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At least 865 records · Page 48

Recalculating Dissolver Curves for Critical Parameters for Nuclear Criticality Safety

The dissolver paradox is a phenomenon in criticality safety whereby a high density fissile material is being dissolved in a low fissile density solution and is subcritical before and after dissolution. However, as the metal is being dissolved, there may be an intermediate concentration that leads to a critical state. CCG-184 is a Y-12 report written in 1980 that provided critical parameter data for two separate dissolver paradox scenarios: solid metal spheres and hollow metal spheres with internal moderation effects. The sphere and shell are both surrounded by solution, however the shell contains solution of the same concentration within itself. In 1980, there are limitations to the computational methods to determine critical parameters. These are due to the lower number of energy groups utilized (16-group) at the time, smaller number of established cross-sectional data, as well as a larger uncertainty within the resonance region of neutron energies. With these constraints in mind, these critical parameters are recalculated with newer cross-sectional data, a newer Monte Carlo code: SCALE 6.1.3 using KENO V.a, and a larger number of energy bins.

61 RADIATION PROTECTION AND DOSIMETRY↗

An Estimate of Low-Cloud Feedbacks from Variations of Cloud Radiative and Physical Properties with Sea Surface Temperature on Interannual Time Scales

Simulations of climate change have yet to reach a consensus on the sign and magnitude of the changes in physical properties of marine boundary layer clouds. In this study, the authors analyze how cloud and radiative properties vary with SST anomaly in low-cloud regions, based on five years (March 2000 - February 2005) of Clouds and the Earth s Radiant Energy System (CERES) -- Terra monthly gridded data and matched European Centre for Medium-Range Weather Forecasts (ECMWF) meteorological reanalaysis data. In particular, this study focuses on the changes in cloud radiative effect, cloud fraction, and cloud optical depth with SST anomaly. The major findings are as follows. First, the low-cloud amount (-1.9% to -3.4% /K) and the logarithm of low-cloud optical depth (-0.085 to -0.100/K) tend to decrease while the net cloud radiative effect (3.86 W/m(exp 2)/ K) becomes less negative as SST anomalies increase. These results are broadly consistent with previous observational studies. Second, after the changes in cloud and radiative properties with SST anomaly are separated into dynamic, thermodynamic, and residual components, changes in the dynamic component (taken as the vertical velocity at 700 hPa) have relatively little effect on cloud and radiative properties. However, the estimated inversion strength decreases with increasing SST, accounting for a large portion of the measured decreases in cloud fraction and cloud optical depth. The residual positive change in net cloud radiative effect (1.48 W/m(exp 2)/ K) and small changes in low-cloud amount (-0.81% to 0.22% /K) and decrease in the logarithm of optical depth (-0.035 to -0.046/ K) with SST are interpreted as a positive cloud feedback, with cloud optical depth feedback being the dominant contributor. Last, the magnitudes of the residual changes differ greatly among the six low-cloud regions examined in this study, with the largest positive feedbacks (approximately 4 W/m(exp 2)/ K) in the southeast and northeast Atlantic regions and a slightly negative feedback (-0.2 W/m(exp 2)/ K) in the south-central Pacific region. Because the retrievals of cloud optical depth and/or cloud fraction are difficult in the presence of aerosols, the transport of heavy African continental aerosols may contribute to the large magnitudes of estimated cloud feedback in the two Atlantic regions.

Eitzen, Zachary A.↗

Quantum Computing for Neutrino-Nucleus Scattering

Neutrino-nucleus cross section uncertainties are expected to be a dominant systematic in future accelerator neutrino experiments. The cross sections are determined by the linear response of the nucleus to the weak interactions of the neutrino, and are dominated by energy and distance scales of the order of the separation between nucleons in the nucleus. These response functions are potentially an important early physics application of quantum computers. Here we present an analysis of the resources required and their expected scaling for scattering cross section calculations. The current estimates of Trotter steps needed to achieve an energy resolution of 10 MeV and the number of CNOT gates for analyzing Ar40 highlights the need for significant improvements in algorithms. We also examine simple small-scale neutrino-nucleus models on modern quantum hardware. In this paper, we use variational methods to obtain the ground state of a three nucleon system (the triton) and then implement the relevant time evolution. To tame the errors in present-day NISQ devices, we explore the use of different error-mitigation techniques to increase the fidelity of the calculations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Insights on sources and formation mechanisms of liquid-bearing clouds over MOSAiC examined from a Lagrangian framework

