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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Computational Redesign of Acyl-ACP Thioesterase with Improved Selectivity toward Medium-Chain-Length Fatty Acids

Enzyme and metabolic engineering offer the potential to develop biocatalysts for converting natural resources to a wide range of chemicals. To broaden the scope of potential products beyond natural metabolites, methods of engineering enzymes to accept alternative substrates and/or perform novel chemistries must be developed. DNA synthesis can create large libraries of enzyme-coding sequences, but most biochemistries lack a simple assay to screen for promising enzyme variants. Our solution to this challenge is structure-guided mutagenesis, in which optimization algorithms select the best sequences from libraries based on specified criteria (i.e., binding selectivity). We demonstrate this approach by identifying medium-chain (C8–C12) acyl-ACP thioesterases through structure-guided mutagenesis. Medium-chain fatty acids, which are products of thioesterase-catalyzed hydrolysis, are limited in natural abundance, compared to long-chain fatty acids; the limited supply leads to high costs of C6–C10 oleochemicals such as fatty alcohols, amines, and esters. Here, we applied computational tools to tune substrate binding of the highly active ‘TesA thioesterase in Escherichia coli. We used the IPRO algorithm to design thioesterase variants with enhanced C12 or C8 specificity, while maintaining high activity. After four rounds of structure-guided mutagenesis, we identified 3 variants with enhanced production of dodecanoic acid (C12) and 27 variants with enhanced production of octanoic acid (C8). The top variants reached up to 49% C12 and 50% C8 while exceeding native levels of total free fatty acids. A comparably sized library created by random mutagenesis failed to identify promising mutants. The chain length-preference of ‘TesA and the best mutant were confirmed in vitro using acyl-CoA substrates. Molecular dynamics simulations, confirmed by resolved crystal structures, of ‘TesA variants suggest that hydrophobic forces govern ‘TesA substrate specificity. Finally, we expect the design rules that we uncovered and the thioesterase variants that we identified will be useful to metabolic engineering projects aimed at sustainable production of medium-chain-length oleochemicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Numerical simulations of turbulent thermal convection with differential rotation

The solar nebula, from which the planets in our solar system formed, featured a disk of gas and dust grains in rapid, differential rotation, and at some stage was likely to have been unstable to thermal convection. This situation is suspected by many to lead to significant turbulent Reynolds stress production and angular momentum transport in such systems, and estimates of transport rates have been attempted from unsubstantiated phenomenological models. In order to determine the circumstances and physical conditions under which our own planetary system formed and to explain recent observations of young stellar systems, it is necessary to develop realistic models of heat and angular momentum transport for such flows. Developing an understanding of complicated flows featuring thermal convection, rotation, and shear is also of wide interest in stellar astrophysics and in planetary and terrestrial atmospheric studies. The ultimate objective is to develop workable models based on the numerical simulations for constructing global solar nebula models; viz., relatively simple prescriptions for heat and angular momentum fluxes from given system parameters (e.g., ratios of rotation, shear, and convective lapse rates) are characterized, quantified, and developed. Toward this end, our program has been to attempt to understand the behavior of the direct numerical simulations of Boussinesq convection, which, despite the complexity of the results, is still an overly simplified approximation to the real system and should be more amenable to analysis. These results are also intended to be tested against turbulence models, especially those designed for atmospheric boundary layers, and may provide a basis for subgrid-scale models. In order to make the numerical simulations more realistic with regard to the solar nebula problem, a fully compressible code that will allow incorporation of large density stratifications and realistic thermodynamic and radiative properties is developed. In order to explore the properties of these flows at the very high values of Re found in natural systems and the very low values of Pr found in most astrophysical contexts, we will need to employ large-eddy simulations for which we want to determine the most appropriate subgrid-scale model to incorporate.

