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1,692 records · Page 94

On the dissolution of a borosilicate glass with the use of isotopic tracing – Insights into the mechanism for the long-term dissolution rate

An understanding of the mechanisms responsible for controlling the long-term corrosion rate of nuclear waste glass is paramount if reliable glass dissolution models are to be used to calculate the controlled release of radionuclides from nuclear waste glass under geologic disposal conditions. Additionally, understanding silicate glass dissolution is also important for natural glasses to understand the role from the dissolution of these glasses has on the composition of natural aquatic systems. Two general mechanisms appear to be responsible for the elemental release from glass to the surrounding biosphere - ion exchange (release principally of alkalis) and matrix dissolution (release of the structural components of the glass). Key unknowns related to these mechanisms are the impact of surface layers on the altered glass and how these layers participate in corrosion. To better understand the impact of these layers on glass corrosion, we made two glasses of the same elemental composition, but with selected elements enriched in specific isotopes, e.g. more 10 B than 11 B. We reacted these glasses for 1 y then the solutions from each were exchanged and the chemistry of the solutions and the solids were followed for another 2 y and in some cases 3 y. This allowed us to follow changes in the glasses with respect to these elements and how these elements were transported through the alteration layers with time and, for at least one element, into the glass. Results from these experiments demonstrate that the release behavior of different elements is strongly dependent on their structural role in the glass (e.g. network formers and modifiers), but, more importantly, the role of water transport and subsequent ion exchange has in the long-term dissolution of the glass studied here. In this article, we highlight the behavior of four elements: lithium, sodium, silicon, and boron. Lithium and sodium, network modifying elements, have similar chemistries. The behavior of Li could be tracked in more detail by following both 6 Li and 7 Li; Li penetrates through the gel layer in both directions without hinderance and into and released from the glass deeper than sodium. Silicon, a network forming element, reacts with the silica-rich alteration layer. Boron, a network forming element, does not accumulate in the gel or the pristine glass and has a very sharp elemental profile between the pristine glass and alteration layer. Boron, lithium, and sodium elemental profiles suggest that there is little if any transport control within the alteration layer. The correlation between the Li and Na profiles and that of a water species suggest that the limiting release is a steady state between the diffusion of a water species and matrix dissolution that results in a low release rate for alkali and this provides a steady driving force for the long-term dissolution of glass.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development of Novel Non-Pt Group Metal Electrocatalysts for PEM Fuel Cell Applications

The objective of this multi-institutional effort was to comprehensively pursue the goal of eliminating noble metal (Pt group metals, PGM) from the cathodic oxygen reduction reaction (ORR) electrode thereby providing a quantum leap in lowering the overall PGM loading in a polymer electrolyte fuel cell (PEMFC). The overall project scope encompassed (a) comprehensive materials discovery effort, (b) a concomitant effort to scale up these materials with very high ( ±5%) reproducibility, both intra and inter, (c) understanding mass transport in porous medium both in gas diffusion and micro-porous layers for enhanced areal activity, (d) understanding mechanistic aspects of active site structure and ORR electrocatalytic pathway. Overall project milestones and metrics were (a) first phase effort based on performance in oxygen where the project’s Go/No-Go decision point milestone of 100 mA/cm 2 at 0.8 V (internal resistance-free, iR-free) at 80°C, pure H 2 /O 2 , with 1.5 bar total pressure was met. Subsequently, the principle objectives were to (a) transition the project from H 2 /O 2 to H 2 /Air with slated target of exceeding 30 mA/cm 2 @ 0.8 V, 2.5 bar total pressure and an end of the project target of 1 A/cm 2 @ 0.4 V (same total pressure), both under 100% relative humidity. The target for catalyst material scale up was to achieve 100 g batch size at the end of the program. This scale up target had a quality control milestone of less than 5% variation of activity measured with H 2 /Air (2.5 bar total pressure) at 0.8 V. In addition, the project also aimed at arriving at a unified understanding of the nature of active sites in these catalysts as well as some preliminary understanding of the mechanistic pathway. Also addressed is the development of an integrated method for determination of mass transport parameters using a combination of Helox experiments and modeling of the gas diffusion media, especially the micro-porous layer on the gas diffusion electrode (GDE). Detailed aspects of technical metrics and milestones are provided in Table 1 of the final report. Besides the success in meeting the DOE milestones in areal activities for oxygen and air described above one of the key successes of this effort was in understanding the nature of the active site(s) and aspects of the ORR pathway. In this it should be noted that the materials discovery effort provided for use of unconventional approaches, some of which led to very active catalysts. This aspect is described in detail in the final report. From a mechanistic perspective, a combination spectroscopic techniques confirmed that the high activity observed for most pyrolyzed Fe-based catalysts, irrespective of the precursors materials (macrocycles or individual Fe, N, and C precursors), the synthesis method (wet chemical impregnation or SSM), and final Fe-species (with or without inorganic iron species), can mainly be attributed to a single active site: non-planar Fe-N 4 moiety embedded in distorted carbon matrix characterized by a high potential for the Fe 2+/3+ redox transition in acidic electrolyte/environment, which is likely formed via the covalent incorporation of distorted Fe-N4 moieties in the defective centers on the carbon basal plane or in armchair edges of two adjacent graphene layers. This Fe 2+ -N 4 active site at 0.3 V undergoes redox transition to a pentacoordinate HO₋Fe 3+ ₋N 4 at 0.90 V, and the adsorption of the *OH trigged by the Fe 2+ /Fe 3+ redox transition poisons the active sites, thereby providing experimental evidence of the redox mechanism. Moreover, a highly active MOF-based catalyst devoid of any Fe-N moieties was also developed, and the active sites were identified as nitrogen-doped carbon fibers with embedded iron particles that are not directly involved in the oxygen reduction pathway. The high ORR activity and durability of catalysts involving this site in fuel cells are attributed to the high density of active sites and the elimination or reduction of Fenton-type processes. The latter are initiated by hydrogen peroxide but are known to be accelerated by iron ions exposed to the surface, resulting in the formation of damaging free-radicals. We expect that the comprehensive understanding of the synthesis-products correlations, nature of active sites, and the reaction mechanisms acquired here by systematically studying a broad variety of M-N-C materials under in situ conditions will provide guidelines to rational design of this type of non-PGM catalysts.

08 HYDROGEN↗

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren [B. E. Warren, Acta Crystallogr. 6, 803 (1953)]. We compare the predictions of our model with femtosecond x-ray diffraction patterns gathered from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density instrument of the European X-Ray Free-Electron Laser facility and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

Crystal lattices↗

Hypoxia-induced pulmonary arterial hypertension augments lung injury and airway reactivity caused by ozone exposure

Ozone (O{sub 3})-related cardiorespiratory effects are a growing public health concern. Ground level O{sub 3} can exacerbate pre-existing respiratory conditions; however, research regarding therapeutic interventions to reduce O{sub 3}-induced lung injury is limited. In patients with chronic obstructive pulmonary disease, hypoxia-associated pulmonary hypertension (HPH) is a frequent comorbidity that is difficult to treat clinically, yet associated with increased mortality and frequency of exacerbations. In this study, we hypothesized that established HPH would confer vulnerability to acute O{sub 3} pulmonary toxicity. Additionally, we tested whether improvement of pulmonary endothelial barrier integrity via rho-kinase inhibition could mitigate pulmonary inflammation and injury. To determine if O{sub 3} exacerbated HPH, male C57BL/6 mice were subject to either 3 weeks continuous normoxia (20.9% O{sub 2}) or hypoxia (10.0% O{sub 2}), followed by a 4-h exposure to either 1 ppm O{sub 3} or filtered air (FA). As an additional experimental intervention fasudil (20 mg/kg) was administered intraperitoneally prior to and after O{sub 3} exposures. As expected, hypoxia significantly increased right ventricular pressure and hypertrophy. O{sub 3} exposure in normoxic mice caused lung inflammation but not injury, as indicated by increased cellularity and edema in the lung. However, in hypoxic mice, O{sub 3} exposure led to increased inflammation and edema, along with a profound increase in airway hyperresponsiveness to methacholine. Fasudil administration resulted in reduced O{sub 3}-induced lung injury via the enhancement of pulmonary endothelial barrier integrity. These results indicate that increased pulmonary vascular pressure may enhance lung injury, inflammation and edema when exposed to pollutants, and that enhancement of pulmonary endothelial barrier integrity may alleviate such vulnerability. - Highlights: • Environmental exposures can exacerbate chronic obstructive pulmonary disease (COPD). • It is unknown if comorbid pulmonary hypertension may influence such effects in COPD patients. • Pulmonary hypertension in a mouse model significantly exacerbated ozone-induced lung injury. • Adverse ozone outcomes were largely attenuated by a rho kinase inhibitor, fasudil. • Therapeutic benefit from rho kinase inhibition may be related to endothelial barrier integrity.