Understanding Arctic stratiform liquid-bearing cloud life cycles and properly representing these life cycles in models is crucial for evaluations of cloud feedbacks as well as the faithfulness of climate projections for this rapidly warming region. Examination of cloud life cycles typically requires analyses of cloud evolution and origins on short time scales, on the order of hours to several days. Measurements from the recent Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition provide a unique view of the current state of the central Arctic over an annual cycle. Here, we use the MOSAiC radiosonde measurements to detect liquid-bearing cloud layers over full atmospheric columns and to examine the cloud-generating air masses’ properties. We perform 5-day (120 h) back-trajectory calculations for every detected cloud and cluster them using a unique set of variables extracted from these trajectories informed by ERA5 reanalysis data. This clustering method enables us to separate between the air mass source regions such as ice-covered Arctic and midlatitude open water. We find that moisture intrusions into the central Arctic typically result in multilayer liquid-bearing cloud structures and that more than half of multilayer profiles include overlying liquid-bearing clouds originating in different types of air masses. Finally, we conclude that Arctic cloud formation via prolonged radiative cooling of elevated stable subsaturated air masses circulating over the Arctic can occur frequently (up to 20% of detected clouds in the sounding data set) and may lead to a significant impact of ensuing clouds on the surface energy budget, including net surface warming in some cases.

54 ENVIRONMENTAL SCIENCES↗

Synthetic carbohydrate: An aid to nutrition in the future

The synthetic production of carbohydrate on a large scale is discussed. Three possible nonagricultural methods of making starch are presented in detail and discussed. The simplest of these, the hydrolysis of cellulose wastes to glucose followed by polymerization to starch, appears a reasonable and economic supplement to agriculture at the present time. The conversion of fossil fuels to starch was found to be not competitive with agriculture at the present time, but tractable enough to allow a reasonable plant design to be made. A reconstruction of the photosynthetic process using isolated enzyme systems proved technically much more difficult than either of the other two processes. Particular difficulties relate to the replacement of expensive energy carrying compounds, separation of similar materials, and processing of large reactant volumes. Problem areas were pinpointed, and technological progress necessary to permit such a system to become practical is described.

Berman, G. A.↗

GCS site selection in saline Miocene formations in South Louisiana

One of the key requirements of a commercial scale geologic carbon sequestration (GCS) site selection process is identifying injection sites to safely inject and retain injected CO 2 over extended time scales. This requires thorough evaluation of site-specific surface and subsurface features. A site screening and selection framework was developed and used to identify potential sites in South Louisiana, incorporating surface data including site proximity to large CO 2 stationary sources, vicinity of large population centres and state lands, land usage, legacy oil and gas wells, and local/regional geologic trends. Regionally the Miocene sediments thicken and dip towards the south, reflecting a prograding deltaic environment during the Miocene which resulted in the deposition of thick packages of fine-grained sandstones suitable for CO 2 storage. The results of three example selected sites that are spatially separated with varying subsurface and surface features are presented in this study. The multiple stacked sand zones at these sites provide ample amount of pore volume for CO 2 storage with varying degree of stratigraphic/structural traps for long terms storage containment. Here, the screening framework presented in this study and the detailed evaluation of three specific sites in South Louisiana provides a process to screen and characterize sites for GCS projects and the suitability of these Miocene sediments for commercial scale CO 2 storage projects. It is envisioned that the analysis described in this paper will be beneficial for a large number of audiences involved in GCS work and aid in the site selection process.