Cabot, William H.↗
DOE OSTI2011

Experimental annotation of post-translational features and translated coding regions in the pathogen Salmonella Typhimurium

Complete and accurate genome annotation is crucial for comprehensive and systematic studies of biological systems. For example systems biology-oriented genome scale modeling efforts greatly benefit from accurate annotation of protein-coding genes to develop proper functioning models. However, determining protein-coding genes for most new genomes is almost completely performed by inference, using computational predictions with significant documented error rates (> 15%). Furthermore, gene prediction programs provide no information on biologically important post-translational processing events critical for protein function. With the ability to directly measure peptides arising from expressed proteins, mass spectrometry-based proteomics approaches can be used to augment and verify coding regions of a genomic sequence and importantly detect post-translational processing events. In this study we utilized “shotgun” proteomics to guide accurate primary genome annotation of the bacterial pathogen Salmonella Typhimurium 14028 to facilitate a systems-level understanding of Salmonella biology. The data provides protein-level experimental confirmation for 44% of predicted protein-coding genes, suggests revisions to 48 genes assigned incorrect translational start sites, and uncovers 13 non-annotated genes missed by gene prediction programs. We also present a comprehensive analysis of post-translational processing events in Salmonella, revealing a wide range of complex chemical modifications (70 distinct modifications) and confirming more than 130 signal peptide and N-terminal methionine cleavage events in Salmonella. This study highlights several ways in which proteomics data applied during the primary stages of annotation can improve the quality of genome annotations, especially with regards to the annotation of mature protein products.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Multi-component Reynolds-averaged Navier–Stokes simulations of Richtmyer–Meshkov instability and mixing induced by reshock at different times

Turbulent mixing generated by shock-driven acceleration of a perturbed interface is simulated using a new multi-component Reynolds-averaged Navier–Stokes (RANS) model closed with a two-equation K–ϵ model. Here, the model is implemented in a hydrodynamics code using a third-order weighted essentially non-oscillatory finite-difference method for the advection terms and a second-order central difference method for the gradients in the source and diffusion terms. In the present reshocked Richtmyer–Meshkov instability and mixing study, an incident shock with Mach number Ma s = 1.20 is generated in air and progresses into a sulfur hexafluoride test section. The time evolution of the predicted mixing layer widths corresponding to six shock tube test section lengths are compared with experimental measurements and three-dimensional multi-mode numerical simulations. The mixing layer widths are also compared with the analytical self-similar power-law solution of the simplified model equations prior to reshock. A set of model coefficients and initial conditions specific to these six experiments is established, for which the widths before and after reshock agree very well with experimental and numerical simulation data. A second set of general coefficients that accommodates a broader range of incident shock Mach numbers, Atwood numbers, and test section lengths is also established by incorporating additional experimental data for Ma s = 1.24, 1.50, and 1.98 with At = 0.67 and Ma s = 1.45 with At = –0.67 and previous RANS modeling. Terms in the budgets of the turbulent kinetic energy and dissipation rate equations are examined to evaluate the relative importance of turbulence production, dissipation and diffusion mechanisms during mixing. Convergence results for the mixing layer widths, mean fields, and turbulent fields under grid refinement are presented for each of the Ma s = 1.20 cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

RF heating for fusion product studies

Third harmonic cyclotron heating is an effective tool for accelerating deuterium (D) beams to the MeV energy range, suitable for studying ITER relevant fast particle physics in plasmas without significant tritium content. Such experiments were recently conducted in JET with an ITER like wall in D plasmas with {sup 3}He concentrations up to 30% in order to boost the fusion reactivity by D-{sup 3}He reactions. The harmonic cyclotron heating produces high-energy tails in the MeV range of D ions by on-axis heating and of {sup 3}He ions by tangential off-axis heating. The discharges are characterized by long sawtooth free periods and a rich spectrum of MHD modes excited by the fast D and {sup 3}He ions. The partitions of the power, which depend on the distribution function of D, vary strongly over several slowing down times. Self-consistent modelling of the distribution function with the SELFO-light code are presented and compared with experimental data from fast particle diagnostics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Reverse-Mode Algorithmic Differentiation of an OpenMP-Parallel Compressible Flow Solver

