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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 55 records · Page 3

Thermal Analysis Of Saltstone Disposal Units

SRR requested that SRNL develop a two-dimensional computer simulation model to be capable of predicting grout temperatures attained in Saltstone Disposal Units (SDUs) during the transient addition of saltstone grout and its subsequent storage period. A simulation model was developed to calculate the transient grout temperatures of the SDU facility by taking an axisymmetric and two-dimensional Computational Fluid Dynamics (CFD) approach. The final performance calculations were based on the conduction and radiation model without a convection cooling mechanism for conservative estimate of the grout temperatures and computational efficiency. While convection within the SDU is disabled in the current calculations, the simulation model has the capability of turning convection back on if desired by the user. Hence, the thermal model in its current configuration is best characterized as a finite-volume heat transfer model. However, given that the model can account for convection if desired by the user, it will be referred to as a CFD model. The grout material contains a transient heat source due to the exothermic hydration reactions of the cementitious material mixed with salt solution. The model can predict the transient temperatures at point locations within the poured grout and the overlying vapor space, and at the interior and exterior surfaces of the structure. The thermal model has been developed for two SDUs at the Savannah River Site (SRS); namely, SDU 2A and SDU 6. SDU 2A is a cylindrical unit measuring 150 feet (ft) in diameter, 22 ft tall, and holds approximately three million gallons of grout. SDU 6 is 375 ft in diameter and 43 ft high with a capacity of over thirty million gallons. Prior to performing the thermal calculations for the SDU 6 facility, the benchmarking test for the smaller SDU 2A unit was performed to establish the solution method and to verify the computational results using existing thermocouple data. Based on the Lagrangian discrete method and boundary conditions established by the SDU 2A benchmarking test, the CFD calculations were performed to predict the transient temperatures at local positions of the poured grout and air spaces within the SDU 6 structure.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Fast Flux Test Facility Benchmark Status for FY19

The Department of Energy’s Office of Nuclear Energy Advanced Reactor Technologies (ART) Program works on promising Generation-IV R&D. The Program focus is on reactor concepts that could dramatically improve performance in sustainability, safety, economics, security, and proliferation resistance. The near-term ART Program goal is to reduce technical barriers (e.g., by resolving key feasibility and performance challenges) to improve the prospects of advanced technology reactor systems. In the long-term, integrated advanced reactor system designs will be developed that implement the chosen missions and complete the testing and demonstration necessary for licensing. The Fast Flux Test Facility (FFTF) is the most recent Liquid Metal Reactor (LMR) to operate in the United States, from 1982 to 1992. The plant description and plant data from one specific passive safety test is now an International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP). This report is one in a series documenting the PNNL efforts to support this FFTF loss of flow benchmark for the IAEA.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A time-implicit numerical method and benchmarks for the relativistic Vlasov–Ampere equations

We present a time-implicit numerical method to solve the relativistic Vlasov–Ampere system of equations on a two dimensional phase space grid. The time-splitting algorithm we use allows the generalization of the work presented here to higher dimensions keeping the linear aspect of the resulting discrete set of equations. The implicit method is benchmarked against linear theory results for the relativistic Landau damping for which analytical expressions using the Maxwell-Jüttner distribution function are derived. We note that, independently from the shape of the distribution function, the relativistic treatment features collective behaviours that do not exist in the nonrelativistic case. The numerical study of the relativistic two-stream instability completes the set of benchmarking tests.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Assessment of the Lagrange Discrete Ordinates Equations for Three-Dimensional Neutron Transport

The Lagrange Discrete Ordinates (LDO) equations, developed by Ahrens as an alternative to the traditional discrete ordinates formulation, have been implemented in Denovo, a threedimensional radiation transport code developed by Oak Ridge National Laboratory. The LDO equations retain the formal structure of the classical discrete ordinates equations but treat particle scattering in a different way. Solutions of the LDO equations have an interpolatory structure such that the angular flux can be naturally evaluated at directions other than the discrete ordinates used in arriving at the solutions, and the ordinates themselves may be chosen in a strategic way for the problem under consideration. Of particular interest is that the LDO equations have been shown to mitigate ray effects at increased angular resolutions. In this paper we present scalar flux solutions of the LDO equations for a small number of test cases of interest and compare the results against flux solutions generated using standard quadrature types. The LDO equations’ flux solutions were found to be comparable to those resultant from the standard quadrature types in value; results from the LDO equations were also found to be commensurate with those of standard quadrature types when comparing the flux solutions in the context of the experimental benchmark test case examined.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Revisiting numerical real-space renormalization group for quantum lattice systems