58 GEOSCIENCES↗

Comprehensive characterization of the structure of Zr-based metallic glasses

Structure of metallic glasses fascinates as the generic amorphous structural template for ubiquitous systems. Its specification necessitates determination of the complete hierarchical structure, starting from short-range-order (SRO) → medium-range-order (MRO) → bulk structure and free volume (FV) distribution. This link has largely remained elusive since previous investigations adopted one-technique-at-a-time approach, focusing on limited aspects of any one domain. Reconstruction of structure from experimental data inversion is non-unique for many of these techniques. As a result, complete and precise structural understanding of glass has not emerged yet. In this work, we demonstrate the first experimental pathway for reconstruction of the integrated structure, for and glasses. Our strategy engages diverse (×7) multi-scale techniques [XAFS, 3D-APT, ABED/NBED, FEM, XRD, PAS, FHREM] on the same glass. This strategy complemented mutual limitations of techniques and corroborated common parameters to generate complete, self-consistent and precise parameters. Further, MRO domain size and inter-void separation were correlated to identify the presence of FV at MRO boundaries. This enabled the first experimental reconstruction of hierarchical subset: SRO → MRO → FV → bulk structure. The first ever image of intermediate region between MRO domains emerged from this link. We clarify that determination of all subsets is not our objective; the essence and novelty of this work lies in directing the pathway towards finite solution, in the most logical and unambiguous way.

36 MATERIALS SCIENCE↗

Non-catalytic oxidative depolymerization of lignin in perfluorodecalin to produce phenolic monomers

We demonstrate for the first time non-catalytic, oxidative cracking with molecular oxygen (O 2 ) to depolymerize native lignin into oxygenated phenolic monomers. Maximum monomer yield of 10.5 wt% was achieved at 250 °C after only 10 min of reaction and included vanillin, syringaldehyde, vanillic acid, and syringic acid. High rates of oxidation are attributed to the use of perfluorodecalin as solvent. Perfluorodecalin is a perfluorocarbon (PFC), characterized by their chemical stability and exceptionally high solubility for O 2 . Monomer yields were typically five-fold higher in perfluorodecalin compared to solvents more commonly employed in lignin conversion, such as methanol, butanol, acetonitrile, and ethyl acetate. Phenolic monomer production in perfluorodecalin favors high temperatures and short reaction times to prevent further oxidation of the produced monomers. Lignin oil obtained under oxidative conditions in perfluorodecalin showed lower molecular weight and smaller polydispersity compared to other solvents. Increasing the reaction time further decreased the molecular weight, while increasing reaction time in an inert atmosphere increased the molecular weight of the lignin oil. High concentrations of O 2 in perfluorodecalin not only increased lignin depolymerization but suppressed undesirable condensation reactions. Depolymerization is likely initiated by thermally induced homolytic cleavage of ether linkages in lignin to form phenoxy and carbon-based radicals. These radicals bind with O 2 as a radical scavenger and further react to form phenolic monomeric products rather than repolymerizing to large oligomers. The PFC process was scaled from 5 mL to 250 mL without any loss of yield. Because most organic compounds are not soluble in perfluorodecalin, recycling is easily achieved via liquid–liquid separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pattern of perturbations from a coherent quantum inflationary horizon

It is proposed that if quantum states of space-time are coherent on null surfaces, holographic Planck-scale fluctuations of inflationary horizons dominate the formation of primordial scalar curvature perturbations. It is shown that the reduction of quantum states on nearly-spherical emergent horizon surfaces around each observer creates a distinctive pattern whose correlations in the angular domain differ from the standard quantum theory of inflation. Causal constraints are used in a semiclassical model to formulate candidate directional symmetries. It is suggested that this hypothesis could provide a physical explanation for several well known anomalies measured in CMB anisotropy. New exact symmetries are predicted, such as a vanishing temperature correlation function at 90 degrees angular separation, that can be tested with current data.

79 ASTRONOMY AND ASTROPHYSICS↗

Optimization of Membrane-based Carbon Capture using Dimensional Analysis, CFD and Process System Engineering

Carbon capture is a promising option to mitigate CO2 emissions from existing coal-fired power plants, cement and steel industries, and petrochemical complexes. Among the available technologies, membrane-based carbon capture presents the lowest energy consumption, operating costs, and carbon footprint. In addition, membrane processes have important operational flexibil-ity and response times. On the other hand, the major challenges to widespread application of this technology are related to reducing capital costs and improving membrane stability and durability.To upscale the technology into stacked flat sheet configurations, high fidelity computational fluid dynamics (CFD) that describes the separation process accurately are required. High fidelity simulations have been shown to be effective in studying the complex transport phenomena in membrane systems. In addition, obtaining high CO2 recovery percentages and product purity requires a multi-stage membrane process, where the optimal network configuration of the membrane modules must be studied in a systematic way. In order to address the design problem at process scale, we formulate a superstructure for the membrane-based carbon capture, including up to three separation stages. In the formulation of the optimization problem, we include reduced models, based on rigorous CFD simulations of the membrane modules. Numerical results indicate that the optimal design includes three membrane stages, and the capture cost is 45.4 $/t-CO2.