60 APPLIED LIFE SCIENCES↗

Kinetic corrections from analytic non-Maxwellian distribution functions in magnetized plasmas

In magnetized plasma physics, almost all developed analytic theories assume a Maxwellian distribution function (MDF) and in some cases small deviations are described using the perturbation theory. The deviations with respect to the Maxwellian equilibrium, called kinetic effects, are required to be taken into account especially for fusion reactor plasmas. Generally, because the perturbation theory is not consistent with observed steady-state non-Maxwellians, these kinetic effects are numerically evaluated by very central processing unit (CPU)-expensive codes, avoiding the analytic complexity of velocity phase space integrals. We develop here a new method based on analytic non-Maxwellian distribution functions constructed from non-orthogonal basis sets in order to (i) use as few parameters as possible, (ii) increase the efficiency to model numerical and experimental non-Maxwellians, (iii) help to understand unsolved problems such as diagnostics discrepancies from the physical interpretation of the parameters, and (iv) obtain analytic corrections due to kinetic effects given by a small number of terms and removing the numerical error of the evaluation of velocity phase space integrals. This work does not attempt to derive new physical effects even if it could be possible to discover one from the better understandings of some unsolved problems, but here we focus on the analytic prediction of kinetic corrections from analytic non-Maxwellians. As applications, examples of analytic kinetic corrections are shown for the secondary electron emission, the Langmuir probe characteristic curve, and the entropy. This is done by using three analytic representations of the distribution function: the Kappa distribution function, the bi-modal or a new interpreted non-Maxwellian distribution function (INMDF). The existence of INMDFs is proved by new understandings of the experimental discrepancy of the measured electron temperature between two diagnostics in JET. As main results, it is shown that (i) the empirical formula for the secondary electron emission is not consistent with a MDF due to the presence of super-thermal particles, (ii) the super-thermal particles can replace a diffusion parameter in the Langmuir probe current formula, and (iii) the entropy can explicitly decrease in presence of sources only for the introduced INMDF without violating the second law of thermodynamics. Moreover, the first order entropy of an infinite number of super-thermal tails stays the same as the entropy of a MDF. The latter demystifies the Maxwell's demon by statistically describing non-isolated systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Lithium prevents early cytosolic calcium increase and secondary injurious calcium overload in glycolytically inhibited endothelial cells

Highlights: •We investigate free calcium as a central signalling element in endothelial cells. •Inhibition of glycolysis with 2-deoxy-D-glucose reduces cellular ATP. •This manoeuvre leads to a biphasic increase and overload of free calcium. •Pre-treatment with lithium for 24 h abolishes both phases of the calcium increase. •This provides a new strategy to protect endothelial calcium homeostasis and barrier function. -- Abstract: Cytosolic free calcium concentration ([Ca{sup 2+}]{sub i}) is a central signalling element for the maintenance of endothelial barrier function. Under physiological conditions, it is controlled within narrow limits. Metabolic inhibition during ischemia/reperfusion, however, induces [Ca{sup 2+}]{sub i} overload, which results in barrier failure. In a model of cultured porcine aortic endothelial monolayers (EC), we addressed the question of whether [Ca{sup 2+}]{sub i} overload can be prevented by lithium treatment. [Ca{sup 2+}]{sub i} and ATP were analysed using Fura-2 and HPLC, respectively. The combined inhibition of glycolytic and mitochondrial ATP synthesis by 2-desoxy-D-glucose (5 mM; 2-DG) plus sodium cyanide (5 mM; NaCN) caused a significant decrease in cellular ATP content (14 ± 1 nmol/mg protein vs. 18 ± 1 nmol/mg protein in the control, n = 6 culture dishes, P < 0.05), an increase in [Ca{sup 2+}]{sub i} (278 ± 24 nM vs. 71 ± 2 nM in the control, n = 60 cells, P < 0.05), and the formation of gaps between adjacent EC. These observations indicate that there is impaired barrier function at an early state of metabolic inhibition. Glycolytic inhibition alone by 10 mM 2-DG led to a similar decrease in ATP content (14 ± 2 nmol/mg vs. 18 ± 1 nmol/mg in the control, P < 0.05) with a delay of 5 min. The [Ca{sup 2+}]{sub i} response of EC was biphasic with a peak after 1 min (183 ± 6 nM vs. 71 ± 1 nM, n = 60 cells, P < 0.05) followed by a sustained increase in [Ca{sup 2+}]{sub i}. A 24-h pre-treatment with 10 mM of lithium chloride before the inhibition of ATP synthesis abolished both phases of the 2-DG-induced [Ca{sup 2+}]{sub i} increase. This effect was not observed when lithium chloride was added simultaneously with 2-DG. We conclude that lithium chloride abolishes the injurious [Ca{sup 2+}]{sub i} overload in EC and that this most likely occurs by preventing inositol 3-phosphate-sensitive Ca{sup 2+}-release from the endoplasmic reticulum. Though further research is needed, these findings provide a novel option for therapeutic strategies to protect the endothelium against imminent barrier failure.

60 APPLIED LIFE SCIENCES↗

Fourier Analysis of the Multilevel QD Method with {alpha}-Approximation For Time-Dependent Radiative Transfer Problems

Thermal radiation transfer (TRT) problems describe interaction of photon radiation with matter. They are defined by the time-dependent radiative transfer (RT) equation for the specific intensity I coupled with the energy balance (EB) equation. This class of problems is characterised by high dimensionality, multiple scales and strong nonlinearity. In this paper we analyze the multilevel quasi-diffusion (QD) method for solving TRT problems. This is a nonlinear method of moments with exact closures. The QD method enables one to reduce dimensionality of the original radiative transfer problem. It is formulated by a nonlinear system of equations consisting of (i) the high-order RT (HORT) equation for the intensity of photon radiation and (ii) low-order equations for the angular and energy moments of the intensity. The nonlinear closures are formulated by means of stable factors. The low-order problem brings the radiative transfer model to the level of multi-physics equations. The multilevel QD (MLQD) method possesses attractive features for efficient multi-physics coupling. To calculate the high-order RT solution we apply the {alpha}-approximation which assumes that the intensity changes exponentially in time over a time step. The {alpha}-approximation leads to the steady-state RT equation with a modified opacity and enables one to avoid storing the high-dimensional solution from the previous time step. The rate of change is evaluated by the solution of the time-dependent low-order QD (LOQD) equations for moments. We note that the HORT equation in the {alpha}-approximation contains an extra nonlinear term. It affects the iterative behaviour of the MLQD method. The obtained computational results indicated that the rate of convergence is slower compared to the rate when the time-dependent HORT is used to calculate the intensity. In this paper we perform an iterative stability analysis of the MLQD method in a discretized form and analyze convergence of outer (transport) iterations on a time step. We consider multigroup TRT problems in 1D slab geometry. The fully implicit scheme is used to discretize equations in time. The HORT equation is approximated with the method of step characteristics. A finite volume method is applied for spatial discretization of multigroup LOQD equations. The grey (one-group) LOQD equations are algebraically consistent with the multigroup LOQD equations. To perform Fourier analysis a model TRT problem in an infinite homogeneous medium is considered. The system of nonlinear equations of the MLQD method is linearized near an equilibrium solution at some given temperature. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Cementitious Barriers Partnership (CBP) Software Toolbox Capabilities in Assessing the Degradation of Cementitious Barriers - 13487

