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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A Parameterization of Sub-grid Topographical Effects on Solar Radiation in the E3SM Land Model (Version 1.0): Implementation and Evaluation Over the Tibetan Plateau

Topography exerts significant influences on the incoming solar radiation at the land surface. A few stand-alone regional and global atmospheric models have included parameterizations for sub-grid topographic effects on solar radiation. However, nearly all Earth System Models (ESMs) that participated in the Coupled Model Intercomparison Project (CMIP6) use a plane-parallel (PP) radiative transfer scheme that assumes the terrain is flat. In this study, we incorporated a well-validated sub-grid topographic (TOP) parameterization in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) version 1.0 to quantify the effects of sub-grid topography on solar radiation flux, including the shadow effects and multi-scattering between adjacent terrain. The Moderate Resolution Imaging Spectroradiometer (MODIS) data was used to evaluate the performance of ELM. We studied the role of sub-grid topography by performing ELM simulations with the PP and TOP schemes over the Tibetan Plateau (TP). Additional ELM simulations were performed at multiple spatial resolutions to investigate the role of spatial scale on sub-grid topographic effects on solar radiation. When compared to MODIS data, incorporating the sub-grid topographic effects overall reduces the biases of ELM in simulating surface energy balance, snow cover and surface temperature especially in the high-elevation and snow-cover regions over the TP. Topography has non-negligible effects on surface energy budget, snow cover, and surface temperature over the TP. The absolute differences in surface energy fluxes for net solar radiation, latent heat flux, and sensible heat flux between TOP and PP exceed 20 W/m 2 , 10 W/m 2 , and 5 W/m 2 , respectively. The differences in land surface albedo, snow cover fraction, and surface temperature between TOP and PP exceed 0.1, 20%, and 1K, respectively. The magnitude of the sub-grid topographic effects is dependent on seasons and elevations, and is also sensitive to the spatial scales. Although the sub-grid topographic effects on solar radiation are more significant with more spatial details at finer spatial scales, they cannot be simply neglected at coarse spatial scales. The inclusion of sub-grid topographic effects on solar radiation parameterization in ELM will contribute to advancing our understanding of the role of the surface topography on terrestrial processes over complex terrain.

58 GEOSCIENCES↗
NASA NTRS1988

Axions, SN 1987A, and one pion exchange

Nucleon-nucleon, axion bremsstrahlung is the primary mechanism for axion emission from the nascent neutron star associated with SN 1987A, and the rate for this process has been calculated in the one pion exchange approximation (OPE). The axion mass limit which follows from SN 1987A, m sub a less than or approx equal to 10 to the -3 eV, is the most stringent astrophysical bound, and has received much scrutiny. It has been suggested that by using OPE to calculate the cross section for the analog process, pp yields pp + pi sup o, and comparing the result of the experimental data one can test the validity of this approximation, and further, that such a comparison indicates that OPE leads to a value for this cross section which is a factor of 30 to 40 too large. If true, this would suggest that the axion mass limit should be revised upward by a factor of approximately 6. The cross section for pp yields pp + pi sup o using OPE is carefully evaluated, and excellent agreement found (to better than a factor of 2) with the experimental data.