Pedrozo, Hector A.↗

Magnetic Flux Cancelation as the Buildup and Trigger Mechanism for CME-Producing Eruptions in two Small Active Regions

We follow two small, magnetically isolated CME-producing solar active regions (ARs) from the time of their emergence until the time that their core regions erupt to produce the CMEs several days later. In both cases, magnetograms show: (a) following an initial period where the poles of the emerging regions separate from each other, the poles then reverse direction and start to retract inward; (b) during the retraction period, flux cancelation occurs along the main neutral line of the regions, (c) this cancelation builds the sheared core field/flux rope that eventually erupts to make the CME. In the two cases, respectively 30% and 50% of the maximum flux of the region cancels prior to the eruption. Recent studies indicate that solar coronal jets frequently result from small-scale filaments eruptions, with those “minifilament” eruptions also being built up and triggered by cancelation of magnetic flux. Together, the small-AR eruptions here and the coronal jet results suggest that isolated bipolar regions tend to erupt before or when a threshold of roughly 50% of the region’s maximum flux has canceled. Our observed erupting filaments/flux ropes form at sites of flux cancelation, in agreement with previous observations. Thus, the recent finding that minifilaments that erupt to form jets also form via flux cancelation is further evidence that minifilaments are small-scale versions of the long-studied full-sized filaments.

Sterling, Alphonse C.↗

The Scientific Case for Concurrent Neutron and X-ray Scattering and Spectroscopy

The interrogation of materials with X-rays or neutrons to determine the structure, energetics, and dynamics of materials is fundamental to advancing materials' physical and chemical science and developing innovative material technologies. A transcending challenge in developing novel materials is that progress hinges on understanding the structure and dynamics across multiple time and length scales in complex materials that feature multiple components, interfaces, and compositions. Despite the ever-growing demands on materials’ characterization, existing approaches are almost exclusively based on isolated X-ray or neutron scattering, i.e., an approach commensurate with the more narrowly defined needs of fifty years ago. A three-day workshop sponsored by the U.S. National Science Foundation (NSF) analyzed the demand for concurrent neutron and X-ray (NeX) experiments. It was held at the Spring Hill Suites, San Jose, California, from June 2 to 4, 2022. In this workshop, 70 national and international experts ascertained the crucial need to establish NeX capabilities to advance the science of complex materials and systems in the US. Here, we illustrate the need for NeX scattering and spectroscopy experiments by showcasing examples that span areas as diverse as biomaterials, energy science, soft matter, and nanomaterials. To provide NeX capability will require new instrumentation that enables concurrent experiments. Affected areas include chemistry, soft matter, quantum materials, pure and applied chemistry, bioscience, geoscience, and applied materials. NeX benefits research outcomes due to the complementarity of the two techniques, which is essential for better model refinement. While joint refinement of data from separate neutron and X-ray experiments is critical to avoid ambiguities, especially in multiphase-multicomponent materials, concurrent experiments overcome scientific and technical barriers associated with single measurements, separated by location and, thus, time. Among all the examples, these factors introduce uncertainties in the results that complicate data analysis. [1,2] [3] While models are strongly sample-dependent, the principles of joint refinement are generally applicable to these disciplines, including the development of advanced parameterization, modeling, and analysis techniques that also consider the temporal and spatial resolutions of the two methods, leading to unambiguous data interpretation. Solutions for technical barriers must be found to realize NeX experiments, including developing robust sample environments that meet the optical requirements of neutrons and X-rays.