The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy (US DOE) Office of Tank Waste and Nuclear Materials Management. The CBP program has developed a set of integrated tools (based on state-of-the-art models and leaching test methods) that help improve understanding and predictions of the long-term structural, hydraulic and chemical performance of cementitious barriers used in nuclear applications. Tools selected for and developed under this program have been used to evaluate and predict the behavior of cementitious barriers used in near-surface engineered waste disposal systems for periods of performance up to 100 years and longer for operating facilities and longer than 1000 years for waste disposal. The CBP Software Toolbox has produced tangible benefits to the DOE Performance Assessment (PA) community. A review of prior DOE PAs has provided a list of potential opportunities for improving cementitious barrier performance predictions through the use of the CBP software tools. These opportunities include: 1) impact of atmospheric exposure to concrete and grout before closure, such as accelerated slag and Tc-99 oxidation, 2) prediction of changes in K{sub d}/mobility as a function of time that result from changing pH and redox conditions, 3) concrete degradation from rebar corrosion due to carbonation, 4) early age cracking from drying and/or thermal shrinkage and 5) degradation due to sulfate attack. The CBP has already had opportunity to provide near-term, tangible support to ongoing DOE-EM PAs such as the Savannah River Saltstone Disposal Facility (SDF) by providing a sulfate attack analysis that predicts the extent and damage that sulfate ingress will have on the concrete vaults over extended time (i.e., > 1000 years). This analysis is one of the many technical opportunities in cementitious barrier performance that can be addressed by the DOE-EM sponsored CBP software tools. Modification of the existing tools can provide many opportunities to bring defense in depth in prediction of the performance of cementitious barriers over time. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A Prodrug Strategy to Conditionally Trap Therapeutic Payloads for Improved Tumor Retention

Altered extracellular proteolysis has been exploited to selectively activate therapeutics in diseases such as cancer; however, once activated, extracellular drugs can diffuse away, limiting efficacy. We address this challenge by coupling proteolytic activation with membrane tethering to retain drugs within diseased tissue. To accomplish this, we developed “restricted interaction peptides” (RIPs), a delivery platform that leverages elevated proteolytic activity to activate membrane-interacting peptides, localizing cargos near the site of proteolysis. We demonstrate that RIPs can deliver diverse therapeutic cargos, including cytotoxins and radioisotopes. As proof of concept, we engineered “FRIP,” a RIP designed for cleavage by fibroblast activation protein (FAP), an endoprotease upregulated in solid tumors and fibrosis. Efficient P4–P4’ substrate sequences were identified and incorporated into FRIPs. Cell-based studies showed that, upon activation, the peptide adhered to membranes rapidly internalized and successfully delivered therapeutic cargos. Consistent with this, FRIPs delivering MMAE inhibited proliferation in an FAP-dependent manner. Imaging studies confirmed tumor targeting with minimal uptake in normal tissues. Finally, FRIPs delivering MMAE or Cu-67 exhibited potent antitumor effects. These findings establish membrane tethering as a strategy to enhance drug retention.

60 APPLIED LIFE SCIENCES↗

An Analytic Formula for Entraining CAPE in Midlatitude Storm Environments

Abstract This article introduces an analytic formula for entraining convective available potential energy (ECAPE) with an entrainment rate that is determined directly from an environmental sounding, rather than prescribed by the formula user. Entrainment is connected to the background environment using an eddy diffusivity approximation for lateral mixing, updraft geometry assumptions, and mass continuity. These approximations result in a direct correspondence between the storm-relative flow and the updraft radius and an inverse scaling between the updraft radius squared and entrainment rate. The aforementioned concepts, combined with the assumption of adiabatic conservation of moist static energy, yield an explicit analytic equation for ECAPE that depends entirely on state variables in an atmospheric profile and a few constant parameters with values that are established in past literature. Using a simplified Bernoulli-like equation, the ECAPE formula is modified to account for updraft enhancement via kinetic energy extracted from the cloud’s background environment. CAPE and ECAPE can be viewed as predictors of the maximum vertical velocity w max in an updraft. Hence, these formulas are evaluated using w max from past numerical modeling studies. Both of the new formulas improve predictions of w max substantially over commonly used diagnostic parameters, including undiluted CAPE and ECAPE with a constant prescribed entrainment rate. The formula that incorporates environmental kinetic energy contribution to the updraft correctly predicts instances of exceedance of by w max , and provides a conceptual explanation for why such exceedance is rare among past simulations. These formulas are potentially useful in nowcasting and forecasting thunderstorms and as thunderstorm proxies in climate change studies. Significance Statement Substantial mixing occurs between the upward-moving air currents in thunderstorms (updrafts) and the surrounding comparatively dry environmental air, through a process called entrainment. Entrainment controls thunderstorm intensity via its diluting effect on the buoyancy of air within updrafts. A challenge to representing entrainment in forecasting and predictions of the intensity of updrafts in future climates is to determine how much entrainment will occur in a given thunderstorm environment without a computationally expensive high-resolution simulation. To address this gap, this article derives a new formula that computes entrainment from the properties of a single environmental profile. This formula is shown to predict updraft vertical velocity more accurately than past diagnostics, and can be used in forecasting and climate prediction to improve predictions of thunderstorm behavior and impacts.