Turner, Michael S.↗
NASA NTRS1994

Evolution of protoplanetary disks with dynamo magnetic fields

The notion that planetary systems are formed within dusty disks is certainly not a new one; the modern planet formation paradigm is based on suggestions made by Laplace more than 200 years ago. More recently, the foundations of accretion disk theory where initially developed with this problem in mind, and in the last decade astronomical observations have indicated that many young stars have disks around them. Such observations support the generally accepted model of a viscous Keplerian accretion disk for the early stages of planetary system formation. However, one of the major uncertainties remaining in understanding the dynamical evolution of protoplanetary disks is the mechanism responsible for the transport of angular momentum and subsequent mass accretion through the disk. This is a fundamental piece of the planetary system genesis problem since such mechanisms will determine the environment in which planets are formed. Among the mechanisms suggested for this effect is the Maxwell stress associated with a magnetic field treading the disk. Due to the low internal temperatures through most of the disk, even the question of the existence of a magnetic field must be seriously studied before including magnetic effects in the disk dynamics. On the other hand, from meteoritic evidence it is believed that magnetic fields of significant magnitude existed in the earliest, PP-disk-like, stage of our own solar system's evolution. Hence, the hypothesis that PP disks are magnetized is not made solely on the basis of theory. Previous studies have addressed the problem of the existence of a magnetic field in a steady-state disk and have found that the low conductivity results in a fast diffusion of the magnetic field on timescales much shorter than the evolutionary timescale. Hence the only way for a magnetic field to exist in PP disks for a considerable portion of their lifetimes is for it to be continuously regenerated. In the present work, we present results on the self-consistent evolution of a turbulent PP disk including the effects of a dynamo-generated magnetic field.

Reyes-Ruiz, M.↗
NASA NTRS2001

Joint Group on Pollution Prevention: Partnering for Progress

This viewgraph presentation outlines the Joint Group on Pollution Prevention (JG-PP) partnership. Details are given on what groups comprise JG-PP, the proven methodology for what JG-PP can accomplish, the common problems, joint solutions, and shared efforts, and some of the JG-PP projects.

Hill, R.↗
NASA NTRS2003

The Thiamin Pyrophosphate-Motif

Using databases the authors have identified a common thiamin pyrophosphate (TPP)-motif in the family of functionally diverse TPP-dependent enzymes. This common motif consists of multimeric organization of subunits and two catalytic centers. Each catalytic center (PP:PYR) is formed at the interface of the PP-domain binding the magnesium ion, pyrophosphate and amhopyrimidine ring of TPP, and the PYR-domain binding the aminopyrimidine ring of that cofactor. A pair of these catalytic centers constitutes the catalytic core (PP:PYR)(sub 2) within these enzymes. Analysis of the structural elements of this catalytic core reveals novel definition of the common amino acid sequences, which are GXPhiX(sub 4)(G)PhiXXGQ and GDGX(sub 25-30)NN in the PP-domain, and the EX(sub 4)(G)PhiXXGPhi in the PYR-domain, where Phi corresponds to a hydrophobic amino acid. This TPP-motif provides a novel tool for annotation of TPP-dependent enzymes useful in advancing functional proteomics.

Dominiak, P.↗
NASA NTRS2003

The Thiamin Pyrophosphate-Motif

Using databases the authors have identified a common thiamin pyrophosphate (TPP)-motif in the family of functionally diverse TPP-dependent enzymes. This common motif consists of multimeric organization of subunits, two catalytic centers, common amino acid sequence, and specific contacts to provide a flip-flop, or alternate site, mechanism of action. Each catalytic center [PP:PYR] is formed at the interface of the PP-domain binding the magnesium ion, pyrophosphate and aminopyrimidine ring of TPP, and the PYR-domain binding the aminopyrimidine ring of that cofactor. A pair of these catalytic centers constitutes the catalytic core [PP:PYR]* within these enzymes. Analysis of the structural elements of this catalytic core reveals novel definition of the common amino acid sequences, which are GX@&(G)@XXGQ, and GDGX25-30 within the PP- domain, and the E&(G)@XXG@ within the PYR-domain, where Q, corresponds to a hydrophobic amino acid. This TPP-motif provides a novel tool for annotation of TPP-dependent enzymes useful in advancing functional proteomics.

