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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Porous graphitic carbon nitride nanosheets by pre-polymerization for enhanced photocatalysis

Highlights: • A porous g-C{sub 3}N{sub 4} nanosheet is synthesized by a simple pre-polymerization method. • A large surface area and pore volume are obtained. • Formation mechanism of the porous structure is discussed. • Photocatalytic hydrogen evolution and degradation performances are both enhanced. - Abstract: A facile and green method was developed to fabricate porous graphitic carbon nitride (g-C{sub 3}N{sub 4}) nanosheets by simply pre-polymerizing melamine at 350 °C for 2 h. A porous structure was formed in the resulted g-C{sub 3}N{sub 4} (CN-350). Consequently, the specific surface area and pore volume of CN-350 was greatly enhanced, resulting in superior performance in photocatalytic hydrogen evolution and dye degradation. The hydrogen evolution rate and degradation constant of CN-350 were 11.2 and 8.8 times higher than that of bulk g-C{sub 3}N{sub 4} under visible light irradiation. The porous structure not only provided CN-350 with abundant active catalytic sites and cross-plane diffusion channels to facilitate the charge and mass transportation, but also promoted the charge separation in the photocatalytic reaction. This work provided a promising method for mass-production of highly active and stable g-C{sub 3}N{sub 4}-based photocatalysts for environmental and energetic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Chemical Solution Derived Planarization Layers for Highly Aligned IBAD MgO Templates

The main goal of this research is to develop a chemical solution derived planarization layer to fabricate highly aligned IBAD-MgO templates for the development of high temperature superconductor (HTS) based coated conductors. The standard IBAD-MgO template needs an additional electrochemical polishing step of the mechanically polished 50- m-thick Hastelloy C-276 substrates to ensure a flat and smooth surface for subsequent growth of multi-layer buffer architectures, which include: sputtered 80-nm Al2O3; sputtered 7-nm Y2O3; IBAD 10-nm MgO; sputtered 30-nm homo-epi MgO; and sputtered 30-nm LaMnO3 (LMO) layers. We have successfully developed a solution planarization layer that removes the electrochemical polishing step and also acts as a barrier layer. Crack-free, smooth Al2O3 layers were prepared on mechanically polished Hastelloy substrates using a chemical solution process. A nearly 10-15-nm thick Al2O3 layer was formed with each coating and the coating was repeated several times to achieve the desired film thickness with intermediate heat-treatments after each coating. The Al2O3 planarization layer significantly reduced the surface roughness of the substrate. The average surface roughness value, Ra for a starting substrate was 9-10 nm. After 8 coatings of Al2O3 layer, the Ra was reduced to 2 nm. Highly aligned IBAD-MgO layers with out-of-plane and in-plane textures comparable to the standard IBAD-MgO layers were successfully deposited on top of the solution planarization Al2O3 layers with an Y2O3 nucleation layer using a reel-to-reel ion-beam sputtering system. Both homo-epi MgO and LMO layers were subsequently deposited on the IBAD-MgO layers using rf sputtering to complete the buffer stack required for the growth of HTS films. YBa2Cu3O7- (YBCO) films with a thickness of 0.8 m deposited on these IBAD-MgO templates by pulsed laser deposition showed a high self-field critical current density, Jc of 3.04 MA/cm2 at 77 K and 6.05 MA/cm2 at 65 K. These results demonstrate that a low-cost chemical-solution-based, high-throughput Al2O3 planarization layer can remove the electro-polishing step and replace sputtered Al2O3 layers for the production of high Jc YBCO-coated conductors.