54 ENVIRONMENTAL SCIENCES↗

TU-EF-BRA-00: MR Basics I

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common applications of MRI exploit its capability to detect and image distinct movements of fluids: MR angiography (MRA), which rivals CT angiography but often requires no contrast medium, monitors the bulk flow of blood; functional MRI (f MRI), distinguishes the perfusion of oxygenated blood from that of de-oxygenated, and lights up parts of the brain that are activated by a stimulus, rather like PET; and diffusion tensor imaging (DTI) indicates the diffusion of free water along tracts of axons, thereby bringing nerve trunks into view. There are variants on all of these themes, and on others as well. Magnetic Resonance Spectroscopy (MRS), for example, can perform non-invasive ‘virtual biopsies’ that allow identification of certain cancers and other lesions. And an MRI-guided needle biopsy can sample brain tissue from a region only millimeters in dimensions. MRI, however, involves deeper and more complex aspects of physics, technology, and biology than do most other imaging modalities, and it is widely considered to be correspondingly more difficult to learn. We could probably cover all of this rather comprehensively if we had 50 hours available rather than 2 ̶ but, to paraphrase a former Secretary of Defense, you tell your story in the time you have allotted. The four presenters and another physicist, Kevin King from GE, have combined their efforts to co-author a single slide show that describes essentials of MRI as simply as possible. It is obviously far from thorough, but hopefully it will succeed in explaining some of the basics in a simplified but still valid fashion; in providing a taste of the numerous capabilities and complexities of the modality; and in whetting your appetite to learn more. Part I. NMR, and Proton Density MRI of the 1D Patient (Wolbarst), begins with an introductory case study that illustrates a half dozen ways in which MRI provides valuable clinical information. It then explores the nuclear magnetic resonance (NMR) phenomenon, which underlies MRI. NMR can be introduced with either of two approaches. In the first, one thinks (loosely) of the nuclei of hydrogen atoms as (rotating and charged and therefore) magnetic objects, whose spin-axes tend to align in a strong external magnetic field, much like a compass needle. As with the Bohr atom, this spin-up/spin-down picture is a highly abridged version of the full quantum mechanical treatment, but still it leads to some useful, legitimate pictures of the NMR process occurring within a voxel: When RF photons of the correct (Larmor) frequency elevate protons in a fixed magnetic field out of their lower-energy spin state into the upper, the NMR phenomenon is indicated by the detectable absorption of RF power. With the addition of a linear gradient field along a multi-voxel, one-dimensional patient/phantom, as well, we can determine the water content of each compartment – an example of a real MRI study, albeit in 1D. Part I concludes with a discussion of the net magnetization at position x, m0(x), under conditions of dynamic thermal equilibrium, which leads into: Part II. Net Voxel Magnetization, m(x,t); T1-MRI; The MRI Device (Lemen), investigates the biophysics of the form of proton spin relaxation process characterized by the time T1. It then moves on to the creation of an MR image that displays the spatial variation in the values of this clinically relevant parameter, again in 1D. Finally, the design and workings of a clinical MRI machine are sketched, in preparation for: Part III. ‘Classical’ NMR; FID Imaging in 1D via k-Space (Yanasak) presents the second standard approach to NMR and MRI, the classical model. It focuses on the time dependence of the net nuclear magnetization, m(x,t), the overall magnetic field generated by the cohort of protons in the voxel at position x. Quite remarkably, this nuclear net magnetization itself acts in a strong magnetic field like a gyroscope in a gravitational field. This tack is better for explaining Free Induction Decay (FID), which involves a brief introduction to the Fourier transform and k-space. This leads to conventional Spin-Echo (S-E) reconstruction techniques for creating clinical images from raw data, and sets the stage for: Part IV. Spin-Echo; S-E / Spin Warp in a 2D Slice (Price) discusses application of the S- E sequence of radiofrequency pulses and gradient magnetic fields to the 1D patient. T2 is introduced but not explained. This Part also considers how to manipulate the image acquisition parameters so as to generate clinical pictures with contrast dominated by spatial variations in PD, T1, or T2. We conclude by demonstrating the spin-warp approach to imaging in 2D with a simple 2×2, 4-voxel example. Much of this material is presented in more detail in the chapter “MRI of the One-dimensional Patient, Part I”, in Advances in Medical Physics, Vol 5 (2014). Copies are on display at the Medical Physics Publishing booth. Learning Objectives: The participant will learn about the processes of NMR and T1 spin relaxation in a tissue voxel in a uniform magnetic field. The participant will learn about combining spin-up/spin-down NMR and T1 processes with a linear gradient to effect frequency-encoding of voxel spatial position. This approach can be used to create proton density and T1 MRI maps, respectively, of the contents of multi-voxel 1D phantoms. The participant will learn about how the ‘classical’ model of NMR it can generate Free Induction Decay (FID) images of 1D phantoms, which involves the use of the Fourier transform in k-space. This can lead simply into standard Spin-Echo images. The participant will learn about extending Spin-Echo imaging into 2 and more dimensions.

60 APPLIED LIFE SCIENCES↗

TU-EF-BRA-01: NMR and Proton Density MRI of the 1D Patient

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common applications of MRI exploit its capability to detect and image distinct movements of fluids: MR angiography (MRA), which rivals CT angiography but often requires no contrast medium, monitors the bulk flow of blood; functional MRI ( f MRI), distinguishes the perfusion of oxygenated blood from that of de-oxygenated, and lights up parts of the brain that are activated by a stimulus, rather like PET; and diffusion tensor imaging (DTI) indicates the diffusion of free water along tracts of axons, thereby bringing nerve trunks into view. There are variants on all of these themes, and on others as well. Magnetic Resonance Spectroscopy (MRS), for example, can perform non-invasive ‘virtual biopsies’ that allow identification of certain cancers and other lesions. And an MRI-guided needle biopsy can sample brain tissue from a region only millimeters in dimensions. MRI, however, involves deeper and more complex aspects of physics, technology, and biology than do most other imaging modalities, and it is widely considered to be correspondingly more difficult to learn. We could probably cover all of this rather comprehensively if we had 50 hours available rather than 2 ̶ but, to paraphrase a former Secretary of Defense, you tell your story in the time you have allotted. The four presenters and another physicist, Kevin King from GE, have combined their efforts to co-author a single slide show that describes essentials of MRI as simply as possible. It is obviously far from thorough, but hopefully it will succeed in explaining some of the basics in a simplified but still valid fashion; in providing a taste of the numerous capabilities and complexities of the modality; and in whetting your appetite to learn more. Part I. NMR, and Proton Density MRI of the 1D Patient (Wolbarst), begins with an introductory case study that illustrates a half dozen ways in which MRI provides valuable clinical information. It then explores the nuclear magnetic resonance (NMR) phenomenon, which underlies MRI. NMR can be introduced with either of two approaches. In the first, one thinks (loosely) of the nuclei of hydrogen atoms as (rotating and charged and therefore) magnetic objects, whose spin-axes tend to align in a strong external magnetic field, much like a compass needle. As with the Bohr atom, this spin-up/spin-down picture is a highly abridged version of the full quantum mechanical treatment, but still it leads to some useful, legitimate pictures of the NMR process occurring within a voxel: When RF photons of the correct (Larmor) frequency elevate protons in a fixed magnetic field out of their lower-energy spin state into the upper, the NMR phenomenon is indicated by the detectable absorption of RF power. With the addition of a linear gradient field along a multi-voxel, one-dimensional patient/phantom, as well, we can determine the water content of each compartment – an example of a real MRI study, albeit in 1D. Part I concludes with a discussion of the net magnetization at position x, m0(x), under conditions of dynamic thermal equilibrium, which leads into: Part II. Net Voxel Magnetization, m(x,t); T1-MRI; The MRI Device (Lemen), investigates the biophysics of the form of proton spin relaxation process characterized by the time T1. It then moves on to the creation of an MR image that displays the spatial variation in the values of this clinically relevant parameter, again in 1D. Finally, the design and workings of a clinical MRI machine are sketched, in preparation for: Part III. ‘Classical’ NMR; FID Imaging in 1D via k-Space (Yanasak) presents the second standard approach to NMR and MRI, the classical model. It focuses on the time dependence of the net nuclear magnetization, m(x,t), the overall magnetic field generated by the cohort of protons in the voxel at position x. Quite remarkably, this nuclear net magnetization itself acts in a strong magnetic field like a gyroscope in a gravitational field. This tack is better for explaining Free Induction Decay (FID), which involves a brief introduction to the Fourier transform and k-space. This leads to conventional Spin-Echo (S-E) reconstruction techniques for creating clinical images from raw data, and sets the stage for: Part IV. Spin-Echo; S-E / Spin Warp in a 2D Slice (Price) discusses application of the S- E sequence of radiofrequency pulses and gradient magnetic fields to the 1D patient. T2 is introduced but not explained. This Part also considers how to manipulate the image acquisition parameters so as to generate clinical pictures with contrast dominated by spatial variations in PD, T1, or T2. We conclude by demonstrating the spin-warp approach to imaging in 2D with a simple 2×2, 4-voxel example. Much of this material is presented in more detail in the chapter “MRI of the One-dimensional Patient, Part I”, in Advances in Medical Physics, Vol 5 (2014). Copies are on display at the Medical Physics Publishing booth. Learning Objectives: The participant will learn about the processes of NMR and T1 spin relaxation in a tissue voxel in a uniform magnetic field. The participant will learn about combining spin-up/spin-down NMR and T1 processes with a linear gradient to effect frequency-encoding of voxel spatial position. This approach can be used to create proton density and T1 MRI maps, respectively, of the contents of multi-voxel 1D phantoms. The participant will learn about how the ‘classical’ model of NMR it can generate Free Induction Decay (FID) images of 1D phantoms, which involves the use of the Fourier transform in k-space. This can lead simply into standard Spin-Echo images. The participant will learn about extending Spin-Echo imaging into 2 and more dimensions.