Highlights: •A regularized scheme of the NRG algorithm is proposed. •The method overcomes the boundary obstacle in applying the NRG to quantum lattices. •Extension of the scheme to 2D lattices is illustrated. •Benchmark test on the Heisenberg antiferromagnet demonstrates its numerical validity. -- Abstract: Although substantial progress has been achieved in solving quantum impurity problems, the numerical renormalization group (NRG) method generally performs poorly when applied to quantum lattice systems in a real-space blocking form. The approach was thought to be unpromising for most lattice systems owing to its flaw in dealing with the boundaries of the block. Here the discovery of intrinsic prescriptions to cure interblock interactions is proposed which is able to clear up the boundary obstacle in applying the NRG to quantum lattice systems. While the resulting RG transformation turns out to be strict in the thermodynamic limit, benchmark tests of the algorithm on a one-dimensional Heisenberg antiferromagnet and a two-dimensional tight-binding model demonstrate its numerical efficiency in resolving low-energy spectra for finite lattice systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Commissioning and benchmarking a 3D dosimetry system for clinical use

Purpose: A 3D dosimetry system is described which consists of two parts: a radiochromic plastic dosimeter PRESAGE (which responds to absorbed dose with a linear change in optical-density) and the Duke large-field-of-view optical-CT scanner (DLOS). The DLOS/PRESAGE system has recently been commissioned and benchmarked for clinical use and, in particular, for verification and commissioning of complex radiation treatments. Methods: DLOS commissioning involved determining the dynamic range, spatial resolution, noise, temporal, and other characteristics of the light source and imaging components. Benchmarking tests were performed on the combined DLOS/PRESAGE system to establish baseline dosimetric performance. The tests consisted of delivering simple radiation treatments to PRESAGE dosimeters, and comparing the measured 3D relative dose distributions with the known gold standard. The gold standard distribution was obtained from machine beam-data or the treatment planning system (TPS). All studies used standardized procedures to ensure consistency. Results: For commissioning, isotropic spatial resolution was submillimeter (MTF > 0.5 for frequencies of 1.5 lp/mm) and the dynamic range was {approx}60 dB. Flood field uniformity was within 10% and stable after 45 min of warm-up. Stray-light is small, due to telecentricity, but even the residual can be removed through deconvolution by a point-spread-function. For benchmarking, the mean 3D passing NDD (normalized dose distribution) rate (3%, 3mm, 5% dose threshold) over the benchmark data sets was 97.3% {+-} 0.6% (range 96%-98%), which is on par with other planar dosimeters used in external beam radiation therapy indicating excellent agreement. Noise was low at <2% of maximum dose (4-12 Gy) for 2 mm reconstructions. The telecentric design was critical to enabling fast imaging with minimal stray-light artifacts. Conclusions: This work presents the first comprehensive benchmarking of a 3D dosimetry system for clinical use. The DLOS/PRESAGE benchmark tests show consistently good agreement to simple known distributions. The system produces accurate isotropic 2 mm dose data over clinical volumes (e.g., 16 cm diameter phantoms, 12 cm height), in under 15 min. It represents a uniquely useful and versatile new tool for commissioning and verification of complex therapy treatments.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fluid Stratification Separate Effects Analysis, Testing and Benchmarking

High Temperature Gas Reactors (HTGRs) are positioned to disrupt local and global markets via their unique ability to produce carbon-free process heat, high efficiency power generation, and passively safe operational features. However, significant impediments still exist to delay deployment of this particular technology, including a lack of experimental data, verified code application, and lack of consensus with regards to severe accident progression. In particular, air ingress accidents represent a particular challenge to designers and engineers, as they represent low probability, but highly complex, accident scenarios. Including phenomena such as molecular diffusion, free convection, and complex heat and mass transfer paths, experimental and traceable data is essential to maturing the state of the industry. Therefore, this work presents an experimental investigation of the transition to natural convection in HTGR applications using the Stratified Flow Separate Effects Test Facility, housed at Oregon State University. In particular, this work will present data that challenges the assumption that molecular diffusion is a significant factor in this severe accident in the reference facility of the General Atomic 600 MW th Gas Turbine-Modular Helium Reactor (GT-MHR). Rather, experimentally produced data shows a statistically suggestive retardant effect of cross duct orientation, indicating that ingress mechanics may be fundamentally altered via facility geometry. Experimentally, this is achieved using a simplified cross duct that may be positioned in one of two ways so as to provide either horizontal or vertical access to the lower plenum area. Onset of natural convection (ONC) is measured using an oxygen sensor probe, immersed in the helium working fluid, so as to provide direct indication of air presence in the upper plenum. This document will present the doctoral dissertation produced by this work, along with its analysis, experimental data, observations, and conclusions, in addition to select documents that will highlight critical changes during the development process. Those documents will include the quality assurance plan, all subsequent change requests, and the engineering transfer from Harris Thermal in order to establish the most complete quality record possible.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Hybrid Correlation Energy (HyCE): An Approach Based on Separate Evaluations of Internal and External Components