y Reverse-mode algorithmic differentiation (AD) is an established method for obtaining adjoint derivatives of computer simulation applications. In computational fluid dynamics (CFD), adjoint derivatives of a cost function output such as drag or lift with respect to design parameters such as surface coordinates or geometry control points are a key ingredient for shape optimization, uncertainty quantification and flow control. The computational cost of CFD applications and their derivatives makes it essential to use high-performance computing hardware efficiently, including multi- and many-core architectures. Nevertheless, OpenMP is not supported in most AD tools, and previously shown methods achieve poor scalability of the derivative code. We present the AD of an OpenMP-parallelized finite volume compressible flow solver for unstructured meshes. Our approach enables us to reuse the parallelization of the original code in the computation of adjoint derivatives. The method works by identifying code segments that can be differentiated in reverse-mode without changing their memory access pattern. The OpenMP parallelization is integrated into the derivative code during the build process in a way that is robust to modifications of the original code and independent of the OpenMP support of the differentiation tool. We show the scalability of our adjoint CFD solver on test cases ranging from thousands to millions of finite volume mesh cells on CPUs with up to 16 threads as well as on an Intel XeonPhi card with 236 threads. We demonstrate that our approach is more practical to implement for production-sized CFD codes and produces more efficient adjoint derivative code than previously shown AD methods.

Huckelheim, Jan↗
DOE OSTI2016

SCALE Code System

The SCALE Code System is a widely-used modeling and simulation suite for nuclear safety analysis and design that is developed, maintained, tested, and managed by the Reactor and Nuclear Systems Division (RNSD) of Oak Ridge National Laboratory (ORNL). SCALE provides a comprehensive, verified and validated, user-friendly tool set for criticality safety, reactor and lattice physics, radiation shielding, spent fuel and radioactive source term characterization, and sensitivity and uncertainty analysis. Since 1980, regulators, licensees, and research institutions around the world have used SCALE for safety analysis and design. SCALE provides an integrated framework with dozens of computational modules including three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution strategy. SCALE includes current nuclear data libraries and problem-dependent processing tools for continuous-energy (CE) and multigroup (MG) neutronics and coupled neutron-gamma calculations, as well as activation, depletion, and decay calculations. SCALE includes unique capabilities for automated variance reduction for shielding calculations, as well as sensitivity and uncertainty analysis. SCALE’s graphical user interfaces assist with accurate system modeling, visualization of nuclear data, and convenient access to desired results.SCALE 6.2 provides many new capabilities and significant improvements of existing features.New capabilities include:• ENDF/B-VII.1 nuclear data libraries CE and MG with enhanced group structures,• Neutron covariance data based on ENDF/B-VII.1 and supplemented with ORNL data,• Covariance data for fission product yields and decay constants,• Stochastic uncertainty and correlation quantification for any SCALE sequence with Sampler,• Parallel calculations with KENO,• Problem-dependent temperature corrections for CE calculations,• CE shielding and criticality accident alarm system analysis with MAVRIC,• CE depletion with TRITON (T5-DEPL/T6-DEPL),• CE sensitivity/uncertainty analysis with TSUNAMI-3D,• Simplified and efficient LWR lattice physics with Polaris,• Large scale detailed spent fuel characterization with ORIGAMI and ORIGAMI Automator,• Advanced fission source convergence acceleration capabilities with Sourcerer,• Nuclear data library generation with AMPX, and• Integrated user interface with Fulcrum.Enhanced capabilities include:• Accurate and efficient CE Monte Carlo methods for eigenvalue and fixed source calculations,• Improved MG resonance self-shielding methodologies and data,• Resonance self-shielding with modernized and efficient XSProc integrated into most sequences,• Accelerated calculations with TRITON/NEWT (generally 4x faster than SCALE 6.1),• Spent fuel characterization with 1470 new reactor-specific libraries for ORIGEN,• Modernization of ORIGEN (Chebyshev Rational Approximation Method [CRAM] solver, API for high-performance depletion, new keyword input format)• Extension of the maximum mixture number to values well beyond the previous limit of 2147 to ~2 billion,• Nuclear data formats enabling the use of more than 999 energy groups,• Updated standard composition library to provide more accurate use of natural abundances, andvi• Numerous other enhancements for improved usability and stability.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2001