Paranthaman, Mariappan Parans↗
DOE OSTI2022

Initial study on cross-section generation requirements for a PBR equilibrium core

A Serpent model of the equilibrium core HTR-PM small modular nuclear reactor in China, was developed for use in cross-section preparation studies in order to guide methods development for the Griffin reactor multiphysics application. The model includes detailed isotopics for 10 distinct pebble burnup groups in 126 core zones with unique fuel and moderator temperatures obtained from a coupled neutronics-thermal-fluids equilibrium core calculation using Griffin-Pronghorn. A sensitivity study of the fuel and moderator temperatures for various core regions was performed with the MOOSE stochastic tools. The results show that the uncertainties are, not unexpectedly, dominated by the value of the fluid temperature and that the power level, heat transfer coefficient and effective conduction to neighboring pebbles and fluid constitute, at best, second order effects. The temperature uncertainty range varies from 28 K to 57 K between the core entry and exit planes, respectively, but these values are probably higher. We still have to quantify the significance of these uncertainties in the preparation of cross-sections in future work. In addition, we verified that the effective pebble approximation used in the PEBBED and V.S.O.P. computer codes works well for the preparation of region averaged cross-sections. Nevertheless, there are some discrepancies in the cross-sections when compared to the multi-pebble model, which could affect the prediction of peak values and the depletion calculation. We conclude that is highly desirable for future studies with Griffin to be able to handle both the 'effective' pebble approximation and the multi-pebble approach for various pebble burnup groups. This enables Griffin users with the flexibility to perform higher-fidelity studies. Finally, we initiated the preparation of cross-sections for various core regions from the full core Serpent reference model. We quantified the differences in 26 group cross-sections from infinite domain models versus the full core approach. These reference cross-sections will serve to verify the double heterogeneity, self-shielding, and spectrum-correction methods in Griffin. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Solution of Heliospheric Propagation: Unveiling the Local Interstellar Spectra of Cosmic-ray Species

Local interstellar spectra (LIS) for protons, helium, and antiprotons are built using the most recent experimental results combined with state-of-the-art models for propagation in the Galaxy and heliosphere. Two propagation packages, GALPROP and HelMod, are combined to provide a single framework that is run to reproduce direct measurements of cosmic-ray (CR) species at different modulation levels and at both polarities of the solar magnetic field. To do so in a self-consistent way, an iterative procedure was developed, where the GALPROP LIS output is fed into HelMod, providing modulated spectra for specific time periods of selected experiments to compare with the data; the HelMod parameter optimization is performed at this stage and looped back to adjust the LIS using the new GALPROP run. The parameters were tuned with the maximum likelihood procedure using an extensive data set of proton spectra from 1997 to 2015. The proposed LIS accommodate both the low-energy interstellar CR spectra measured by Voyager 1 and the high-energy observations by BESS, Pamela, AMS-01, and AMS-02 made from the balloons and near-Earth payloads; it also accounts for Ulysses counting rate features measured out of the ecliptic plane. The found solution is in a good agreement with proton, helium, and antiproton data by AMS-02, BESS, and PAMELA in the whole energy range.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

HSW-V v1.0: localized injections of interactive volcanic aerosols and their climate impacts in a simple general circulation model

Abstract. A new set of standalone parameterizations is presented for simulating the injection, evolution, and radiative forcing by stratospheric volcanic aerosols against an idealized Held–Suarez–Williamson (HSW) atmospheric background in the Energy Exascale Earth System Model version 2 (E3SMv2). In this model configuration (HSW with enabled volcanism, HSW-V), sulfur dioxide (SO2) and ash are injected into the atmosphere with a specified profile in the vertical, and they proceed to follow a simple exponential decay. The SO2 decay is modeled as a perfect conversion to a long-living sulfate aerosol which persists in the stratosphere. All three species are implemented as tracers in the model framework and are transported by the dynamical core's advection algorithm. The aerosols contribute simultaneously to local heating of the stratosphere and cooling of the surface by a simple plane-parallel Beer–Lambert law applied on two zonally symmetric radiation broadbands in the longwave and shortwave ranges. It is shown that the implementation parameters can be tuned to produce realistic temperature anomaly signatures of large volcanic events. In particular, results are shown for an ensemble of runs that mimic the volcanic eruption of Mt. Pinatubo in 1991. The design requires no coupling to microphysical subgrid-scale parameterizations and thus approaches the computational affordability of prescribed aerosol forcing strategies. The idealized simulations contain a single isolated volcanic event against a statistically uniform climate, where no background aerosols or other sources of externally forced variability are present. HSW-V represents a simpler-to-understand tool for the development of climate source-to-impact attribution methods.