In this work, a novel hybrid correlation energy (HyCE) approach is proposed that determines the total correlation energy via distinct computation of its internal and external components. This approach evolved from two related studies. First, rigorous assessment of the accuracies and size extensivities of a number of electron correlation methods, that include perturbation theory (PT2), coupled-cluster (CC), configuration interaction (CI), and coupled electron pair approximation (CEPA), shows that the CEPA(0) variant of the latter and triples-corrected CC methods consistently perform very similarly. These findings were obtained by comparison to near full CI results for four small molecules and by charting recovered correlation energies for six steadily growing chain systems. Second, by generating valence virtual orbitals (VVOs) and utilizing the CEPA(0) method, we were able to partition total correlation energies into internal (or nondynamic) and external (or dynamic) parts for the aforementioned six chain systems and a benchmark test bed of 36 molecules. When using triple-ζ basis sets it was found that per orbital internal correlation energies were appreciably larger than per orbital external energies and that the former showed far more chemical variation than the latter. Additionally, accumulations of external correlation energies were seen to proceed smoothly, and somewhat linearly, as the virtual space is gradually increased. Combination of these two studies led to development of the HyCE approach, whereby the internal and external correlation energies are determined separately by CEPA(0)/VVO and PT2/external calculations, respectively. When applied to the six chain systems and the 36-molecule benchmark test set it was found that HyCE energies followed closely those of triples-corrected CC and CEPA(0) while easily outperforming MP2 and CCSD. Lastly, the success of the HyCE approach is more notable when considering that its cost is only slightly more than MP2 and significantly cheaper than the CC approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heat Transfer Coefficients of Additively Manufactured Tubes with Internal Pin Fins for Supercritical Carbon Dioxide Cycle Recuperators

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO 2 flowing in additively manufactured tubes with internal pin fins at the US DOE’s National Energy Technology Laboratory in Morgantown, WV. The measurement procedures were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over Reynolds numbers (ReD) ranging from 5 × 10 4 to 2.5 × 10 5 , measured Nu was within 5% of the Dittus-Boelter correlation and measured friction factors were within 5% of the McAdams correlation for smooth tube flow. The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section and were printed at a 30⁰ angle relative to the inner wall (to meet AM constraints). The pin arrangement was helical to promote enhanced heat transfer due to swirl flow. Pin length to diameter aspect ratio was 1.33, 2, and 8, while the pin diameter to tube diameter ratio was 0.188, 0.125, and 0.063. Tests were performed for ReD varying from 6.9 × 10 4 to 2.2 × 10 5 and at conditions equivalent to the low pressure (LP) outlet (8.69 MPa, 361 K) and the high pressure (HP) inlet (20.7 MPa, 350 K) of the low temperature recuperator (LTR) in an indirect sCO 2 cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients. For the best performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.19), the local heat transfer coefficient increased by 136% relative to the Dittus-Boelter correlation at the LTR low pressure outlet and 194% at the LTR high pressure inlet. These correspond to a 282% and a 271% increase in the product of the heat transfer coefficient and surface area (adjusted for fin efficiency) product, respectively. Large pressure drops across the test articles were observed. For Tube Design A, the average friction factor, across the range of ReD considered, was significantly larger than the McAdams correlation at both the LTR LP outlet and the LTR HP inlet. A thermal performance factor was utilized to express the ratio of material required to build a finned heat exchanger relative to a finless heat exchanger with the same heat duty and pumping power. Tube Design A was estimated to decrease the required heat exchanger material by 13%.