HZETRN: neutron and proton production in quasi-elastic scattering of GCR heavy-ions

The development of transport models for radiation shielding design and evaluation has provided a series of deterministic computer codes that describe galactic cosmic radiation (GCR), solar particle events, and experimental beams at particle accelerators. These codes continue to be modified to accommodate new theory and improvements to the particle interaction database (Cucinotta et al., 1994, NASA Technical Paper 3472, US Government Printing Office, Washington DC). The solution employed by the heavy-ion transport code HZETRN was derived with the assumption that nuclear fragments are emitted with the same velocity as the incident ion through velocity conserving nuclear interactions. This paper presents a version of the HZETRN transport code that provides a more realistic distribution of the energy of protons and neutrons emitted from GCR interactions in shields. This study shows that the expected GCR dose equivalent is lower than previously calculated for water shields that are less than 110 g cm-2 thick. Calculations of neutron energy spectra in low Earth orbit indicate substantial contributions from relativistic neutrons. c2001 Elsevier Science Ltd. All rights reseved.

NASA Center LaRC↗
DOE OSTI2017

Simulating the dust content of galaxies: successes and failures

We present full-volume cosmological simulations, using the moving-mesh code AREPO to study the coevolution of dust and galaxies. We extend the dust model in AREPO to include thermal sputtering of grains and investigate the evolution of the dust mass function, the cosmic distribution of dust beyond the interstellar medium and the dependence of dust-to-stellar mass ratio on galactic properties. The simulated dust mass function is well described by a Schechter fit and lies closest to observations at z = 0. The radial scaling of projected dust surface density out to distances of 10 Mpc around galaxies with magnitudes 17 < i < 21 is similar to that seen in Sloan Digital Sky Survey data, albeit with a lower normalization. At z = 0, the predicted dust density of Ωdust ≈ 1.3 × 10 -6 lies in the range of Ωdust values seen in low-redshift observations. We find that the dust-to-stellar mass ratio anticorrelates with stellar mass for galaxies living along the star formation main sequence. Moreover, we estimate the 850 μm number density functions for simulated galaxies and analyse the relation between dust-to-stellar flux and mass ratios at z = 0. At high redshift, our model fails to produce enough dust-rich galaxies, and this tension is not alleviated by adopting a top-heavy initial mass function. We do not capture a decline in Ωdust from z = 2 to 0, which suggests that dust production mechanisms more strongly dependent on star formation may help to produce the observed number of dusty galaxies near the peak of cosmic star formation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Thermal-Hydraulics Modeling and Simulations of Hot Pool Using the SAS-CFD Coupled Code