Dominiak, Paulina M.↗
NASA NTRS1996

Independent Pixel and Two Dimensional Estimates of LANDSAT-Derived Cloud Field Albedo

A theoretical study has been conducted on the effects of cloud horizontal inhomogeneity on cloud albedo bias. A two-dimensional (2D) version of the Spherical Harmonic Discrete Ordinate Method (SHDOM) is used to estimate the albedo bias of the plane parallel (PP-IPA) and independent pixel (IPA-2D) approximations for a wide range of 2D cloud fields obtained from LANDSAT. They include single layer trade cumulus, open and closed cell broken stratocumulus, and solid stratocumulus boundary layer cloud fields over ocean. Findings are presented on a variety of averaging scales and are summarized as a function of cloud fraction, mean cloud optical depth, cloud aspect ratio, standard deviation of optical depth, and the gamma function parameter Y (a measure of the width of the optical depth distribution). Biases are found to be small for small cloud fraction or mean optical depth, where the cloud fields under study behave linearly. They are large (up to 0.20 for PP-IPA bias, -0.12 for IPA-2D bias) for large v. On a scene average basis PP-IPA bias can reach 0.30, while IPA-2D bias reaches its largest magnitude at -0.07. Biases due to horizontal transport (IPA-2D) are much smaller than PP-IPA biases but account for 20% RMS of the bias overall. Limitations of this work include the particular cloud field set used, assumptions of conservative scattering, constant cloud droplet size, no gas absorption or surface reflectance, and restriction to 2D radiative transport. The LANDSAT data used may also be affected by radiative smoothing.

Chambers, L. H.↗
NASA NTRS2005

Conservation of Fold and Topology of Functional Elements in Thiamin Pyrophosphate Enzymes

Thiamin pyrophosphate (TPP)-dependent enzymes are a highly divergent family of proteins binding both TPP and metal ions. They perform decarboxylation-hydroxyaldehydes. Prior -ketoacids and of a common - (O=)C-C(OH)- fragment of to knowledge of three-dimensional structures of these enzmes, the GDGY25-30NN sequence was used to identify these enzymes. Subsequently, a number of structural studies on those enzymes revealed multi-subunit organization and the features of the two duplicate cofactor binding sites. Analyzing the structures of 44 structurally known enzymes, we found that the common structure of these enzymes is reduced to 180-220 amino acid long fragments of two PP and two PYR domains that form the [PP:PYR]2 binding center of two cofactor molecules. The structures of PP and PYR are arranged in a similar fold-sheet with triplets of helices on both sides.Dconsisting of a six-stranded Residues surrounding the cofactors are not strictly conserved, but they provide the same interatomic contacts required for the catalytic functions that these enzymes perform while maintaining interactive structural integrity. These structural and functional amino acids are topological counterparts located in the same positions of the conserved fold of sets of PP and PYR domains. Additional parallels include short fragments of sequences that link these amino acids to the fold and function. This report on the structural commonalities amongst TPP dependent enzymes is thought to contribute new approaches to annotation that may assist in advancing the functional proteomics of TPP dependent enzymes, and trace their complexity within evolutionary context.

Dominiak, P.↗
NASA NTRS2011

Should Pruning be a Pre-Processor of any Linear System?