60 APPLIED LIFE SCIENCES↗

TU-EF-BRA-02: Longitudinal Proton Spin Relaxation and T1-Imaging

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common applications of MRI exploit its capability to detect and image distinct movements of fluids: MR angiography (MRA), which rivals CT angiography but often requires no contrast medium, monitors the bulk flow of blood; functional MRI ( f MRI), distinguishes the perfusion of oxygenated blood from that of de-oxygenated, and lights up parts of the brain that are activated by a stimulus, rather like PET; and diffusion tensor imaging (DTI) indicates the diffusion of free water along tracts of axons, thereby bringing nerve trunks into view. There are variants on all of these themes, and on others as well. Magnetic Resonance Spectroscopy (MRS), for example, can perform non-invasive ‘virtual biopsies’ that allow identification of certain cancers and other lesions. And an MRI-guided needle biopsy can sample brain tissue from a region only millimeters in dimensions. MRI, however, involves deeper and more complex aspects of physics, technology, and biology than do most other imaging modalities, and it is widely considered to be correspondingly more difficult to learn. We could probably cover all of this rather comprehensively if we had 50 hours available rather than 2 ̶ but, to paraphrase a former Secretary of Defense, you tell your story in the time you have allotted. The four presenters and another physicist, Kevin King from GE, have combined their efforts to co-author a single slide show that describes essentials of MRI as simply as possible. It is obviously far from thorough, but hopefully it will succeed in explaining some of the basics in a simplified but still valid fashion; in providing a taste of the numerous capabilities and complexities of the modality; and in whetting your appetite to learn more. Part I. NMR, and Proton Density MRI of the 1D Patient (Wolbarst), begins with an introductory case study that illustrates a half dozen ways in which MRI provides valuable clinical information. It then explores the nuclear magnetic resonance (NMR) phenomenon, which underlies MRI. NMR can be introduced with either of two approaches. In the first, one thinks (loosely) of the nuclei of hydrogen atoms as (rotating and charged and therefore) magnetic objects, whose spin-axes tend to align in a strong external magnetic field, much like a compass needle. As with the Bohr atom, this spin-up/spin-down picture is a highly abridged version of the full quantum mechanical treatment, but still it leads to some useful, legitimate pictures of the NMR process occurring within a voxel: When RF photons of the correct (Larmor) frequency elevate protons in a fixed magnetic field out of their lower-energy spin state into the upper, the NMR phenomenon is indicated by the detectable absorption of RF power. With the addition of a linear gradient field along a multi-voxel, one-dimensional patient/phantom, as well, we can determine the water content of each compartment – an example of a real MRI study, albeit in 1D. Part I concludes with a discussion of the net magnetization at position x, m0(x), under conditions of dynamic thermal equilibrium, which leads into: Part II. Net Voxel Magnetization, m(x,t); T1-MRI; The MRI Device (Lemen), investigates the biophysics of the form of proton spin relaxation process characterized by the time T1. It then moves on to the creation of an MR image that displays the spatial variation in the values of this clinically relevant parameter, again in 1D. Finally, the design and workings of a clinical MRI machine are sketched, in preparation for: Part III. ‘Classical’ NMR; FID Imaging in 1D via k-Space (Yanasak) presents the second standard approach to NMR and MRI, the classical model. It focuses on the time dependence of the net nuclear magnetization, m(x,t), the overall magnetic field generated by the cohort of protons in the voxel at position x. Quite remarkably, this nuclear net magnetization itself acts in a strong magnetic field like a gyroscope in a gravitational field. This tack is better for explaining Free Induction Decay (FID), which involves a brief introduction to the Fourier transform and k-space. This leads to conventional Spin-Echo (S-E) reconstruction techniques for creating clinical images from raw data, and sets the stage for: Part IV. Spin-Echo; S-E / Spin Warp in a 2D Slice (Price) discusses application of the S- E sequence of radiofrequency pulses and gradient magnetic fields to the 1D patient. T2 is introduced but not explained. This Part also considers how to manipulate the image acquisition parameters so as to generate clinical pictures with contrast dominated by spatial variations in PD, T1, or T2. We conclude by demonstrating the spin-warp approach to imaging in 2D with a simple 2×2, 4-voxel example. Much of this material is presented in more detail in the chapter “MRI of the One-dimensional Patient, Part I”, in Advances in Medical Physics, Vol 5 (2014). Copies are on display at the Medical Physics Publishing booth. Learning Objectives: The participant will learn about the processes of NMR and T1 spin relaxation in a tissue voxel in a uniform magnetic field. The participant will learn about combining spin-up/spin-down NMR and T1 processes with a linear gradient to effect frequency-encoding of voxel spatial position. This approach can be used to create proton density and T1 MRI maps, respectively, of the contents of multi-voxel 1D phantoms. The participant will learn about how the ‘classical’ model of NMR it can generate Free Induction Decay (FID) images of 1D phantoms, which involves the use of the Fourier transform in k-space. This can lead simply into standard Spin-Echo images. The participant will learn about extending Spin-Echo imaging into 2 and more dimensions.