The main goal of this activity is to test the dynamic coupling of the SAS4A/SASSYS-1 (SAS) and CFD models, using a recently patched version of the SAS code intended to address an undocumented limitation that hindered the Versatile Test Reactor (VTR) simulation efforts in FY21. As described in previous VTR calculation reports, the undocumented limitation in SAS v5.4 does not allow the user to activate the CFD coupling option during restart calculations. Since the analysts were unaware of this limitation, prior SAS-CFD simulation results for the protected station blackout (PSBO) transient were erroneous. Root-cause analysis was performed to determine the cause of this undocumented limitation in SAS v5.4, the SAS software was updated in a new patch, and the SAS-CFD simulations were repeated with this patched software. The results of the SAS-CFD simulations documented in this report show that the software patch does address the cited issue, and that the patched software indeed supports the activation of the CFD coupling model in restart calculations. The SAS development team will determine the schedule for implementing the patch in an official software release. This report documents updated SAS-CFD simulations of the PSBO transient response in the VTR. The hot pool is modeled with the CFD code STAR-CCM+, which is coupled at the flow boundaries to the SAS model of the primary heat transport system. SAS computes the mass flow rate and temperature at each core subassembly outlet, the thermal insulation cavity bypass, and the IHX inlet windows. CFD in turn computes the absolute pressure and temperature at each of these boundaries. The SAS code will ignore the temperature data at flow boundaries where flow is directed into the hot pool, i.e., at the core subassembly outlets unless flow reversal occurs. Similarly, CFD will ignore temperature data at boundaries where the flow is directed out of the hot pool, i.e., at the IHX inlets except under flow reversal. The focus of this work is to ensure that the SAS software patch addresses the undocumented limitation described in prior VTR calculation reports, rather than the accurate assessment of thermal stratification in the VTR during protected transients. This motivates the development of a new, simplified CFD model with a coarser mesh to accelerate the testing process. The updated model, and simplifying assumptions, are documented in this report. In future work, the thermal stratification assessment should be performed in more detail. The simplified CFD model can be improved by performing grid convergence studies sensitivity studies of turbulence parameters (e.g., Prandtl number, turbulence production and dissipation parameters) on temperature distributions and thermal stratification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2015

TESTING THE ROLE OF SNe Ia FOR GALACTIC CHEMICAL EVOLUTION OF p-NUCLEI WITH TWO-DIMENSIONAL MODELS AND WITH s-PROCESS SEEDS AT DIFFERENT METALLICITIES

The bulk of p isotopes is created in the ''gamma processes'' mainly by sequences of photodisintegrations and beta decays in explosive conditions in Type Ia supernovae (SNIa) or in core collapse supernovae (ccSN). The contribution of different stellar sources to the observed distribution of p-nuclei in the solar system is still under debate. We explore single degenerate Type Ia supernovae in the framework of two-dimensional SNIa delayed-detonation explosion models. Travaglio et al. discussed the sensitivity of p-nuclei production to different SNIa models, i.e., delayed detonations of different strength, deflagrations, and the dependence on selected s-process seed distributions. Here we present a detailed study of p-process nucleosynthesis occurring in SNIa with s-process seeds at different metallicities. Based on the delayed-detonation model DDT-a of TRV11, we analyze the dependence of p-nucleosynthesis on the s-seed distribution obtained from different strengths of the {sup 13}C pocket. We also demonstrate that {sup 208}Pb seed alone changes the p-nuclei production considerably. The heavy-s seeds (140 ≤A < 208) contribute with about 30%-40% to the total light-p nuclei production up to {sup 132}Ba (with the exception of {sup 94}Mo and {sup 130}Ba, to which the heavy-s seeds contribute with about 15% only). Using a Galactic chemical evolution code from Travaglio et al., we study the contribution of SNIa to the solar stable p-nuclei. We find that explosions of Chandrasekhar-mass single degenerate systems produce a large amount of p-nuclei in our Galaxy, both in the range of light (A ≤ 120) and heavy p-nuclei, at almost flat average production factors (within a factor of about three). We discussed in details p-isotopes such as {sup 94}Mo with a behavior diverging from the average, which we attribute to uncertainties in the nuclear data or in SNIa modeling. Li et al. find that about 70% of all SNeIa are normal events. If these are explained in the framework of explosions of Chandrasekhar-mass white dwarfs resulting from the single-degenerate progenitor channel, we find that they are responsible for at least 50% of the p-nuclei abundances in the solar system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Comparison of experimental data with predictions of various models for silicon and aluminum fragmentation under the effect of high-energy cosmic rays

