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DOE OSTI2016

SU-F-T-521: Flattening-Filter-Free Beam Parameters Comparison From Different Linac Machine Types

Purpose: Novel linac machines, TrueBeam (TB) and Elekta Versa have updated head designing and software control system, include flattening-filter-free (FFF) photon and electron beams. Later on FFF beams were also introduced on C-Series machines. In this work FFF beams for same energy 6MV but from different machine versions were studied with reference to beam data parameters. Methods: The 6MV-FFF percent depth doses, profile symmetry and flatness, dose rate tables, and multi-leaf collimator (MLC) transmission factors were measured during commissioning process of both C-series and Truebeam machines. The scanning and dosimetric data for 6MV-FFF beam from Truebeam and C-Series linacs was compared. A correlation of 6MV-FFF beam from Elekta Versa with that of Varian linacs was also found. Results: The scanning files were plotted for both qualitative and quantitative analysis. The dosimetric leaf gap (DLG) for C-Series 6MV-FFF beam is 1.1 mm. Published values for Truebeam dosimetric leaf gap is 1.16 mm. 6MV MLC transmission factor varies between 1.3 % and 1.4 % in two separate measurements and measured DLG values vary between 1.32 mm and 1.33 mm on C-Series machine. MLC transmission factor from C-Series machine varies between 1.5 % and 1.6 %. Some of the measured data values from C-Series FFF beam are compared with Truebeam representative data. 6MV-FFF beam parameter values like dmax, OP factors, beam symmetry and flatness and additional parameters for C-Series and Truebeam liancs will be presented and compared in graphical form and tabular data form if selected. Conclusion: The 6MV flattening filter (FF) beam data from C-Series & Truebeam and 6MV-FFF beam data from Truebeam has already presented. This particular analysis to compare 6MV-FFF beam from C-Series and Truebeam provides opportunity to better elaborate FFF mode on novel machines. It was found that C-Series and Truebeam 6MV-FFF dosimetric and beam data was quite similar.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

MO-FG-CAMPUS-TeP1-01: An Efficient Method of 3D Patient Dose Reconstruction Based On EPID Measurements for Pre-Treatment Patient Specific QA

Purpose: To demonstrate an efficient and clinically relevant patient specific QA method by reconstructing 3D patient dose from 2D EPID images for IMRT plans. Also to determine the usefulness of 2D QA metrics when assessing 3D patient dose deviations. Methods: Using the method developed by King et al (Med Phys 39(5),2839–2847), EPID images of IMRT fields were acquired in air and converted to dose at 10 cm depth (SAD setup) in a flat virtual water phantom. Each EPID measured dose map was then divided by the corresponding treatment planning system (TPS) dose map calculated with an identical setup, to derive a 2D “error matrix”. For each field, the error matrix was used to adjust the doses along the respective ray lines in the original patient 3D dose. All field doses were combined to derive a reconstructed 3D patient dose for quantitative analysis. A software tool was developed to efficiently implement the entire process and was tested with a variety of IMRT plans for 2D (virtual flat phantom) and 3D (in-patient) QA analysis. Results: The method was tested on 60 IMRT plans. The mean (± standard deviation) 2D gamma (2%,2mm) pass rate (2D-GPR) was 97.4±3.0% and the mean 2D gamma index (2D-GI) was 0.35±0.06. The 3D PTV mean dose deviation was 1.8±0.8%. The analysis showed very weak correlations between both the 2D-GPR and 2D-GI when compared with PTV mean dose deviations (R2=0.3561 and 0.3632 respectively). Conclusion: Our method efficiently calculates 3D patient dose from 2D EPID images, utilising all of the advantages of an EPID-based dosimetry system. In this study, the 2D QA metrics did not predict the 3D patient dose deviation. This tool allows reporting of the 3D volumetric dose parameters thus providing more clinically relevant patient specific QA.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2018

Nonequilibrium electron and lattice dynamics of strongly correlated Bi 2 Sr 2 CaCu 2 O 8+δ single crystals