There are many real-world problems whose mathematical models turn out to be linear systems Ax = b , where A is an m by x n matrix. Each equation of the linear system is an information. An information, in a physical problem, such as 4 mangoes, 6 bananas, and 5 oranges cost $10, is mathematically modeled as 4x(sub 1) + 6x(sub 2) + 5x (sub 3) = 10, where x(sub 1), x(sub 2), x(sub 3) are each cost of one mango, that of one banana, and that of one orange, respectively. All the information put together in a specified context, constitutes the physical problem and need not be all distinct. Some of these could be redundant, which cannot be readily identified by inspection. The resulting mathematical model will thus have equations corresponding to this redundant information and hence are linearly dependent and thus superfluous. Consequently, these equations once identified should be better pruned in the process of solving the system. The benefits are (i) less computation and hence less error and consequently a better quality of solution and (ii) reduced storage requirements. In literature, the pruning concept is not in vogue so far although it is most desirable. In a numerical linear system, the system could be slightly inconsistent or inconsistent of varying degree. If the system is too inconsistent, then we should fall back on to the physical problem (PP), check the correctness of the PP derived from the material universe, modify it, if necessary, and then check the corresponding mathematical model (MM) and correct it. In nature/material universe, inconsistency is completely nonexistent. If the MM becomes inconsistent, it could be due to error introduced by the concerned measuring device and/or due to assumptions made on the PP to obtain an MM which is relatively easily solvable or simply due to human error. No measuring device can usually measure a quantity with an accuracy greater that 0.005% or, equivalently with a relative error less than 0.005%. Hence measurement error is unavoidable in a numerical linear system when the quantities are continuous (or even discrete with extremely large number). Assumptions, though not desirable, are usually made when we find the problem sufficiently difficult to be solved within the available means/tools/resources and hence distort the PP and the corresponding MM. The error thus introduced in the system could (not always necessarily though) make the system somewhat inconsistent. If the inconsistency (contradiction) is too much then one should definitely not proceed to solve the system in terms of getting a least-squares solution or a minimum norm solution or the minimum-norm least-squares solution. All these solutions will be invariably of no real-world use. If, on the other hand, inconsistency is reasonably low, i.e. the system is near-consistent or, equivalently, has near-linearly-dependent rows, then the foregoing solutions are useful. Pruning in such a near-consistent system should be performed based on the desired accuracy and on the definition of near-linear dependence. In this article, we discuss pruning over various kinds of linear systems and strongly suggest its use as a pre-processor or as a part of an algorithm. Ideally pruning should (i) be a part of the solution process (algorithm) of the system, (ii) reduce both computational error and complexity of the process, and (iii) take into account the numerical zero defined in the context. These are precisely what we achieve through our proposed O(mn2) algorithm presented in Matlab, that uses a subprogram of solving a single linear equation and that has embedded in it the pruning.

Sen, Syamal K.↗
NASA NTRS2011

Should Pruning be a Pre-Processor of any Linear System?

There are many real-world problems whose mathematical models turn out to be linear systems Ax = b, where A is an m x n matrix. Each equation of the linear system is an information. An information, in a physical problem, such as 4 mangoes, 6 bananas, and 5 oranges cost $10, is mathematically modeled as an equation 4x(sub 1) + 6x(sub 2) + 5x(sub 3) = 10 , where x(sub 1), x(sub 2), x(sub 3) are each cost of one mango, that of one banana, and that of one orange, respectively. All the information put together in a specified context, constitutes the physical problem and need not be all distinct. Some of these could be redundant, which cannot be readily identified by inspection. The resulting mathematical model will thus have equations corresponding to this redundant information and hence are linearly dependent and thus superfluous. Consequently, these equations once identified should be better pruned in the process of solving the system. The benefits are (i) less computation and hence less error and consequently a better quality of solution and (ii) reduced storage requirements. In literature, the pruning concept is not in vogue so far although it is most desirable. It is assumed that at least one information, i.e. one equation is known to be correct and which will be our first equation. In a numerical linear system, the system could be slightly inconsistent or inconsistent of varying degree. If the system is too inconsistent, then we should fall back on to the physical problem (PP), check the correctness of the PP derived from the material universe, modify it, if necessary, and then check the corresponding mathematical model (MM) and correct it. In nature/material universe, inconsistency is completely nonexistent. If the MM becomes inconsistent, it could be due to error introduced by the concerned measuring device and/or due to assumptions made on the PP to obtain an MM which is relatively easily solvable or simply due to human error. No measuring device can usually measure a quantity with an accuracy greater that 0.005% or, equivalently with a relative error less than 0.005%. Hence measurement error is unavoidable in a numerical linear system when the quantities are continuous (or even discrete with extremely large number). Assumptions, though not desirable, are usually made when we find the problem sufficiently difficult to be solved within the available means/tools/resources and hence distort the PP and the corresponding MM. The . error thus introduced in the system could (not always necessarily though) make the system somewhat inconsistent. If the inconsistency (contradiction) is too much then one should definitely not proceed to solve the system in terms of getting a least-squares solution or the minimum-norm least-squares solution. All these solutions will be invariably of no real-world use. If, on the other hand, inconsistency is reasonably low, i.e. the system is near-consistent or, equivalently, has near-linearly-dependent rows, then the foregoing solutions are useful. Pruning in such a near-consistent system should be performed based on the desired accuracy and on the definition of near-linear dependence. In this article, we discuss pruning over various kinds of linear systems and strongly suggest its use as a pre-processor or as a part of an algorithm. Ideally pruning should (i) be a part of the solution process (algorithm) of the system, (ii) reduce both computational error and complexity of the process, and (iii) take into account the numerical zero defined in the context. These are precisely what we achieve through our proposed O(mn2) algorithm presented in Matlab, that uses a subprogram of solving a single linear equation and that has embedded in it the pruning.