The accuracy attained in theoretically estimating the yields of isotopes and isobars and their energy, charge, and mass distributions in silicon fragmentation that occurs in spacecraft electronics under the effect of cosmic-ray protons is an important factor in forecasting the probability for single-event upsets in the electronics and the reliability of spacecraft operation in general. In previous studies of our group, it was shown that the results of the calculations are highly sensitive to the choice of parameters for opticalmodel potentials. In addition to cross sections for elastic and inelastic proton scattering and charge, mass, and energy distributions of heavy nuclear-reaction products, the results of our calculations for doubledifferential spectra of protons originating from the interaction of highly energetic (30-400 MeV) protons with aluminum and double-differential spectra of other particles (neutrons and alpha particles) arising in competing channels of the p + {sup 27}Al reaction are also described in the present article. The calculations in question were performed on the basis of the EMPIRE-II-19 code by using various optical-model potentials, including the Becchetti-Greenlees potential for the (p, n) channel, the Wilmore-Hodgson potential for the (p, n) channel, the Madland potential for the (p, p) channel, the Koning-Delaroche potential for the (p, p) channel, and the McFadden-Satchler potential for the (p, {alpha}) channel. A comparative analysis of the double-differential spectra obtained for outgoing protons, neutrons, and alpha particles experimentally and in the calculations of various authors was performed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Generation IV benchmarking of TRISO fuel performance models under accident conditions: Modeling input data

This document presents the benchmark plan for the calculation of particle fuel performance on safety testing experiments that are representative of operational accidental transients. The benchmark is dedicated to the modeling of fission product release under accident conditions by fuel performance codes from around the world, and the subsequent comparison to post-irradiation experiment (PIE) data from the modeled heating tests. The accident condition benchmark is divided into three parts: the modeling of a simplified benchmark problem to assess potential numerical calculation issues at low fission product release; the modeling of the AGR-1 and HFR-EU1bis safety testing experiments; and, the comparison of the AGR-1 and HFR-EU1bis modeling results with PIE data. The simplified benchmark case, thereafter named NCC (Numerical Calculation Case), is derived from ''Case 5'' of the International Atomic Energy Agency (IAEA) Coordinated Research Program (CRP) on coated particle fuel technology [IAEA 2012]. It is included so participants can evaluate their codes at low fission product release. ''Case 5'' of the IAEA CRP-6 showed large code-to-code discrepancies in the release of fission products, which were attributed to ''effects of the numerical calculation method rather than the physical model''[IAEA 2012]. The NCC is therefore intended to check if these numerical effects subsist. The first two steps imply the involvement of the benchmark participants with a modeling effort following the guidelines and recommendations provided by this document. The third step involves the collection of the modeling results by Idaho National Laboratory (INL) and the comparison of these results with the available PIE data. The objective of this document is to provide all necessary input data to model the benchmark cases, and to give some methodology guidelines and recommendations in order to make all results suitable for comparison with each other. The participants should read this document thoroughly to make sure all the data needed for their calculations is provided in the document. Missing data will be added to a revision of the document if necessary.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Characterisation of a MeV Bremsstrahlung x-ray source produced from a high intensity laser for high areal density object radiography

Results of an experiment to characterise a MeV Bremsstrahlung x-ray emission created by a short (<10 ps) pulse, high intensity (1.4 × 10{sup 19} W/cm{sup 2}) laser are presented. X-ray emission is characterized using several diagnostics; nuclear activation measurements, a calibrated hard x-ray spectrometer, and dosimeters. Results from the reconstructed x-ray energy spectra are consistent with numerical simulations using the PIC and Monte Carlo codes between 0.3 and 30 MeV. The intense Bremsstrahlung x-ray source is used to radiograph an image quality indicator (IQI) heavily filtered with thick tungsten absorbers. Observations suggest that internal features of the IQI can be resolved up to an external areal density of 85 g/cm{sup 2}. The x-ray source size, inferred by the radiography of a thick resolution grid, is estimated to be approximately 400 μm (full width half maximum of the x-ray source Point Spread Function)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Detailed Characterization of CZT Detector Response for Improved Coded-Aperture Imaging Performance