36 MATERIALS SCIENCE↗

Overview of Global Monitoring of Terrestrial Chlorophyll Fluorescence from Space

Despite the critical importance of photosynthesis for the Earth system, understanding how it is influenced by factors such as climate variability, disturbance history, and water or nutrient availability remains a challenge because of the complex interactions and the lack of GPP measurements at various temporal and spatial scales. Space observations of the sun-induced chlorophyll fluorescence (SIF) electromagnetic signal emitted by plants in the 650-850nm spectral range hold the promise of providing a new view of vegetation photosynthesis on a global basis. Global retrievals of SIF from space have recently been achieved from a number of spaceborne spectrometers originally intended for atmospheric research. Despite not having been designed for land applications, such instruments have turned out to provide the necessary spectral and radiometric sensitivity for SIF retrieval from space. The first global measurements of SIF were achieved in 2011 from spectra acquired by the Japanese GOSAT mission launched in 2009. The retrieval takes advantage of the high spectral resolution provided by GOSATs Fourier Transform Spectrometer (FTS) which allows the evaluation of the in-filling of solar Fraunhofer lines by SIF. Unfortunately, GOSAT only provides a sparse spatial sampling with individual soundings separated by several hundred kilometers. Complementary, the Global Ozone Monitoring Experiment-2 (GOME-2) instruments onboard MetOp-A and MetOp-B enable SIF retrievals since 2007 with a continuous and global spatial coverage. GOME-2 measures in the red and near-infrared (NIR) spectral regions with a spectral resolution of 0.5 nm and a pixel size of up to 40x40 km2. Most recently, another global and spatially continuous data set of SIF retrievals at 740 nm spanning the 2003-2012 time frame has been produced from ENVISATSCIAMACHY. This observational scenario has been completed by the first fluorescence data from the NASA-JPL OCO-2 mission (launched in July 2014) and the upcoming Copernicus' Sentinel 5-Precursor to be launched in early 2016. OCO-2 and TROPOMI offer the possibility of monitoring SIF globally with a 100-fold improvement in spatial and temporal resolution with respect to the current measurements from the GOSAT, GOME-2 and SCIAMACHY missions. In this contribution, we will provide an overview of existing global SIF data sets derived from space-based atmospheric spectrometers and will demonstrate the potential of such data to improve our knowledge of vegetation photosynthesis and gross primary production at the synoptic scale. We will show examples of ongoing research exploiting SIF data for an improved monitoring of photosynthetic activity in different ecosystems, including large crop belts worldwide, the Amazon rainforest and boreal evergreen forests.

vegetation agriculture satellite↗

Statistically Driven Metabolite and Lipid Profiling of Patients from the Undiagnosed Diseases Network

Advancements in molecular separations coupled with mass spectrometry have enabled large-scale metabolome analyses for clinical cohorts. A population of interest for metabolome profiling are patients with rare disease for which abnormal metabolic signatures may yield clues into the genetic bases, as well as mechanistic drivers of the disease and possible treatment options. We undertook the metabolome profiling of a large cohort of patients with mysterious conditions characterized through the Un-diagnosed Diseases Network (UDN). Due to the size and enrollment procedures, collection of the metabolomes for UDN pa-tients took place over three years. We describe the study design to adjust for measurements collected over a long time-scale and how this enabled statistical analyses to summarize the metabolome of individual patients. We demonstrate the removal of time-based batch effects, overall statistical characteristics of the UDN population, and two case-studies of interest that demonstrate the utility of metabolome profiling for rare diseases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Shedding Light on Primary Donors in Photosynthetic Reaction Centers

Chlorophylls (Chl)s exist in a variety of flavors and are ubiquitous in both the energy and electron transfer processes of photosynthesis. The functions they perform often occur on the ultrafast (fs–ns) time scale and until recently, these have been difficult to measure in real time. Further, the complexity of the binding pockets and the resulting protein-matrix effects that alter the respective electronic properties have rendered theoretical modeling of these states difficult. Recent advances in experimental methodology, computational modeling, and emergence of new reaction center (RC) structures have renewed interest in these processes and allowed researchers to elucidate previously ambiguous functions of Chls and related pheophytins. This is complemented by a wealth of experimental data obtained from decades of prior research. Studying the electronic properties of Chl molecules has advanced our understanding of both the nature of the primary charge separation and subsequent electron transfer processes of RCs. In this review, we examine the structures of primary electron donors in Type I and Type II RCs in relation to the vast body of spectroscopic research that has been performed on them to date. Further, we present density functional theory calculations on each oxidized primary donor to study both their electronic properties and our ability to model experimental spectroscopic data. This allows us to directly compare the electronic properties of hetero- and homodimeric RCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Narrow Scale Flow and a Weak Field by the Top of Earth's Core: Evidence from Orsted, Magsat and Secular Variation