Hollowed, Joseph P. (ORCID:0000000286581672)↗
DOE OSTI2025

Feature review of photovoltaic modeling software utilizing blind performance assessment

While confidence in photovoltaic (PV) modeling software has always been essential, the rapid pace of new PV plant developments makes accuracy and credibility more critical than ever. Independent assessments, particularly through blind modeling comparisons, are therefore necessary to ensure unbiased benchmarking across PV modeling software. Previous studies have been limited by a narrow range of models compared, anonymized results, or system size. This study presents results from the first-ever onymous blind modeling comparison, evaluated using both lab- and utility-scale fixed-tilt, monofacial, south-facing systems at sub-hourly time intervals. Seven commercially used PV software tools were compared: 3E SynaptiQ, PlantPredict, PVsyst, RatedPower, SAM, SolarFarmer, and Solargis Evaluate. Predictions were submitted directly by software representatives, providing unique insights into each software’s implementation and resulting prediction behavior. Notable features, including plane-of-array (POA) transposition model, module temperature model, shading model, and performance model were analyzed and compared. Four summary tables compile these features of the software, serving as a resource to help users understand the methodological differences and select the most suitable software for their applications. The software tools show deviations from mean error in annual yield up to 2.5 % in the lab-scale system, increasing to 6.0 % for the utility-scale system. These differences arise from a combination of user decisions and the inherent behavior of the software, indicating the need for continuous and rigorous validation of modeling methods using these software tools against complex, real-world systems.

14 SOLAR ENERGY↗
DOE OSTI2024

X-ray sources for in situ wavelength calibration of x-ray imaging crystal spectrometers

X-ray sources for a range of wavelengths are being considered for in situ calibration of X-ray Imaging Crystal Spectrometers (XICSs) and for monitoring line shifts due to changes in the crystal temperature, which can vary during experimental operation over a day [A. Ince-Cushman et al., Rev. Sci. Instrum. 79, 10E302 (2008), L. Delgado-Aparicio et al., Plasma Phys. Control. Fusion 55, 125011 (2013)]. Such crystal temperature dependent shifts, if not accounted for, could be erroneously interpreted as Doppler shifts leading to errors in plasma flow-velocity measurements. The x-ray sources encompass characteristic x-ray lines falling within the wavelength range of 0.9–4.0 Å, relevant for the XICSs on present and future fusion devices. Several technological challenges associated with the development of x-ray sources for in situ calibration are identified and are being addressed in the design of multiple x-ray tubes, which will be installed inside the spectrometer housing of the XICS for the JT-60SA tokamak. These x-ray sources will be especially useful for in situ calibration between plasma discharges. Here, in this paper, laboratory experiments are described that were conducted with a Cu x-ray source, a heated quartz (102) crystal, and a pixelated Pilatus detector to measure the temperature dependent shifts of the Cu Kα 1 and Kα 2 lines at 1.5405 and 1.5443 Å, respectively, and to evaluate the 2d-lattice constant for the Bragg reflecting crystal planes as a function of temperature, which, in the case of in situ wavelength calibration, would have to be used for numerical analysis of the x-ray spectra from the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Improving equations of state calibrations in the toroidal DAC—The case study of molybdenum