60 APPLIED LIFE SCIENCES↗

TU-EF-BRA-03: Free Induction Decay (without the Decay) and Spin-Echo Imaging

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common applications of MRI exploit its capability to detect and image distinct movements of fluids: MR angiography (MRA), which rivals CT angiography but often requires no contrast medium, monitors the bulk flow of blood; functional MRI ( f MRI), distinguishes the perfusion of oxygenated blood from that of de-oxygenated, and lights up parts of the brain that are activated by a stimulus, rather like PET; and diffusion tensor imaging (DTI) indicates the diffusion of free water along tracts of axons, thereby bringing nerve trunks into view. There are variants on all of these themes, and on others as well. Magnetic Resonance Spectroscopy (MRS), for example, can perform non-invasive ‘virtual biopsies’ that allow identification of certain cancers and other lesions. And an MRI-guided needle biopsy can sample brain tissue from a region only millimeters in dimensions. MRI, however, involves deeper and more complex aspects of physics, technology, and biology than do most other imaging modalities, and it is widely considered to be correspondingly more difficult to learn. We could probably cover all of this rather comprehensively if we had 50 hours available rather than 2 ̶ but, to paraphrase a former Secretary of Defense, you tell your story in the time you have allotted. The four presenters and another physicist, Kevin King from GE, have combined their efforts to co-author a single slide show that describes essentials of MRI as simply as possible. It is obviously far from thorough, but hopefully it will succeed in explaining some of the basics in a simplified but still valid fashion; in providing a taste of the numerous capabilities and complexities of the modality; and in whetting your appetite to learn more. Part I. NMR, and Proton Density MRI of the 1D Patient (Wolbarst), begins with an introductory case study that illustrates a half dozen ways in which MRI provides valuable clinical information. It then explores the nuclear magnetic resonance (NMR) phenomenon, which underlies MRI. NMR can be introduced with either of two approaches. In the first, one thinks (loosely) of the nuclei of hydrogen atoms as (rotating and charged and therefore) magnetic objects, whose spin-axes tend to align in a strong external magnetic field, much like a compass needle. As with the Bohr atom, this spin-up/spin-down picture is a highly abridged version of the full quantum mechanical treatment, but still it leads to some useful, legitimate pictures of the NMR process occurring within a voxel: When RF photons of the correct (Larmor) frequency elevate protons in a fixed magnetic field out of their lower-energy spin state into the upper, the NMR phenomenon is indicated by the detectable absorption of RF power. With the addition of a linear gradient field along a multi-voxel, one-dimensional patient/phantom, as well, we can determine the water content of each compartment – an example of a real MRI study, albeit in 1D. Part I concludes with a discussion of the net magnetization at position x, m0(x), under conditions of dynamic thermal equilibrium, which leads into: Part II. Net Voxel Magnetization, m(x,t); T1-MRI; The MRI Device (Lemen), investigates the biophysics of the form of proton spin relaxation process characterized by the time T1. It then moves on to the creation of an MR image that displays the spatial variation in the values of this clinically relevant parameter, again in 1D. Finally, the design and workings of a clinical MRI machine are sketched, in preparation for: Part III. ‘Classical’ NMR; FID Imaging in 1D via k-Space (Yanasak) presents the second standard approach to NMR and MRI, the classical model. It focuses on the time dependence of the net nuclear magnetization, m(x,t), the overall magnetic field generated by the cohort of protons in the voxel at position x. Quite remarkably, this nuclear net magnetization itself acts in a strong magnetic field like a gyroscope in a gravitational field. This tack is better for explaining Free Induction Decay (FID), which involves a brief introduction to the Fourier transform and k-space. This leads to conventional Spin-Echo (S-E) reconstruction techniques for creating clinical images from raw data, and sets the stage for: Part IV. Spin-Echo; S-E / Spin Warp in a 2D Slice (Price) discusses application of the S- E sequence of radiofrequency pulses and gradient magnetic fields to the 1D patient. T2 is introduced but not explained. This Part also considers how to manipulate the image acquisition parameters so as to generate clinical pictures with contrast dominated by spatial variations in PD, T1, or T2. We conclude by demonstrating the spin-warp approach to imaging in 2D with a simple 2×2, 4-voxel example. Much of this material is presented in more detail in the chapter “MRI of the One-dimensional Patient, Part I”, in Advances in Medical Physics, Vol 5 (2014). Copies are on display at the Medical Physics Publishing booth. Learning Objectives: The participant will learn about the processes of NMR and T1 spin relaxation in a tissue voxel in a uniform magnetic field. The participant will learn about combining spin-up/spin-down NMR and T1 processes with a linear gradient to effect frequency-encoding of voxel spatial position. This approach can be used to create proton density and T1 MRI maps, respectively, of the contents of multi-voxel 1D phantoms. The participant will learn about how the ‘classical’ model of NMR it can generate Free Induction Decay (FID) images of 1D phantoms, which involves the use of the Fourier transform in k-space. This can lead simply into standard Spin-Echo images. The participant will learn about extending Spin-Echo imaging into 2 and more dimensions.

60 APPLIED LIFE SCIENCES↗

TU-EF-BRA-04: Into 2, 3, and 4 Dimensions

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common applications of MRI exploit its capability to detect and image distinct movements of fluids: MR angiography (MRA), which rivals CT angiography but often requires no contrast medium, monitors the bulk flow of blood; functional MRI ( f MRI), distinguishes the perfusion of oxygenated blood from that of de-oxygenated, and lights up parts of the brain that are activated by a stimulus, rather like PET; and diffusion tensor imaging (DTI) indicates the diffusion of free water along tracts of axons, thereby bringing nerve trunks into view. There are variants on all of these themes, and on others as well. Magnetic Resonance Spectroscopy (MRS), for example, can perform non-invasive ‘virtual biopsies’ that allow identification of certain cancers and other lesions. And an MRI-guided needle biopsy can sample brain tissue from a region only millimeters in dimensions. MRI, however, involves deeper and more complex aspects of physics, technology, and biology than do most other imaging modalities, and it is widely considered to be correspondingly more difficult to learn. We could probably cover all of this rather comprehensively if we had 50 hours available rather than 2 ̶ but, to paraphrase a former Secretary of Defense, you tell your story in the time you have allotted. The four presenters and another physicist, Kevin King from GE, have combined their efforts to co-author a single slide show that describes essentials of MRI as simply as possible. It is obviously far from thorough, but hopefully it will succeed in explaining some of the basics in a simplified but still valid fashion; in providing a taste of the numerous capabilities and complexities of the modality; and in whetting your appetite to learn more. Part I. NMR, and Proton Density MRI of the 1D Patient (Wolbarst), begins with an introductory case study that illustrates a half dozen ways in which MRI provides valuable clinical information. It then explores the nuclear magnetic resonance (NMR) phenomenon, which underlies MRI. NMR can be introduced with either of two approaches. In the first, one thinks (loosely) of the nuclei of hydrogen atoms as (rotating and charged and therefore) magnetic objects, whose spin-axes tend to align in a strong external magnetic field, much like a compass needle. As with the Bohr atom, this spin-up/spin-down picture is a highly abridged version of the full quantum mechanical treatment, but still it leads to some useful, legitimate pictures of the NMR process occurring within a voxel: When RF photons of the correct (Larmor) frequency elevate protons in a fixed magnetic field out of their lower-energy spin state into the upper, the NMR phenomenon is indicated by the detectable absorption of RF power. With the addition of a linear gradient field along a multi-voxel, one-dimensional patient/phantom, as well, we can determine the water content of each compartment – an example of a real MRI study, albeit in 1D. Part I concludes with a discussion of the net magnetization at position x, m0(x), under conditions of dynamic thermal equilibrium, which leads into: Part II. Net Voxel Magnetization, m(x,t); T1-MRI; The MRI Device (Lemen), investigates the biophysics of the form of proton spin relaxation process characterized by the time T1. It then moves on to the creation of an MR image that displays the spatial variation in the values of this clinically relevant parameter, again in 1D. Finally, the design and workings of a clinical MRI machine are sketched, in preparation for: Part III. ‘Classical’ NMR; FID Imaging in 1D via k-Space (Yanasak) presents the second standard approach to NMR and MRI, the classical model. It focuses on the time dependence of the net nuclear magnetization, m(x,t), the overall magnetic field generated by the cohort of protons in the voxel at position x. Quite remarkably, this nuclear net magnetization itself acts in a strong magnetic field like a gyroscope in a gravitational field. This tack is better for explaining Free Induction Decay (FID), which involves a brief introduction to the Fourier transform and k-space. This leads to conventional Spin-Echo (S-E) reconstruction techniques for creating clinical images from raw data, and sets the stage for: Part IV. Spin-Echo; S-E / Spin Warp in a 2D Slice (Price) discusses application of the S- E sequence of radiofrequency pulses and gradient magnetic fields to the 1D patient. T2 is introduced but not explained. This Part also considers how to manipulate the image acquisition parameters so as to generate clinical pictures with contrast dominated by spatial variations in PD, T1, or T2. We conclude by demonstrating the spin-warp approach to imaging in 2D with a simple 2×2, 4-voxel example. Much of this material is presented in more detail in the chapter “MRI of the One-dimensional Patient, Part I”, in Advances in Medical Physics, Vol 5 (2014). Copies are on display at the Medical Physics Publishing booth. Learning Objectives: The participant will learn about the processes of NMR and T1 spin relaxation in a tissue voxel in a uniform magnetic field. The participant will learn about combining spin-up/spin-down NMR and T1 processes with a linear gradient to effect frequency-encoding of voxel spatial position. This approach can be used to create proton density and T1 MRI maps, respectively, of the contents of multi-voxel 1D phantoms. The participant will learn about how the ‘classical’ model of NMR it can generate Free Induction Decay (FID) images of 1D phantoms, which involves the use of the Fourier transform in k-space. This can lead simply into standard Spin-Echo images. The participant will learn about extending Spin-Echo imaging into 2 and more dimensions.