Searle, Matthew↗

A fast two-stage algorithm for non-negative matrix factorization in smoothly varying data

This article reports the study of algorithms for non-negative matrix factorization (NMF) in various applications involving smoothly varying data such as time or temperature series diffraction data on a dense grid of points. Utilizing the continual nature of the data, a fast two-stage algorithm is developed for highly efficient and accurate NMF. In the first stage, an alternating non-negative least-squares framework is used in combination with the active set method with a warm-start strategy for the solution of subproblems. In the second stage, an interior point method is adopted to accelerate the local convergence. The convergence of the proposed algorithm is proved. The new algorithm is compared with some existing algorithms in benchmark tests using both real-world data and synthetic data. Furthermore, the results demonstrate the advantage of the algorithm in finding high-precision solutions.

interior point method↗

JACC: Leveraging HPC Meta-Programming and Performance Portability with the Just-in-Time and LLVM-based Julia Language

We present JACC (Julia for Accelerators), the first high-level, and performance-portable model for the just-in-time and LLVM-based Julia language. JACC provides a unified and lightweight front end across different back ends available in Julia, enabling the same Julia code to run efficiently on many HPC CPU and GPU targets. We evaluated the performance of JACC for common HPC kernels as well as for the most computationally demanding kernels used in applications, HPCCG, a supercomputing benchmark test for sparse domains, and HARVEY, a blood flow simulator to assist in the diagnosis and treatment of patients suffering from vascular diseases. We carried out the performance analysis on the most advanced US DOE supercomputers: Aurora, Frontier, and Perlmutter. Overall, we show that JACC has a negligible overhead versus vendor-specific solutions, reporting GPU speedups with no extra cost to programmability.

Valero-Lara, Pedro↗

A Benchmark to Test Generalization Capabilities of Deep Learning Methods to Classify Severe Convective Storms in a Changing Climate

Abstract This is a test case study assessing the ability of deep learning methods to generalize to a future climate (end of 21st century) when trained to classify thunderstorms in model output representative of the present‐day climate. A convolutional neural network (CNN) was trained to classify strongly rotating thunderstorms from a current climate created using the Weather Research and Forecasting model at high‐resolution, then evaluated against thunderstorms from a future climate and found to perform with skill and comparatively in both climates. Despite training with labels derived from a threshold value of a severe thunderstorm diagnostic (updraft helicity), which was not used as an input attribute, the CNN learned physical characteristics of organized convection and environments that are not captured by the diagnostic heuristic. Physical features were not prescribed but rather learned from the data, such as the importance of dry air at mid‐levels for intense thunderstorm development when low‐level moisture is present (i.e., convective available potential energy). Explanation techniques also revealed that thunderstorms classified as strongly rotating are associated with learned rotation signatures. Results show that the creation of synthetic data with ground truth is a viable alternative to human‐labeled data and that a CNN is able to generalize a target using learned features that would be difficult to encode due to spatial complexity. Most importantly, results from this study show that deep learning is capable of generalizing to future climate extremes and can exhibit out‐of‐sample robustness with hyperparameter tuning in certain applications.

54 ENVIRONMENTAL SCIENCES↗

Benchmarks and Tests of a Multidimensional Cluster Dynamics Model of Helium Implantation in Tungsten

Here, we present a hierarchical multiscale modeling study of implanted helium (He) segregation near grain boundaries (GBs) of tungsten. We extend our spatially dependent cluster dynamics model to two spatial dimensions in order to take into account the biased drift of mobile He clusters toward the GBs observed in atomic-scale simulations. We are also able to reproduce the results from large-scale molecular dynamics simulations near and away from the GBs at low fluence with the extended cluster dynamics model. We suggest and verify that the sink (surface and GB) strengths are attenuated by the increasing concentration of He clusters at high fluence. This cluster dynamics model continues to set the stage for development of fully atomistically informed, coarse-grained models for computationally efficient predictions of He retention and surface morphological evolution, advancing progress toward the goal of efficient and optimal design of plasma-facing components.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Cross Section Generation Capability in Griffin