As Earth's main magnetic field weakens, our magnetic shield against the onslaught of the solar wind thins. And the field strength needed to fend off battering by solar coronal mass ejections is decreasing, just when the delicate complexity of modem, vulnerable, electro-technological systems is increasing at an unprecedented rate. Recently, a working group of distinguished scientist from across the nation has asked NASA's Solid Earth and Natural Hazards program a key question: What are the dynamics of Earth s magnetic field and its interactions with the Earth system? Paleomagnetic studies of crustal rocks magnetized in the geologic past reveal that polarity reversals have occurred many times during Earth s history. Networked super-computer simulations of core field and flow, including effects of gravitational, pressure, rotational Coriolis, magnetic and viscous forces, suggest how this might happen in detail. And space-based measurements of the real, time-varying magnetic field help constrain estimates of the speed and direction of fluid iron flowing near the top of the core and enable tests of some hypotheses about such flow. Now scientists at NASA s Goddard Space Flight Center have developed and applied methods to test the hypotheses of narrow scale flow and of a dynamically weak magnetic field near the top of Earth s core. Using two completely different methods, C. V. Voorhies has shown these hypotheses lead to specific theoretical forms for the "spectrum" of Earth s main magnetic field and the spectrum of its rate of change. Much as solar physicists use a prism to separate sunlight into its spectrum, from long wavelength red to short wavelength blue light, geophysicists use a digital prism, spherical harmonic analysis, to separate the measured geomagnetic field into its spectrum, from long to short wavelength fields. They do this for the rate of change of the field as well.

Voorhies, Coerte V.↗

The Uses and Abuses of the Acoustic Analogy in Helicopter Rotor Noise Prediction

This paper is theoretical in nature and addresses applications of the acoustic analogy in helicopter rotor noise prediction. It is argued that in many instances the acoustic analogy has not been used with care in rotor noise studies. By this it is meant that approximate or inappropriate formulations have been used. By considering various mechanisms of noise generation, such abuses are identified and the remedy is suggested. The mechanisms discussed are thickness, loading, quadrupole, and blade-vortex interaction noise. The quadrupole term of the Ffowcs Williams-Hawkings equation is written in a new form which separates the contributions of regions of high gradients such as shock surfaces. It is shown by order of magnitude studies that such regions are capable of producing noise with the same directivity as the thickness noise. The inclusion of this part of quadrupole sources in current acoustic codes is quite practical. Some of the difficulties with the use of loading noise formulations of the first author in predictions of blade-vortex interaction noise are discussed. It appears that there is a need for development of new theoretical results based on the acoustic analogy in this area. Because of the impulsive character of the blade surface pressure, a time scale of integration different from that used in loading and thickness computations must he used in a computer code for prediction of blade-vortex interaction noise.

Farassat, F.↗

Parallel Subconvolution Filtering Architectures

These architectures are based on methods of vector processing and the discrete-Fourier-transform/inverse-discrete- Fourier-transform (DFT-IDFT) overlap-and-save method, combined with time-block separation of digital filters into frequency-domain subfilters implemented by use of sub-convolutions. The parallel-processing method implemented in these architectures enables the use of relatively small DFT-IDFT pairs, while filter tap lengths are theoretically unlimited. The size of a DFT-IDFT pair is determined by the desired reduction in processing rate, rather than on the order of the filter that one seeks to implement. The emphasis in this report is on those aspects of the underlying theory and design rules that promote computational efficiency, parallel processing at reduced data rates, and simplification of the designs of very-large-scale integrated (VLSI) circuits needed to implement high-order filters and correlators.

Gray, Andrew A.↗