Here, the interplay between the electronic and lattice degrees of freedom in nonequilibrium states of strongly correlated systems has been debated for decades. Although progress has been made in establishing a hierarchy of electronic interactions with the use of time-resolved techniques, the role of the phonons often remains in dispute, a situation highlighting the need for tools that directly probe the lattice. We present the first combined megaelectron volt ultrafast electron diffraction and time- and angle-resolved photoemission spectroscopy study of optimally doped Bi 2 Sr 2 CaCu 2 O 8+δ . Quantitative analysis of the lattice and electron subsystems’ dynamics provides a unified picture of nonequilibrium electron-phonon interactions in the cuprates beyond the N-temperature model. The work provides new insights on the specific phonon branches involved in the nonequilibrium heat dissipation from the high-energy Cu–O bond stretching “hot” phonons to the lowest-energy acoustic phonons with correlated atomic motion along the <110> crystal directions and their characteristic time scales. It reveals a highly nonthermal phonon population during the first several picoseconds after the photoexcitation. The approach, taking advantage of the distinct nature of electrons and photons as probes, is applicable for studying energy relaxation in other strongly correlated electron systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Quantifying the topology of magnetic skyrmions in three dimensions

Magnetic skyrmions have so far been treated as two-dimensional spin structures characterized by a topological winding number. However, in real systems with the finite thickness of the device material being larger than the magnetic exchange length, the skyrmion spin texture extends into the third dimension and cannot be assumed as homogeneous. Using soft x-ray laminography, we reconstruct with about 20-nanometer spatial (voxel) size the full three-dimensional spin texture of a skyrmion in an 800-nanometer-diameter and 95-nanometer-thin disk patterned into a 30× [iridium/cobalt/platinum] multilayered film. A quantitative analysis finds that the evolution of the radial profile of the topological skyrmion number is nonuniform across the thickness of the disk. Estimates of the micromagnetic energy densities suggest that the changes in topological profile are related to nonuniform competing energetic interactions. Our results provide a foundation for nanoscale metrology for spintronics devices using topology as a design parameter.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Next-generation wargames

Over the past century, and particularly since the outset of the Cold War, wargames (interactive simulations used to evaluate aspects of tactics, operations, and strategy) have become an integral means for militaries and policy-makers to evaluate how strategic decisions are made related to nuclear weapons strategy and international security. Furthermore, these methods have also been applied beyond the military realm, to examine phenomena as varied as elections, government policy, international trade, and supply-chain mechanics. Today, a renewed focus on wargaming combined with access to sophisticated and inexpensive drag-and-drop digital game development frameworks and new cloud computing architectures have democratized the ability to enable massive multiplayer gaming experiences. With the integration of simulation tools and experimental methods from a variety of social science disciplines, a science-based experimental gaming approach has the potential to transform the insights generated from gaming by creating human-derived, large-n datasets for replicable, quantitative analysis. In the following, we outline challenges associated with contemporary simulation and wargaming tools, investigate where scholars have searched for game data, and explore the utility of new experimental gaming and data analysis methods in both policy-making and academic settings.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2018

Calculation of Transfer Functions of Multilayer Biotissues in the Problems of Correction of Their Fluorescence Spectra

A method for rapid calculation of a flux of stimulated fluorescence of a multilayer optically dense medium with inhomogeneous distribution of the fluorophore has been developed. The light field in the medium at the excitation wavelength of fluorescence is represented by a superposition of incident collimated, incident diffuse, and reflected diffuse fluxes. A two-stream approximation is used to describe the light field in the medium at the wavelength of emission of the fluorescence. Fluxes in adjacent elementary layers of the medium and on its surface are connected by simple matrix operators that are obtained using a combination of engineering approaches of radiation-transfer theory and single-scattering approximation. The calculations of fluorescence fluxes of a four-layer biotissue that are excited and recorded at 400–800 nm are compared with their Monte Carlo simulation with a discrepancy of 1%. The effect of the propagation medium on the fluorescence spectra of 5-ALA-induced protoporphyrin IX that are recorded from human skin was studied, and a technique for their correction that is based on measurements and quantitative analysis of the diffuse reflectance spectrum of skin was proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2018