Sen, Syamal K.↗
NASA NTRS2008

QuEST: Qualifying Environmentally Sustainable Technologies

This is an exciting new chapter for the NASA Technology Evaluation for Environmental Risk Mitigation Principal Center (TEERM). The Principal Center's past successes have created new opportunities for partnership and technology implementation. TEERM is continuing to support the current NASA Programs while reaching out and offering our assistance and experience to Constellation. NASA has also assumed Chairmanship responsibility of the Joint Group on Pollution Prevention (JG-PP) and Chairmanship of the JG-PP Working Group (WG). Both JG-PP and TEERM strive to improve mission readiness and reduce risk to personnel and assets by solving joint problems through cooperation. JG-PP and TEERM not only show our commitment to environmental stewardship, but also our commitment to fiscal responsibility.

Lewis, Pattie↗
NASA NTRS2014

Modelflow Estimates of Stroke Volume Do Not Correlate With Doppler Ultrasound Estimates During Upright Posture

Orthostatic intolerance affects 60‐80% of astronauts returning from long‐duration missions, representing a significant risk to completing mission‐critical tasks. While likely multifactorial, a reduction in stroke volume (SV) represents one factor contributing to orthostatic intolerance during stand and head up tilt (HUT) tests. Current measures of SV during stand or HUT tests use Doppler ultrasound and require a trained operator and specialized equipment, restricting its use in the field. BeatScope (Finapres Medical Systems BV, The Netherlands) uses a modelflow algorithm to estimate SV from continuous blood pressure waveforms in supine subjects; however, evidence supporting the use of Modelflow to estimate SV in subjects completing stand or HUT tests remain scarce. Furthermore, because the blood pressure device is held extended at heart level during HUT tests, but allowed to rest at the side during stand tests, changes in the finger arterial pressure waveform resulting from arm positioning could alter modelflow estimated SV. The purpose of this project was to compare Doppler ultrasound and BeatScope estimations of SV to determine if BeatScope can be used during stand or HUT tests. Finger photoplethysmography was used to acquire arterial pressure waveforms corrected for hydrostatic finger‐to‐heart height using the Finometer (FM) and Portapres (PP) arterial pressure devices in 10 subjects (5 men and 5 women) during a stand test while simultaneous estimates of SV were collected using Doppler ultrasound. Measures were made after 5 minutes of supine rest and while subjects stood for 5 minutes. Next, SV estimates were reacquired while each arm was independently raised to heart level, a position similar to tilt testing. Supine SV estimates were not significantly different between all three devices (FM: 68+/-20, PP: 71+/-21, US: 73+/-21 ml/beat). Upon standing, the change in SV estimated by FM (‐18+/-8 ml) was not different from PP (‐21+/-12), but both were significantly less than US (‐37+/-16 ml, p<.05). Raising finger BP devices to heart level caused no significant change in SV measured with any of the devices (FM: 1.5+/-19, PP: 1.7+/-26, US: 0.5+/-6), although variability was 3‐6x greater as assessed by both blood pressure devices compared to US. Retrospective analysis of blood pressure data to assess SV in 11 supine subjects revealed significantly different estimates between methods (FM: 95+/-17, US: 75+/-32, p<.05), but the change in SV resulting from HUT was similar between methods (FM: ‐37+/-9, US: ‐40+/-18 ml). However, the correlation coefficient determined from pairs of SV estimated by US and FM was weak (r2=0.03). These data suggest Modelflow cannot be used in lieu of Doppler ultrasound to estimate SV during stand or HUT tests. Further investigation should focus on identifying factors contributing to differences between these measurement techniques in order to make use of a simple method for assessing beat‐by‐beat changes in SV during postural changes, especially during field testing.