We report an updated isothermal equation of state (EoS) of molybdenum (Mo) obtained by compression in beveled and toroidal diamond-anvil cells (DACs). For an improved compression environment, we developed a copper (Cu) pressure-transmitting medium (PTM) for the toroidal diamond-anvil cell samples, as it is a soft metal compared to Mo with a well calibrated EoS. A Ne PTM was used for the conventional beveled DAC samples. The unit-cell volumes of Mo were measured to 336(1) GPa in the Cu PTM and 231.2(6) GPa in the Ne PTM at room temperature. We additionally calculated elastic stiffness and compliance constants and evaluated the uniaxial stress of Mo and Cu with pressure. A new EoS for Mo is presented from data collected in all sample environments and compared to our theoretical predictions as well as previous compression studies of Mo. The (200) lattice plane of Mo produced the lowest volumes across the pressure range of this study for all compression environments, suggesting that it is less affected by nonhydrostatic stresses in the DAC compared to the other observed diffraction planes. The presented Mo EoS is compatible with extrapolations of EoS fits of Mo in helium (He) within ~1% at 330 GPa. Results from this work demonstrate that compressing a sample in a softer metal in the toroidal DAC can improve the compression environment and result in measured sample volumes comparable to those collected in noble-gas media at multi-megabar conditions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

SU-E-J-157: Improving the Quality of T2-Weighted 4D Magnetic Resonance Imaging for Clinical Evaluation

Purpose: To develop an imaging technique that enables us to acquire T2- weighted 4D Magnetic Resonance Imaging (4DMRI) with sufficient spatial coverage, temporal resolution and spatial resolution for clinical evaluation. Methods: T2-weighed 4DMRI images were acquired from a healthy volunteer using a respiratory amplitude triggered T2-weighted Turbo Spin Echo sequence. 10 respiratory states were used to equally sample the respiratory range based on amplitude (0%, 20%i, 40%i, 60%i, 80%i, 100%, 80%e, 60%e, 40%e and 20%e). To avoid frequent scanning halts, a methodology was devised that split 10 respiratory states into two packages in an interleaved manner and packages were acquired separately. Sixty 3mm sagittal slices at 1.5mm in-plane spatial resolution were acquired to offer good spatial coverage and reasonable spatial resolution. The in-plane field of view was 375mm × 260mm with nominal scan time of 3 minutes 42 seconds. Acquired 2D images at the same respiratory state were combined to form the 3D image set corresponding to that respiratory state and reconstructed in the coronal view to evaluate whether all slices were at the same respiratory state. 3D image sets of 10 respiratory states represented a complete 4D MRI image set. Results: T2-weighted 4DMRI image were acquired in 10 minutes which was within clinical acceptable range. Qualitatively, the acquired MRI images had good image quality for delineation purposes. There were no abrupt position changes in reconstructed coronal images which confirmed that all sagittal slices were in the same respiratory state. Conclusion: We demonstrated it was feasible to acquire T2-weighted 4DMRI image set within a practical amount of time (10 minutes) that had good temporal resolution (10 respiratory states), spatial resolution (1.5mm × 1.5mm × 3.0mm) and spatial coverage (60 slices) for future clinical evaluation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

TH-EF-BRB-09: Total Body Irradiation with Uniform MU and Modulated Arc Segments, UMMS-TBI

Purpose: To test a novel total body irradiation (TBI) system using conformal partial arc with patient lying on the stationary couch which is biologically equivalent to a moving couch TBI. This improves the scanning field TBI, which is previously presented. Methods: The Uniform MU Modulated arc Segments TBI or UMMS-TBI scans the treatment plane with a constant machine dose rate and a constant gantry rotation speed. A dynamic MLC pattern which moves while gantry rotates has been designed so that the treatment field moves same distance at the treatment plane per each gantry angle, while maintaining same treatment field size (34cm) at the plane. Dose across the plane varies due to the geometric differences including the distance from the source to a point of interest and the different attenuation from the slanted depth which changes the effective depth. Beam intensity is modulated to correct the dose variation across the plane by assigning the number of gantry angles inversely proportional to the uncorrected dose. Results: Measured dose and calculated dose matched within 1 % for central axis and 3% for off axis for various patient scenarios. Dose from different distance does not follow the inverse square relation as it is predicted from calculation. Dose uniformity better than 5% across 180 cm at 10cm depth is achieved by moving the gantry from −55 to +55 deg. Total treatment time for 2 Gy AP/PA fields is 40–50 minutes excluding patient set up time, at the machine dose rate of 200 MU/min. Conclusion: This novel technique, yet accurate but easy to implement enables TBI treatment in a small treatment room with less program development preparation than other techniques. The VMAT function of treatment delivery is not required to modulate beams. One delivery pattern can be used for different patients by changing the monitor units.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Initial study on cross section generation requirements for a PBR equilibrium core