Magnetic Solitons

Solitons and localized dissipative structures are the most natural and well-observed manifestations of nonlinear dynamics of energetically open systems at all scales ranging from the quantum structures to astrophysical objects. Depending on the system parameters and an adequate scaling, these phenomena are successfully described by the equations of Korteweg de Vries, Gross–Pitaevskiy, Kadomtsev–Petviashvili, Ginzburg–Landau, and their modifications. In this paper, we shall discuss formation and dynamics of magnetic solitons observed in the solar atmosphere. In particular, we focus on the highly dynamic environment of sunspot areas vastly populated by magnetic solitons. We discuss the properties of these solitons based on their observed signatures, along with their role in dynamics of overlying corona. The results of quantitative analysis of observational data based on the MHD theory of solitary structures are presented.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Unitary version of the particle–hole dispersive optical model

For the particle–hole dispersive optical model developed recently, a method is proposed for restoring unitarity weakly violated by a phenomenological description of the spreading effect. The method is implemented by performing a quantitative analysis of the energy-averaged isoscalar monopole double transition density and strength functions over a broad energy range including the isoscalar giant monopole resonance and its overtone in the {sup 208}Pb nucleus.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Comparative Study of the Nernst–Ettingshausen Coefficient in the Normal Phase in the Y{sub 1 –} {sub x}Pr{sub x}Ba{sub 2}Cu{sub 3}O{sub y} and Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} Systems

The results of the comparative study of the modification of the temperature dependences of the Nernst–Ettingshausen coefficient Q in the normal phase of two series of the samples of the Y{sub 1 –} {sub x}Pr{sub x}Ba{sub 2}Cu{sub 3}O{sub y} and Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} compositions due to praseodymium doping are presented. The specific features of dependences Q(T) and Q{sub 300 K}(T) appeared as additional calcium ions exist in the YBa{sub 2}Cu{sub 3}O{sub y} lattice have been revealed and analyzed. It is shown that dependences Q(T) and the temperature dependences of the thermopower coefficient obtained for the same samples previously are completely described in terms of the narrow-band model for both systems under study. The charge carrier mobilities and the degrees of asymmetry of the dispersion law are determined using a quantitative analysis of the experimental data. It is shown that the existence of additional calcium ions in the lattice does not influence a change in the asymmetry of the dispersion law with an increase in the praseodymium content, but strongly influences the character of changing the mobility. The found dependence of the mobility on the level of doping in the two systems and the observed difference in the characters of the changes in the absolute values of the thermopower coefficient and the Nernst–Ettingshausen coefficient in the Y{sub 0.85 –} {sub x}Pr{sub x}Ca{sub 0.15}Ba{sub 2}Cu{sub 3}O{sub y} system are explained on the basis of the analysis of the mechanisms of influence of the energy spectrum parameters on the charge carrier mobility in the YBa{sub 2}Cu{sub 3}O{sub y} system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Adsorption Processes during Electrochemical Atomic Layer Deposition of Gold

Electrochemical atomic layer deposition (e-ALD) technique offers a simple and effective "wet chemistry" approach enabling high-precision monolayer-by-monolayer deposition of metal films. The process of e-ALD of Au involves lead underpotential deposition (PbUPD) followed by its redox replacement by a Au monolayer. The time evolution of the deposit mass during "one-pot" Au e-ALD is known to exhibit a unique three-stage response that is presently not well understood. In this work, we probe this response using voltammetry, electrochemical quartz crystal microgravimetry (e-QCM), and chronoamperometry to unravel the underlying mechanistic events during Au e-ALD. Furthermore, the presence of adsorbed Au +3 -ligand complex(es) (Au-L) on the Au surface is established. In stage I of e-ALD, this Au-L adsorbed layer is reduced to Au while a Pb UPD adlayer is formed. In stage II, the Pb UPD adlayer undergoes spontaneous surface-limited redox replacement by nobler Au under open-circuit conditions. Finally, in stage III, re-adsorption of the Au-L occurs on the newly deposited Au. Quantitative analysis of the deposit mass transients obtained under a variety of conditions provides an estimate of the Au-L mass and its molecular weight.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Electrolytic Etching of Germanium Substrates with Hydrogen Peroxide