Ferguson, Connor R.↗
NASA NTRS2015

Mock Certification Basis for an Unmanned Rotorcraft for Precision Agricultural Spraying

This technical report presents the results of a case study using a hazard-based approach to develop preliminary design and performance criteria for an unmanned agricultural rotorcraft requiring airworthiness certification. This case study is one of the first in the public domain to examine design and performance criteria for an unmanned aircraft system (UAS) in tandem with its concept of operations. The case study results are intended to support development of airworthiness standards that could form a minimum safety baseline for midsize unmanned rotorcraft performing precision agricultural spraying operations under beyond visual line-of-sight conditions in a rural environment. This study investigates the applicability of current methods, processes, and standards for assuring airworthiness of conventionally piloted (manned) aircraft to assuring the airworthiness of UAS. The study started with the development of a detailed concept of operations for precision agricultural spraying with an unmanned rotorcraft (pp. 5-18). The concept of operations in conjunction with a specimen unmanned rotorcraft were used to develop an operational context and a list of relevant hazards (p. 22). Minimum design and performance requirements necessary to mitigate the hazards provide the foundation of a proposed (or mock) type certification basis. A type certification basis specifies the applicable standards an applicant must show compliance with to receive regulatory approval. A detailed analysis of the current airworthiness regulations for normal-category rotorcraft (14 Code of Federal Regulations, Part 27) was performed. Each Part 27 regulation was evaluated to determine whether it mitigated one of the relevant hazards for the specimen UAS. Those regulations that did were included in the initial core of the type certification basis (pp. 26-31) as written or with some simple modifications. Those regulations that did not mitigate a recognized hazard were excluded from the certification basis. The remaining regulations were applicable in intent, but the text could not be easily tailored. Those regulations were addressed in separate issue papers. Exploiting established regulations avoids the difficult task of generating and interpreting novel requirements, through the use of acceptable, standardized language. The rationale for the disposition of the regulations was assessed and captured (pp. 58-115). The core basis was then augmented by generating additional requirements (pp. 38-47) to mitigate hazards for an unmanned sprayer that are not covered in Part 27.

Hayhurst, Kelly J.↗
NASA NTRS2004

Control systems of the large millimeter telescope

The paper presents the analysis results (in terms of settling time, bandwidth, and servo error in wind disturbances) of four control systems designed for the Large Millimeter Telescope (LMT). The first system, called PI’, consists of the proportional and integral (PI) controllers in the rate and position loops, and is widely used in the antenna and radiotelescope industry. The analysis shows that the PP control system performance is remarkably good when compared to similar control systems applied to typical antennas. This performance is achieved because the LMT structure is exceptionally rigid, however, it does not meet the stringent LMT pointing requirements. The second system, called PL, consists of the PI controller in the rate loop, and the Linear-Quadratic-Gaussian (LQG) controller in the position loop. This type of controller is implemented in the NASA Deep Space Network antennas, where pointing accuracy is twice that of PP control system. The third system, called LP, consists of the LQG controller in the rate loop, and the propositional-integral-derivative (PID) controller in the position loop. This type of loop has not been yet implemented at known antennas or radiotelescopes, but the analysis shows that its pointing accuracy is the ten times better than PP control system. The fourth system, called LL, consists of the LQG controller in both the rate loop, and the position loop. It is the best of the four, with accuracy 250 better than the PP system, thus is worth further investigations, to identify implementation challenges for the telescopes of high pointing requirements.