60 APPLIED LIFE SCIENCES↗

SE2-ANL Subchannel Analysis with New Heating Calculation Based on VARIANT Transport Code

The multi-assembly, steady-state sub-channel analysis code SE2-ANL has been widely used in thermal-hydraulic analysis of sodium cooled fast reactors (SFR). It is used to compute the core-wide temperature profiles for a given flow distribution and to determine the assembly flow rates yielding a desired (assembly-wise) peak temperature distribution. It is a modified version of SUPERENERGY-2 coupled with the DIF3D/GAMSOR/DIF3D procedure for coupled neutron and gamma heating calculations, developed at Argonne National Laboratory (ANL). In the current version of SE2-ANL, the neutron and gamma fluxes are calculated using the finite-difference diffusion theory option of the DIF3D code with six triangular meshes per hexagonal assembly. In addition, the pin power distributions are estimated by assuming that the power distribution within an assembly is separable in the radial and axial directions. Furthermore, the total heat generation rate in an assembly duct wall is simply determined by a user-specified fraction of the total gamma heating within that assembly. In order to determine the pin power distributions more accurately by eliminating these limitations, a new coupled heating calculation procedure has recently developed based on the neutron and gamma transport calculations with the VARIANT code. For this, the GAMSOR code has been extended to generate the intra-nodal gamma source distribution to be consistent with the trial functions of VARIANT. Using the computed neutron and gamma flux distributions, the power distribution in each fuel pin and duct wall is determined using a new utility code CURVE, which has been developed to evaluate the VARIANT flux solution at the center of each fuel pin and along the duct mid-wall. For each pin segment contained in a VARIANT node, the axial power shape is represented as a quadratic profile. The SE2-ANL code has been modified to interface with the new, coupled neutron and gamma heating calculation scheme. In addition, several improvements have been made on the computational methods and models of SE2-ANL. To eliminate the limit on the axial mesh size due to the numerical instability problem of the current explicit scheme, the numerical scheme for discretizing the energy equation in the axial direction has been changed to the {theta}-method of the SLTHEN code. An automated flow allocation scheme has also been implemented in SE2-ANL to determine assembly flow rates such that the peak cladding mid-wall temperatures of individual orifice zones are equalized over the burn cycle. The impacts of the new heating calculation scheme based on VARIANT transport solutions on the cladding and fuel temperatures have been tested against the existing method of SE2-ANL. Using the existing and new heating calculation schemes, full-core subchannel analyses were performed for the metal core design of the 1000 MWt Advanced Burner Reactor (ABR-1000), and the resulting coolant, cladding and fuel temperatures were compared. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Public-Private-Academic Partnership to Advance Solar Power Forecasting

Executive Summary NOAA is making major contributions to the solar forecasting project in three areas. First, it is improving its forecasts of solar irradiance, clouds, and aerosols in its numerical weather prediction models. Second, it is providing advanced satellite products for DOE's FOA awardees to use in their forecast systems. Third, it is using high-quality ground-based measurements from SURFRAD and ISIS stations to verify and validate forecast model output. This reports covers results from all three areas for the period May 1, 2014 - April 30, 2015. Modeling In its modeling effort, NOAA continues work to improve the skill of solar forecasts from the Earth System Research Lab (ESRL) research versions of the 13-km Rapid Refresh (RAP) and the 3-km High-Resolution Rapid Refresh (HRRR) models, which are in turn transitioned into operations at the National Centers for Environmental Prediction (NCEP). A major milestone was achieved in September 2014 with the initial operational implementation of the HRRR at NCEP. In the ESRL research versions of the models, testing and development, in both real-time runs and retrospective experiments, is guided by an extensive in-house verification system. Early in the SFIP project, we developed the capability to verify our model forecasts against the high-quality surface radiation measurements from the SURFRAD and ISIS networks. This highlighted some shortcomings with the RAP and HRRR forecasts of incoming shortwave radiation. Most of our effort during Phase 1 of SFIP was focused on addressing these problems with a variety of model system improvements. The RAP and HRRR models during the warm season of 2014 had a noticeable warm and dry bias in near-surface conditions over most of the central and eastern United States, and our new SURFRAD/ISIS verification revealed that there was also a large excess of incoming global horizontal irradiance in the models. We hypothesized that a lack of cloud cover (particularly low-level cloud cover) in the models was resulting in too much heating of the land surface. This, in turn, caused unrealistically strong surface heat fluxes and turbulent mixing in the planetary boundary layer (PBL), which further reduced the already deficient cloud cover. We addressed these issues with a combination of data assimilation system modifications and model physics improvements. Many of our data assimilation changes were made with a view towards improving the near-term representation of clouds and precipitation. One of these changes involved better accounting for regions of weak reflectivity in the RAP cloud / hydrometeor assimilation system, in order to improve the representation of light precipitation in the RAP initial conditions and provide more realistic initial cloud cover. Additional modifications more accurately accounted for radar beam blockage and data gaps (particularly in the western United States), which improves shorter lead times forecasts of clouds and precipitation. We have also tested the assimilation of new data sources within the RAP and the HRRR, including radar radial velocity data and surface mesonet observations. Within the HRRR, we have tested the cycling of the 3-km land surface fields to allow a higher-resolution treatment of land surface processes. In terms of model physics development for SFIP, we have implemented a shallow cumulus scheme within the RAP, and have made numerous improvements to the Mellor-Yamada-Nakanishi-Niino (MYNN) PBL scheme to address insufficient low-level cloud cover in the models. We have conducted tests incorporating the radiation effects of (parameterized) boundary-layer clouds within the modified MYNN PBL scheme (independent of the convective schemes). The Grell-Freitas-Olson shallow cumulus scheme has also been tested within the 3-km HRRR. Finally, we have also modified the RUC land surface model (LSM) treatment of the vegetation wilting point, reducing it to increase evapotranspiration and increase cloud cover in the boundary layer. All of these changes work in tandem to significantly improve the model forecasts of cloud cover, incoming shortwave radiation, and near-surface temperature and moisture. Satellite The role of NOAA/NESDIS in the Solar Forecasting Improvement Project is to provide Advanced Satellite Products (ASPs) for the two forecasting teams at NCAR and IBM. The ASPs are cloud, surface, and atmosphere products derived from geostationary satellite imagery at the highest possible spatial and temporal resolution - such quantities as cloud mask, cloud probability, cloud transmission, cloud top height, cloud top temperature, cloud effective particle size, etc. Ancillary data, such as elevation and numerical weather prediction fields are provided in the files at the same resolution as well. There are at this time 147 different variables in the ASP output, including quality flags and processing information. The main goals for Year 1 of the project were to implement an Advanced Satellite Products system for the use of the IBM and NCAR teams, begin validation, and make any needed changes based on feedback from the teams. ASP files are being produced every GOES Imager acquisition, which occur on a 15-30 minute schedule. Processing is done on a dedicated computer, with a turn-around time of 8-21 minutes from image acquisition to results available on ftp. Several helpful visualizations of the data are also created for users on web pages. Users have been provided with a document titled "User's Guide for 1km Cloud Products Derived from GOES Imager Data using CLAVR-x", which discusses the basics of the source imagery, the process by which it is turned into Advanced Satellite Products, and considerations users should make when using the data. Validation of selected variables from the older 4km version of the products was also included. Future work will concentrate on validation of the 1km products and improving the turn-around time, product variety, and product quality as needed. Ground Observations In the ground-based measurement effort, NOAA's main objectives are to provide high quality radiation products for validation and verification of short-term to day-ahead solar forecasts. More specifically for the three year project, our goals include (1) Maintaining and providing data from our 7 SURFRAD and 7 ISIS; (2) Update ISIS radiation measurements from 3 min to 1 min data: (3) Purchase and install new pyrheliometers for direct solar irradiance measurements at the 7 SURFRAD sites; (4) Building, testing, and deploying two mobile SURFRAD stations at two utility plants in collaboration with DOE sponsored partners, and includes ongoing maintenance and processing of the data at the mobile sites; (5) Upgrading the data acquisition and communications at 7 SURFRAD sites and 7 ISIS sites; (6) Providing radiation data at the 7 SURFRAD sites in near real-time; (7) Develop and provide aerosol optical depth and cloud images and cloud fraction at our two mobile sites; (8) Provide data recovery rates each year; (9) Provide temporally and spatially averaged radiation products for comparison to HRRR and RAP solar forecasts and advanced satellite products; (10) Provide a data-set for analysis of conversion of direct and diffuse to sloped surfaces; (11) and as time permits develop and provide spectral solar irradiance, cloud optical depth and spectral albedo from the mobile sites. Milestones this year include working with the DOE sponsored teams to find locations to deploy two mobile SURFRAD stations. One existing unit was deployed at a 30MW PV facility in the San Luis Valley in collaboration with Xcel and the NCAR team in August, 2014. The second unit was built and tested at our facilities in Boulder, CO and deployed near Green Mountain Power's Education Center in Rutland, VT in collaboration with Green Mountain Power and the IBM Team in October, 2014. Data processing was implemented and the radiation data from these two mobile sites have been made available on our ftp server in near real-time. We also are providing images and cloud fraction from the TSI cameras for these two mobile sites on our ftp site. Another milestone was upgrading our data acquisition and communication systems at 7 SURFRAD and 7 ISIS sites. We accelerated our schedule for these upgrades to provide timely radiation products. These upgrades allow more reliable and near-real time radiation data delivery to the DOE sponsored teams to meet their goals. Lastly, we changed the data rate at the ISIS sites from 3 min to 1 min.