Anodic electrolytic etching of germanium has been performed in hydrogen peroxide etchants with controlled external conditions. In-situ current and ex-situ etch-depths were measured and tracked with respect to etchant composition and stir rates. Gas bubbles formed during the etching process were found to cause non-uniformity in etch-current and surface quality. The effects were minimized in specific composition spaces. Quantitative analysis revealed a linear correlation of the number of electrons transferred during germanium oxidation with the number of surface atoms removed. Experimental results of 2.77 electrons/atom deviate significantly from 4 electrons/atom previously reported for silicon. The conclusion is that etching mechanisms for germanium are sufficiently different from those for silicon which invalidates the direct transfer of processing techniques between the two materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Anodic Conversion of Cyclohexane, Methylcyclohexane, and 2-Propanol: Towards a Regenerable Liquid-Fed Fuel Cell

Liquid Organic Hydrogen Carriers (LOHCs) are promising for hydrogen and energy storage but require endothermic catalytic dehydrogenation. An alternative approach is a regenerable liquid-fed fuel cell which spontaneously converts an organic carrier from its hydrogen-rich to hydrogen-lean form while generating electrical power. The anodic electrooxidation of cyclohexane, methylcyclohexane and 2-propanol in a high temperature polybenzimidazole/phosphoric acid (PBI/PA) PEM fuel cell was investigated along with a quantitative analysis of reaction products. Cyclohexane and methylcyclohexane were predominantly converted to CO 2 with only a trace formation of the corresponding aromatic and cyclic olefin byproducts. This near-to-complete oxidation of the fuels is in sharp contrast to previous reports of a selective conversion of cyclohexane to benzene, with no CO 2 byproducts. In experiments with 2-propanol, acetone was produced, with diisopropylether, propylene and CO 2 as only minor side products. However, the extent of CO 2 formation greatly increased at higher current densities.

25 ENERGY STORAGE↗

DOE OSTI2017

Lithium Vanadium Oxide (Li 1.1 V 3 O 8 ) Coated with Amorphous Lithium Phosphorous Oxynitride (LiPON): Role of Material Morphology and Interfacial Structure on Resulting Electrochemistry

In the present work, lithium vanadium oxide (Li 1.1 V 3 O 8 ) particles synthesized at two different temperatures were coated with an amorphous lithium phosphorous oxynitride (LiPON) film for the first time, and the effects of the LiPON coating on the electrochemistry of the Li 1.1 V 3 O 8 materials with different morphologies were systematically investigated by comparing uncoated Li 1.1 V 3 O 8 and Li 1.1 V 3 O 8 coated with LiPON of various thicknesses. Galvanostatic discharge-charge cycling revealed increased functional capacity for the LiPON-coated materials. Post-cycling electrochemical impedance spectroscopy showed that LiPON-coated Li 1.1 V 3 O 8 materials developed less interfacial resistance with extended cycling, rationalized by vanadium migration into the LiPON coating seen by electron energy loss spectra. Post-mortem quantitative analysis of the anodes revealed more severe vanadium dissolution for the more irregularly shaped Li 1.1 V 3 O 8 materials with less LiPON coverage. Thus, this study highlights the specific benefits and limitations of LiPON coatings for stabilizing a moderate voltage Li 1.1 V 3 O 8 cathode material under extended cycling in liquid electrolyte, and describes a generally applicable approach for comprehensive characterization of a composite electroactive material which can be used to understand interfacial transport properties in other functional systems.

25 ENERGY STORAGE↗

DOE OSTI2019

Electrochemistry of the Arrow Poison, Tubocurarine, Using Boron Doped Diamond Electrode: Experimental and Theoretical Approaches