Souccar, Kainal↗
NASA NTRSDate not supplied

The Human Research Program Grant Lifecycle & Data Integration Schedule: Infographic

The Human Research Program (HRP) Grant Lifecycle process can be described using information from several government authoritative sources with overlapping generalizations. It is the responsibility of the HRP Program Planning & Control (PP&C) Office and the Data Management Integration Office (DMIO)to interpret this information into a cohesive process that can be communicated to the human research organization. PP&C and DMIO have been exploring training opportunities to facilitate understanding through the form of infographics. This communication tool combines eye-catching visuals and text making complex information and data more digestible and shareable. The infographic poster tells a short story about a federally awarded grant and is intended to help both the new and experienced HRP workforce understand the timeline for a research procurement and where their specific tasks fall within the 4 phases of the grant lifecycle. The Pre-Award, Award, Post-Award, and Closeout phases are overlayed with business swimlanes so HRP stakeholders can see where they fit into the timeline rather than working in an isolated part. This includes the Chief Scientist Office (CSO), PP&C, the Data Management Integration Office (DMIO), the Principal Investigator (PI), the Element stakeholders, the LSDA Archivists, and the Research & Operations Integration (ROI) team along with the stakeholders in the Human Health and Performance Directorate. Additionally, the poster introduces (1) the HRP Data Integration Schedule identified in the HRP Data Management Plan HRP-48047, Table 8-2 and (2) a Smartsheet Solution to automate the grants tracking business process. Emphasis is given to the Data Integration Schedule which is the basis for the milestone tasks that are to be completed during the Post-Award phase in the grant lifecycle. The poster is also an opportunity to present the Smartsheet Solution, a software collaboration and work management tool used to assign tasks and track project progress. This PP&C FY24 effort will facilitate an end-to-end solution to track grants and provide insight to the health of HRP grant research procurements using metrics, reports, and dashboards.

J Peace↗
DOE OSTI2024

MEASURING CLAS12 D(E, E′Π±) CROSS SECTIONS FOR E4NU

Neutrino experiments need neutrino event generators such as GENIE to simulate neutrinonucleus (¿A) interactions in order to measure neutrino oscillations. We need eA data to validate GENIE. GENIE d(e, e') cross sections do not match data in the pion production region. Further analysis of this region can help constrain GENIE models. The goal of this project was to compare 4.244 GeV CLAS12 d(e, e'p±) cross sections to GENIE predictions. We analyzed data from the Fall 2019 run period of Run Group B (RG-B). We applied particle identification, fiducial, and vertex cuts on electron and charged pion candidates. We compared the measured data with events generated with GENIE and another generator called onepigen. We used onepigen to simulate single charged pion production and to calculate radiative corrections for the data. We submitted GENIE and onepigen events to the GEant4 Monte-Carlo (GEMC) simulation of CLAS12 and applied the same cuts we used on the data. We plotted cross sections as functions of W and binned the events in Q2, ¿pq, and Pp. We used 2D (Q2), 3D (Q2 with ¿pq or Pp), and 4D (Q2, ¿pq, and Pp) binning schemes. We found GENIE describes d(e, e'p±) cross sections better than expected. GENIE describes the data remarkably well in the 2D bins and some 3D and 4D bins. There are many discrepancies between GENIE and data in the other 3D and 4D bins. The results show that, relative to data, GENIE cross sections increase as Q2 increases, decrease as Pp increases, and fit best at low ¿pq. These results will help guide improvements to GENIE in order to reduce the systematic uncertainties in neutrino-oscillation experiments.