A Serpent model of the HTR-PM equilibrium core was developed for use in cross section prepa-ration studies in order to guide methods development for the Griffin reactor multiphysics applica-tion. The model includes detailed isotopics for 10 distinct pebble burnup groups in 126 core zoneswith unique fuel and moderator temperatures obtained from a coupled neutronics-thermal-fluidsequilibrium core calculation using Griffin-Pronghorn. A sensitivity study of the fuel and mod-erator temperatures for various core regions was performed with the MOOSE stochastic tools.The results show that the uncertainties are, not unexpectedly, dominated by the value of the fluidtemperature and that the power level, heat transfer coefficient and effective conduction to neigh-boring pebbles and fluid constitute, at best, second order effects. The temperature uncertaintyrange varies from 28 K to 57 K at the core entry and exit planes, respectively, but these val-ues are probably higher. We still have to quantify the significance of these uncertainties in thepreparation of cross sections, which will be postponed for future work. In addition, we verifythat the single effective pebble approach works well for the preparation of region averaged crosssections in the infinite domain approximation. Nevertheless, there are significant discrepanciesin the cross sections when compared to the multi-pebble model. This could affect the predictionof peak values and in the depletion calculation. We conclude that is highly desirable for futurestudies with Griffin to be able to handle both the ?effective? pebble approximation and the multi-pebble approach for the various pebble burnup groups. This enables Griffin users the flexibilityto perform higher-fidelity studies. Finally, we initiate the preparation of cross sections for variouscore regions from the full core Serpent reference model. We quantify the differences in 26 groupcross sections from infinite domain models. These reference cross sections will serve to validatethe double heterogeneity, self-shielding, and spectrum-correction methods in Griffin.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

Fundamental Understanding of the Interaction of Acid Gases with CeO 2 : From Surface Science to Practical Catalysis

Acid gases including CO 2 , SO 2 , and NO x are ubiquitous in large-scale energy applications including heterogeneous catalysis. The adverse environmental and health effects of these acid gases have resulted in high interest in the research and development of technologies to remove or convert these acid gases. The main challenge for the development of these technologies is to develop catalysts that are highly efficient, stable, and cost-effective, and many catalysts have been reported in this regard. CeO 2 and CeO 2 -based catalysts have gained prominence in the removal and conversion of CO 2 , SO 2 , and NO x because of their structural robustness and redox and acid–base properties. In this article, we provide a brief overview of the application of CeO 2 and CeO 2 -based catalysts for the removal of CO 2 , SO 2 , and NO x gases with an emphasis on the fundamental understanding of the interactions of these acid gases with CeO 2 . The studies summarized in this review range from surface science using single crystals and thin films with precise crystallographic planes to practical catalysis applications of nanocrystalline and polycrystalline CeO 2 materials with defects and dopants. After an introduction to the properties of CeO 2 surfaces, their catalytic properties for conversions of different acid gases are reviewed and discussed. Lastly, we find that the surface atomic structure, oxygen vacancies, and surface acid–base properties of CeO 2 play vital roles in the surface chemistry and structure evolution during the interactions of acid gases with CeO 2 and CeO 2 -based catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Structure and Orientation of Molecular Wires Embedded in Ultrathin Silica Membrane for Artificial Photosynthesis Elucidated by Polarized FT-IRRAS