Gamma-ray imaging is a powerful method for locating and quantifying sources of radiation. The coded-aperture technique demonstrates superior angular resolution in comparison to other methods (e.g., Compton reconstruction). In this method, a mask constructed of highly attenuating material encodes the scene as a shadow pattern on a position-sensitive detector; this pattern can then be used to recreate the origin(s) of incident radiation. This is typically done through convolution of the mask and shadow patterns. Iterative methods which attempt to reconstruct the observed shadow pattern using a weighted combination of simulated patterns may also be employed. In either case, errors in event position reconstruction due to detector imperfections alter the shadow pattern and will therefore degrade system performance and may introduce imaging artifacts. These effects can be mitigated with a detailed understanding of such errors – allowing for the generation of representative simulations that include the errors and/or correction of raw imager data to remove the errors. We present a calibration process for a commercially available cadmium zinc telluride (CZT) gamma imager which provides a comprehensive characterization of the spatial and energy dependence of event reconstruction. By illuminating a mask featuring a regular grid of pinholes with a calibration source, the localized response of the detector can be measured with fine granularity. These local responses are combined to generate a full detector response map which can be used to distort simulations in a manner that is representative of the observed detector data. Details of the calibration procedure and an assessment of the impact of its end products on the performance of iterative imaging methods will be presented.

Ziock, Klaus-Peter↗
DOE OSTI2017

Virtualized hardware environments for supporting digital I and C verification - 324

The technology of virtualized hardware testing platforms within the nuclear context in order to provide a framework for evaluating virtualized hardware/software approaches is discussed. To understand the applicability of virtualized hardware approaches, we have developed a virtual hardware model of an actual smart sensor using the Imperas product OVPsim development environment, as is seen in . An evaluation of the modeling effort required to create the digital I and C smart sensor is provided, followed by an analysis and findings on the various tools in the OVPsim environment for supporting testing, evidence collecting, and analysis. The analyzed tools include traditional input/output testing, model-based testing, mutation testing, and fault injection techniques. Finally, the goal of this research effort is to analyze virtual hardware platforms and present findings to the nuclear community on the efficacy and viability of this technology as a complementary means to actual hardware-in-the-loop testing Factory Acceptance Testing for Nuclear Power Plant (NPP) digital I and C systems. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Improvements in Electron-Photon-Relaxation Data for MCNP6

The Los Alamos Monte Carlo transport code MCNP6 has recently benefitted from significant work to improve the photon-electron transport and atomic-relaxation capabilities of the code. The improvements include extension of existing photon data to lower energies than previously supported; addition of new data such as subshell-specific photoelectric cross sections; completion of the incoherent and coherent form factor data to cover all scattering angles at all supported energies; new data for electron interactions including Bremsstrahlung, elastic scattering, subshell-specific electroionization, and atomic excitation; a much more detailed representation for atomic relaxation; and an entirely new (to MCNP) approach to electron transport: the single-event method. These improvements were made available with the initial production release of MCNP6 along with an extended electron, photon, and relaxation data file eprdata12 to support the new capabilities. More recently new data have become available and have now been incorporated into MCNP6, correcting a few issues with the previous work, and adding new sets of cross sections that were not included in eprdata12. The purpose of this paper is to introduce these newer changes and enhancements, which will be included with the next public release of the MCNP6 code system. The database that supports these developments relies on an evolving set of libraries originally released by D. E. Cullen and collaborators as separate data for photo-atomic interactions (EPDL), atomic relaxation (EADL), and electro-atomic interactions (EEDL). An updated version of this release was officially adopted in the ENDF/B VI.8 release of the Evaluated Nuclear Data File and it was this source that was used to produce the ACE (A Compact ENDF) format library eprdata12 for use in the initial production release of MCNP6.1 (and the subsequent interim release MCNP6.1.1). The latest improved version of this database was released by Cullen in 2014. This is the EPICS2014 collection, which includes both an ENDF-formatted file and separate EPDL, EADL, and EEDL files. In the area of photon-electron transport and atomic-relaxation, the newest enhancements to the current version of MCNP6 (scheduled for release as MCNP6.2) are primarily based on improvements and additions drawn from the EPICS2014 data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