Fogler, Caleb [Old Dominion Univ., Norfolk, VA (Un↗
DOE OSTI2025

Undercooling minimization in ultrasound coupled DTA measurements of molten salts

Molten salts are ionic liquids that are used for the electrolytic pyroprocessing of metals and as heat transfer fluids in very high temperature processes. Recently, halide-based molten salt reactors (MSR) have gained momentum for high density and environmentally responsible electricity generation. The function of these reactors and their fuel cycle depend on a knowledge of the halide salt’s thermodynamic properties [1]. Therefore, high accuracy phase equilibria of MSR relevant base halide and actinide containing salts are needed. Modern thermal analysis of the phase transitions of halide salts is usually done during heating at relatively high scan rates with commercial devices. Normally such measurements are adequate for pure or pseudo-binary salts. However, as the number of components in the mixture increases, accurately resolving the liquidus becomes increasingly difficult. Reversing the scanning mode greatly increases the sensitivity of phase transition measurements but can decrease accuracy due to undercooling [2] — a common occurrence in molten halide systems [3]. This work presents the development of a differential thermal analysis (DTA) cell intended for use in radiological gloveboxes. Non-contact ultrasonic agitation of the halide salt is implemented to limit kinetic limitations on crystallization during cooling to minimize undercooling [4]. Measurements on halide salts are also presented to elucidate the effect of non-contact mixing on undercooling. Reference [1] S. Boyd and C. Taylor, “3 - Chemical fundamentals and applications of molten salts,” in Molten Salt Reactors and Thorium Energy, T. J. Dolan, Ed., Woodhead Publishing, 2017, pp. 29–91. doi: 10.1016/B978-0-08-101126-3.00003-8. [2] K. Nitsch, A. Cihlár, and M. Rodová, “Molten state and supercooling of lead halides,” J. Cryst. Growth, vol. 264, no. 1, pp. 492–498, Mar. 2004, doi: 10.1016/j.jcrysgro.2004.01.011. [3] L. Rycerz, “Practical remarks concerning phase diagrams determination on the basis of differential scanning calorimetry measurements,” J. Therm. Anal. Calorim., vol. 113, no. 1, pp. 231–238, Jul. 2013, doi: 10.1007/s10973-013-3097-0. [4] Md. H. Zahir, S. A. Mohamed, R. Saidur, and F. A. Al-Sulaiman, “Supercooling of phase-change materials and the techniques used to mitigate the phenomenon,” Appl. Energy, vol. 240, pp. 793–817, Apr. 2019, doi: 10.1016/j.apenergy.2019.02.045.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Exploring the Tl 2H 2 potential energy surface: A comparative analysis with group 13 systems and experiment

Abstract Thallium chemistry is experiencing unprecedented importance. Therefore, it is valuable to characterize some of the simplest thallium compounds. Stationary points along the singlet and triplet TlH potential energy surface have been characterized. Stationary point geometries were optimized with the CCSD(T)/aug‐cc‐pwCVQZ‐PP method. Harmonic vibrational frequencies were computed at the same level of theory while anharmonic vibrational frequencies were computed at the CCSD(T)/aug‐cc‐pwCVTZ‐PP level of theory. Final energetics were obtained with the CCSDT(Q) method. Basis sets up to augmented quintuple‐zeta cardinality (aug‐cc‐pwCV5Z‐PP) were employed to obtain energetics in order to extrapolate to the complete basis set limits using the focal point approach. Zero‐point vibrational energy corrections were appended to the extrapolated energies in order to determine relative energies at 0 K. It was found that the planar dibridged isomer lies lowest in energy while the linear structure lies highest in energy. The results were compared to other group 13 MH (M = B, Al, Ga, In, and Tl) theoretical studies and some interesting variations are found. With respect to experiment, incompatibilities exist.

Chemistry↗