In present work boron doped diamond (BDD) electrode was applied for studying electrochemical behavior, as well as for quantitative determination of natural alkaloid, tubocurarine (arrow poison/ TUB). Electrochemical behavior was investigated using several organic solvents and aqueous buffers, at different pHs, as supporting electrolytes. After selection of the most appropriate supporting electrolyte and investigation of its electrochemical behavior, analytical procedures for quantitative analysis of TUB were developed in an acetonitrile/methanol (80:20) mixture and in 1 mol L−1 nitric acid, which had linear quantification ranges from 4 × 10−6 to 1 × 10−4 mol L−1 (LOD = 3.07 × 10−6 mol L−1) and 4 × 10−6 to 9 × 10−5 mol L−1 (LOD = 2.45 × 10−6 mol L−1 and 5.28 × 10−7 mol L−1, depending on the selected peak), respectively. The oxidation mechanism of TUB was proposed from the theoretical aspect. Remarkable selectivity and good sensitivity were obtained after the TUB quantification method was optimized, allowing application of the developed method for TUB quantification in biological fluids, with excellent reproducibility, accuracy and precision.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Electron heating and energy inventory during asymmetric reconnection in a laboratory plasma

Electron heating and the energy inventory during asymmetric reconnection are studied in the laboratory plasma with a density ratio of about 8 across the current sheet. Features of asymmetric reconnection such as the large density gradients near the low-density-side separatrices, asymmetric in-plane electric field, and bipolar out-of-plane magnetic field are observed. Unlike the symmetric case, electrons are also heated near the low-density-side separatrices. The measured parallel electric field may explain the observed electron heating. Although large fluctuations driven by lower-hybrid drift instabilities are also observed near the low-density-side separatrices, laboratory measurements and numerical simulations reported here suggest that they do not play a major role in electron energization. The average electron temperature increase in the exhaust region is proportional to the incoming magnetic energy per an electron/ion pair but exceeds scalings of the previous space observations. This discrepancy is explained by differences in the boundary condition and system size. The profile of electron energy gain from the electric field shows that there is additional electron energy gain associated with the electron diamagnetic current besides a large energy gain near the X-line. This additional energy gain increases electron enthalpy, not the electron temperature. Finally, a quantitative analysis of the energy inventory during asymmetric reconnection is conducted. Unlike the symmetric case where the ion energy gain is about twice more than the electron energy gain, electrons and ions obtain a similar amount of energy during asymmetric reconnection.

Energy inventory↗

DOE OSTI2017

Suppression of Alfvén modes on NSTX-U with outboard beam injection

In this paper we present data from experiments on NSTX-U where it is shown for the first time that small amounts of high pitch-angle beam ions can strongly suppress the counter-propagating Global Alfvén Eigenmodes (GAE). GAE have been implicated in the redistribution of fast ions and modification of the electron power balance in previous experiments on NSTX. The ability to predict the stability of Alfvén modes, and developing methods to control them, is important for fusion reactor like the International Tokamak Experimental Reactor (ITER) which are heated by a large population of non-thermal, super-Alfvénic ions consisting of fusion generated alphas and beam ions injected for current profile control. We present a qualitative interpretation of these observations using an analytic model of the Doppler-shifted ion-cyclotron resonance drive responsible for GAE instability which has an important dependence on k⊥ρL. A quantitative analysis of this data with the HYM stability code predicts both the frequencies and instability of the GAE prior to, and suppression of the GAE after the injection of high pitch-angle beam ions.

Energetic particles↗

DOE OSTI2020

LIvermore SEM image Tools

Scanning Electron Microscopy (SEM) images provide a variety of structural and morphological information for the characterization of the nanomaterials. This code offers automatic recognition and quantitative analysis of SEM images in a high-throughput manner using computer vision and machine learning techniques. The main function of this application is to extract particle size and morphology information of overlapping nanoparticles and core-shell nanostructures in a user friendly interface. The code is written in C++ with QT environment, and has been tested on MacOSX.

KIM, HYOJIN↗

DOE OSTI2021

Automated CT registration, segmentation, and quantification (AutoCT) v1.0

Processing and analyzing brain imaging is crucial in both scientific development and clinical field. In this software package, we build a pipeline that integrates automatic registration, segmentation, and quantitative analysis for subjects' CT scans. Leveraging diffeomorphic transformations, we enable optimized forward and inverse mappings between an image and the reference. Furthermore, we extract localized features from deformation field based on an online template process, which advances statistical learning downstream. The created templates, atlas as well as our methods provide the brain imaging community tools for AI implementations.

Essiari, Abdelilah↗