Surface sensitive infrared spectroscopic methods are employed for elucidating the structure and orientation of charge conducting molecular wires of type oligo(p-phenylenevinylene) covalently anchored on an ultrathin planar Co oxide catalyst surface and embedded in a few nanometer thick amorphous silica membrane. Comparison of polarized FT-IRRAS with nonpolarized grazing angle ATR FT-IR spectra of nanolayer samples supported on a flat Pt surface and transmission spectra of powder samples showed distinct intensity differences for molecular in-plane and out-of-plane modes that reveal the spatial orientation with respect to the oxide surface. All observations support an upright orientation of the molecular wire axis, which is further confirmed by comparison with IRRAS measurements of physisorbed, horizontally positioned wire molecules. The structural integrity of the molecules is maintained after embedding in the silica membrane by plasma-enhanced atomic layer deposition at 40 °C. The results provide the first spectroscopic evidence of perpendicular orientation of the wire molecules. The complementary surface sensitive infrared measurements by FT-IRRAS and grazing angle ATR FT-IR constitute a powerful approach for elucidating the structure and orientation of surface-anchored molecules and the integrity upon casting into oxide layers such as silica for developing artificial photosystems. Use of the nanolayer construct in IRRAS spectroelectrochemical cell configuration will enable in situ monitoring of the structural and orientation integrity of the silica embedded molecular wires under the sustained electron and proton flux conditions of photocatalytic operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Verifying Ray Tracing Amplitude Methods for Global Magnetospheric Modeling

Abstract Ray tracing is a commonly used method for modeling the propagation of electromagnetic waves in Earth's magnetosphere. To apply ray tracing results to global models of wave‐particle interaction such as energetic electron scattering, it is useful to map the discrete rays to a volume filling mesh. However, some methods have inherent losses of energy from the wave source, or do not account for the full range of wave properties within a sample volume. We have developed and tested a 3D magnetospheric ray tracing code “MESHRAY” which resolves these issues. MESHRAY uses the conservation of Poynting flux through ray triplets with finite volume to determine the local field amplitudes. Electromagnetic wave energy density from all ray data points is mapped to a mesh and verified against the wave source power for energy conservation varying time step length, number of rays, and total time steps. We find that the method is self‐consistent and numerically robust. We further investigate whether the neglect of phase information and superposition has a significant impact on the accuracy of mapping wave intensity to a mesh. We find excellent agreement between the analytic solution for waves emitted by a line source in a plane‐stratified medium and an equivalent ray tracing solution. When phase information is excluded, ray tracing reproduces an average amplitude spread over regions of coherent constructive and destructive interference. This may be an important consideration for interpolating ray tracing results of longer wavelength waves such as magnetosonic, electromagnetic ion cyclotron, or ULF waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Quantitative and high spatial resolution d{sub 33} measurement of piezoelectric bulk and thin films

A single beam laser interferometer based on a modified Mirau detection scheme with a vertical resolution of ∼5 pm was developed for localized d{sub 33} measurements on patterned piezoelectric films. The tool provides high spatial resolution (∼2 μm), essential for understanding scaling and processing effects in piezoelectric materials. This approach enables quantitative information on d{sub 33}, currently difficult in local measurement techniques such as piezoresponse force microscopy. The interferometer is built in a custom microscope and employs a phase lock-in technique in order to detect sub-Angstrom displacements. d{sub 33} measurements on single crystal 0.67PbMg{sub 0.33}Nb{sub 0.67}O{sub 3}-0.33PbTiO{sub 3} and bulk PbZrTiO{sub 3}-5A ceramics demonstrated agreement within <3% with measurements using a double beam laser interferometer. Substrate bending contributions to out-of-plane strain, observed in thin continuous PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} films grown on Si substrates is reduced for electrode diameters smaller than 100 μm. Direct scanning across room temperature and 150 °C poled 5 μm and 10 μm features etched in 0.5 μm thick PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} films doped with 1% Nb confirmed minimal substrate contributions to the effective d{sub 33,f}. Furthermore, enhanced d{sub 33,f} values were observed along the feature edges due to partial declamping from the substrate, thus validating the application of single beam interferometry on finely patterned electrodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