14 SOLAR ENERGY↗

Ultra-fast Boriding for Improved Energy Efficiency and Reduced Emissions in Materials Processing Industries (Final Report)

High-temperature treatment processes (such as nitriding, carburizing, and boronizing) are well-established and used widely by numerous industrial sectors to achieve superior mechanical and tribological properties on all kinds of engineering components made out of ferrous materials. Unfortunately, these traditional processes are very slow and energy intensive, and they produce large amounts of CO 2 emissions and liquid/solid wastes to deal with during and after each process run. From economic and environmental points of views, it is highly desirable to develop and implement novel surface treatment technologies that are quick, cheap, clean, and energy efficient. The main objective of this project was to develop an industrial-scale ultra-fast boriding process that realizes all of these desirable attributes. The other objectives of the project were to demonstrate the superior performance, properties, and durability of borided surfaces under relevant test conditions and to transfer optimized technology to industry for large-scale practice. Major research activities included process design, modeling, product optimization, and scale-up. This project has achieved all of its stated objectives, and the industrial-scale boriding process has been successfully transferred to industry. Specifically, all of the original tasks have been completed, and the milestones have been met by scaling up from a small proof-of-concept system (which could only handle about 0.25 kg melt) to a commercial-scale boriding unit that can handle up to 4,000 kg melt. Mechanical and tribological testing of borided test samples and industrial parts has also been carried out, and their superior performance over a broad range of test conditions has been validated. With the large-scale, ultra-fast boriding process, we could achieve thick, hard, and uniform boride layers on all kinds of steel components, even after only 5 min of treatment time. We could also attain excellent uniformity in thickness over the entire exposed surfaces — even in the very sharp corners or interior sections of odd-shaped workpieces. Boriding of numerous nonferrous materials was also demonstrated, and thick boride layers (up to 300 µm in thickness) were achieved on their outer surfaces. With the use of a large-scale boriding unit at Argonne National Laboratory, our research team has successfully treated large numbers of industrial components in a batch-to-batch operation without creating any in-house gaseous emissions or producing solid and/or liquid wastes. With the use of this large unit, our team achieved surface hardness values of 15 to 45 GPa, depending on the type of metal or alloy being treated. The thick boride layers attained on steel components consisted of FeB, Fe 2 B, and Fe 3 B phases, and their hardness values ranged from 16 to 22 GPa. Layers consisting of Fe 2 B phase alone are also possible with this process, and in the case of nonferrous materials. Overall, because of the much superior property and performance improvements in treated products, much lower energy consumption, and nearly zero environmental waste and emissions, the demonstrated boriding technology may find broad applications in many cross-cutting industries. Mechanical wear, abrasion, erosion, corrosion, and scuffing are often life-limiting factors in mechanical systems that are used in manufacturing, transportation, aerospace, agricultural, earth-moving, and mining equipment; but the machine components treated by ultra-fast boriding can effectively prevent such degradations. In this project, the ultra-fast boriding was proven to be most ideal for the treatment of iron and many other ferrous alloys, like stainless steel. We have shown through our experimental studies that our method can also be used for the treatment of many nonferrous metals and alloys. In the case of superalloys and Ni 3 Al intermetallic materials, more than a 300-µm thick boride layer can be achieved with our boriding furnace within 15 to 30 min (which results in five times the hardness of the base materials). Pre-carburized steels and nonferrous alloys can also be treated by the new boriding technique. Overall, very thick (more than a quarter millimeter) and hard surface layers produced by ultra-fast boriding are expected to have a positive impact on the performance and durability of all types of machine components that are subject to corrosive, erosive, abrasive, and adhesive wear. Since the focus of our project was primarily on the large-scale boriding of ferrous materials, in this report, we will broadly cover the results from various ferrous materials that were used in our experiments. Another transformational feature of ultra-fast boriding is that it does not create any greenhouse gas emissions or solid and/or liquid wastes to deal with during or after the treatment; hence, it is an ultra-green technology (no need for expensive waste disposal and/or treatment facilities). It may eliminate the use of natural gas and other carbon-based fuels as the primary energy source in the heat treatment industry (which is the most common practice at present), thus, minimizing the CO 2 , NO x , CO, and SO x emissions that are generated in large quantities by current heat treatment practices. The main ingredient used during boriding is borax, which is a natural mineral. Our demonstrated and scaled-up technology can now be used in a wide range of manufacturing and transportation applications. It can deliver thick and uniform boride layers of more than 200 µm in steels, if needed, over the entire exposed surfaces — even in the very sharp corners or interior sections of workpieces (which are typical of gears, tools, pipes, and other components). Beneath the distinct boride layers is an equally-thick boron diffusion layer or zone, which is comparable to the diffusion zones achieved by carburizing and nitriding processes. In the cases of traditional boriding, nitriding, and/or carburizing methods, achieving such layer thickness and case depths would have taken several hours, and these surfaces would not have achieved the same levels of hardness and other desirable properties as they do with ultra-fast boriding. Some of the key stakeholders of ultra-fast boriding technology include companies that are active in heat-treatment, thermal-diffusion, and hard-coating processes; metal-forming, machining, and other manufacturing processes; and technologies related to transportation (including original equipment manufacturers for autos), mining and oil exploration, agricultural and heavy equipment. Bodycote Thermal Processing was the cost-sharing industrial partner and licensee in this project. They also provided test components and technical and commercial information pertaining to industrial components that are most suitable for ultra-fast boriding. Bodycote also coordinated some of the field tests and metallurgical examinations. Overall, ultra-fast boriding is a transformational technology that can complement, if not replace, many of the energy- and carbon-intensive surface treatment processes that are in use today, such as conventional boriding, carburizing, nitriding, carbo-nitriding, and physical and chemical vapor deposition. In our project, the developed technology was scaled-up and proven to be an ultra-green, ultra-efficient process that can drastically reduce costs, increase productivity, and improve the performance and reliability of machine components used in cross-cutting industrial applications.

Erdemir, Ali↗