The Griffin code is a Multiphysics Object-Oriented Simulation Environment (MOOSE) based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. The code includes a variety of steady-state solvers for fixed-source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. The code reads multigroup cross sections in the ISOXML format generated from external deterministic or Monte Carlo cross section generation codes. The implementation of the cross section generation capability in Griffin was initiated last year by plugging in the cross section application programming interface (CSAPI) and reviewing the methodologies for treating particulate fuels. The focus this year was on improving the CSAPI integration and implementing advanced self-shielding methods for applications to advanced reactor problems with TRISO fuels. First, the process for cross section library generation was updated to accurately and rigorously produce isotopic cross section data. Second, the equivalent Dancoff factor cell method performing slowing down calculations on the fly for the resonance treatment was implemented in CSAPI to improve the accuracy of effective multigroup cross sections in the resonance energy range. Third, the iterative local spatial self-shielding method was implemented under the calculation framework of the equivalent Dancoff factor cell method to accurately deal with the double heterogeneity effect of particulate fuel. The updated CSAPI with the advanced self-shielding methods, together with the cross section libraries generated based on the improved process, were tested for pin-cell, unit-cell, and fuel assembly problems with various resonance self-shielding conditions based on very high temperature reactor, high temperature test reactor, and Empire benchmark cores, indicating that the updated CSAPI in Griffin is able to produce multigroup cross sections accurately and efficiently. We also showed that the methodology worked well for pebble bed fuel from HTR-10, but the capability still needs to be fully integrated into CSAPI. In the future, further benchmark tests will be performed for various thermal reactor core problems, including particulate fuel-based pebble bed reactors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MCNP ® Code V.6.3.0 Release Notes

The Monte Carlo N-Particle ® (MCNP ® ) code is a general-purpose, continuous-energy, generalized geometry, time-dependent, radiation transport code developed by the MCNP development team. The MCNP calculations provide predictive capabilities that can replace expensive or impossible-to perform experiments. Specific application problems include simulations of experimental diagnostics, intrinsic radiation, radiation detection and measurement, criticality safety, nuclear threat reduction and response, radiation health protection, nuclear weapons effects, and nuclear forensics. This MCNP code, version 6.3.0, follows the MCNP6.2.0 version. Since the release of MCNP6.2.0, many changes have been made to the MCNP code. These changes include new or improved features, a new build system, code enhancement and modernization, and bug fixes. The MCNP code, version 6.3.0, theory and user input information is documented in MCNP ® Code Version 6.3.0 Theory & User Manual, the build guidance for various platforms is documented in MCNP ® Code Version 6.3.0 Build Guide, and the verification and validation testing for various application benchmark test suites is documented in MCNP ® Code Version 6.3.0 Verification & Validation Testing.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MCNP® Code Version 6.3.1 Release Notes

The Monte Carlo N-Particle® (MCNP® ) code is a general-purpose, continuous-energy, generalized-geometry, time-dependent, radiation transport code developed by the MCNP development team. MCNP calculations provide predictive capabilities that can replace expensive or impossible-to-perform experiments. Specific application problems include simulations of experimental diagnostics, intrinsic radiation, radiation detection and measurement, criticality safety, nuclear threat reduction and response, radiation health protection, nuclear weapons effects, and nuclear forensics. This MCNP code, version 6.3.1, follows the MCNP6.3.0 version. Since the release of MCNP6.3.0, a variety of bug fixes and code enhancements have been completed for MCNP6.3.1. A few new features have also been added to this release to support both ongoing research and the release of the latest ENDF/B-VIII.1 nuclear data library. The MCNP code, version 6.3.1, theory and user input information is documented in MCNP® Code Version 6.3.1 Theory & User Manual, the build guidance for various platforms is documented in MCNP® Code Version 6.3.1 Build Guide, and the verification and validation testing for various application benchmark test suites is documented in MCNP® Code Version 6.3.1 Verification & Validation Testing.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Best Practices and Testing Protocols for Benchmarking ORR Activities of Fuel Cell Electrocatalysts Using Rotating Disk Electrode

Abstract Thin-film-rotating disk electrodes (TF-RDEs) are the half-cell electrochemical system of choice for rapid screening of oxygen reduction reaction (ORR) activity of novel Pt supported on carbon black supports (Pt/C) electrocatalysts. It has been shown that the magnitude of the measured ORR activity and reproducibility are highly dependent on the system cleanliness, evaluation protocols, and operating conditions as well as ink formulation, composition, film drying, and the resultant film thickness and uniformity. Accurate benchmarks of baseline Pt/C catalysts evaluated using standardized protocols and best practices are necessary to expedite ultra-low-platinum group metal (PGM) catalyst development that is crucial for the imminent commercialization of fuel cell vehicles. We report results of evaluation in three independent laboratories of Pt/C electrocatalysts provided by commercial fuel cell catalyst manufacturers (Johnson Matthey, Umicore, Tanaka Kikinzoku Kogyo—TKK). The studies were conducted using identical evaluation protocols/ink formulation/film fabrication albeit employing unique electrochemical cell designs specific to each laboratory. The ORR activities reported in this work provide a baseline and criteria for selection and scale-up of novel high activity ORR electrocatalysts for implementation in proton exchange membrane fuel cells (PEMFCs).

Kocha, Shyam S.↗