MOOSE Reactor Module: An Open-Source Capability for Meshing Nuclear Reactor Geometries

The U.S. Department of Energy (DOE) Nuclear Energy Advanced Modeling and Simulation (NEAMS) program has developed numerous physics solvers utilizing the open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) framework for multiphysics reactor analysis. These solvers require input finite element meshes representing the discretized spatial domain. Typically, reactor analysts turn to licensed tools for the creation of reactor geometry meshes. Recently, open-source functionality has been added to the MOOSE framework to mesh common reactor geometries and improve MOOSE-based nuclear reactor application user workflows. The new functionality is primarily contained in the new Reactor module of MOOSE and includes support for hexagonal pins, assemblies, and cores, extended Cartesian geometry support, options for modeling static and rotating control drums within a hexagonal assembly, core periphery triangulation, and automatic tagging of pin, assembly, plane, and depletion regions for easier post processing of physics results. A set of reactor geometry mesh builder objects further streamlines the construction of hexagonal and Cartesian cores and allows mapping of materials to regions during mesh generation. The meshes produced with the MOOSE Reactor module may be used directly within MOOSE-based applications or exported as Exodus II files for use in other finite element solvers. The tools have been demonstrated and verified using a variety of NEAMS physics solvers on a range of reactor applications, including a sodium-cooled fast reactor core analysis using Griffin, a fast reactor assembly thermal deformation analysis using MOOSE Tensor Mechanics, and a heat pipe–cooled microreactor coupled analysis using Griffin, Bison, and Sockeye. MOOSE’s Reactor module provides significant advantages compared to the use of external meshing tools when analyzing Cartesian and hexagonal reactor lattices using MOOSE-based applications: immediate accessibility (open-source) to the end user, low barrier to entry for new users, speed of mesh generation, volume preservation of meshed fuel pins, and simplification of analysis workflow when used in conjunction with MOOSE-based applications.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

Strength and deformation of shocked diamond single crystals: Orientation dependence

Understanding and quantifying the strength or elastic limit of diamond single crystals is of considerable scientific and technological importance, and has been a subject of long standing theoretical and experimental interest. To examine the effect of crystalline anisotropy on strength and deformation of shocked diamond single crystals, plate impact experiments were conducted to measure wave profiles at various elastic impact stresses up to ~120 GPa along [110] and [111] crystal orientations. Using laser interferometry, particle velocity histories and shock velocities in the diamond samples were measured and were compared with similar measurements published previously for shock compression along the [100] direction. Wave profiles for all three orientations showed large elastic wave amplitudes followed by time-dependent inelastic deformation. From the measured wave profiles, the elastic limits were determined under well characterized uniaxial strain loading conditions. The measured elastic wave amplitudes for the [110] and [111] orientations were lower for higher elastic impact stress (stress attained for an elastic diamond response), consistent with the result reported previously for [100] diamond. The maximum resolved shear stress (MRSS) on the {111}<110> slip systems was determined for each orientation, revealing significant orientation dependence. The MRSS values for the [100] and [110] orientations (~33 GPa) are 25-30% of theoretical estimates; the MRSS value for the [111] orientation is significantly lower (~23 GPa). Our results demonstrate that the MRSS depends strongly on the stress component normal to the {111} planes or the resolved normal stress (RNS), suggesting that the RNS plays a key role in inhibiting the onset of inelastic deformation. Lower elastic wave amplitudes at higher peak stress and the effect of the RNS are inconsistent with typical dislocation slip mechanisms of inelastic deformation, suggesting instead an inelastic response characteristic of shocked brittle solids. The present results show that the elastic limit (or material strength) of diamond single crystals cannot be described using traditional isotropic approaches, and typical plasticity models cannot be used to describe the inelastic deformation of diamond. Analysis of the measured wave profiles beyond the elastic limit, including characterization of the peak state, requires numerical simulations that incorporate a time-dependent, anisotropic, inelastic deformation response. Development of such a material description for diamond is an important need.

36 MATERIALS SCIENCE↗