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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 37 records · Page 2

Vidyut3d: A Gpu Accelerated Fluid Solver for Non-Equilibrium Plasmas on Adaptive Grids

We present the numerical methods, programming methodology, verification, and performance assessment of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures, in this work. Our plasma fluid model solves the coupled conservation equations for species transport, electrostatic Poisson and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive-grid/particle management library, AMReX, and is portable over widely available vendor specific GPU architectures. We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth-order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on capacitive discharges and atmospheric pressure streamer propagation. We demonstrate the use of our solver on two 3D simulation cases: an atmospheric streamer propagation in Ar-H2 mixtures and a low pressure twin electrode radio frequency reactor. Our performance studies on three different CPU+GPU architectures indicate approximately 150-400X speed-up using AMD and NVIDIA GPUs per time step compared to a single CPU core for a 4 million cell simulation with 15 species.

Sitaraman, Hariswaran↗

Using Verified Lifting to Optimize Legacy Stencil Codes (Final Project Report)

This project investigated new techniques for compiling stencil and stencil-like computations. Stencils computations are commonly found in applications such as image processing, physical simulations, image processing, and machine learning. In recent years, many high-performance domain-specific languages (DSLs) have been proposed to optimize stencil computations. To leverage such DSLs, however, existing codes often need to be rewritten. Such rewriting is manual, labor intensive, and error-prone. To alleviate such issues, this project investigated the application of program synthesis and artificial learning techniques to enable stencil computations to automatically leverage new high-performance DSLs. Rather than constructing syntax driven rules, verified lifting uses program synthesis to search for a target code fragment to compile the given input code into. In addition, it also searches for a proof that validates how the found target code fragment preserves the semantics of the original input. Thus, the target code fragment is guaranteed to be semantically equivalent to the input.

97 MATHEMATICS AND COMPUTING↗

Development of a Performance Portable Non-Equilibrium Plasma Fluid Solver on Adaptive Grids

This presentation will describe the numerical techniques, programming paradigms, verification, and performance of a non-equilibrium plasma fluid solver that can effectively utilize current and upcoming central processing and graphics processing unit (CPU+GPU) architectures. Our plasma fluid model solves the conservation equations for self-consistent electrostatic Poisson, electron and heavy species transport, and electron temperature on adaptive Cartesian grids. Our solver is written using performance portable adaptive mesh management library, AMReX (Zhang et al., JOSS, 4 (37) 1370, 2019), and can be built and run on widely available vendor specific GPU architectures (NVIDIA/AMD/Intel). We utilize a non-subcycled second order semi-implicit time-stepping method where all adaptive mesh refinement (AMR) levels are advanced with the same time step. The composite multi-level multigrid solver from within AMReX is used for each of the governing equations that are cast into a Helmholtz equation form. We have also developed a python based chemical mechanism parser framework that uses a similar format as CANTERA (Goodwin et al., Zenodo, 2018) yaml files as input. Our custom parser reads the yaml file and provides C++ files with transport and production rate functions that can be executed on both host (CPU) and device (GPU). We present verification of our solver using method of manufactured solutions that indicate formal second order accuracy with central diffusion and fifth order weighted-essentially-non-oscillatory (WENO) advection scheme. We also verify our solver with published literature on low-pressure capacitive and high-pressure streamer discharges. Our initial performance studies indicate 10X speed-up using 20 NVIDIA GPUs versus 200 CPUs for an atmospheric streamer discharge problem solved on a 512 x 1024 x 512 grid.

graphics processing units↗

Snowmass2021 Computational Frontier White Paper: Cosmological Simulations and Modeling

Powerful new observational facilities will come online over the next decade, enabling a number of discovery opportunities in the "Cosmic Frontier", which targets understanding of the physics of the early universe, dark matter and dark energy, and cosmological probes of fundamental physics, such as neutrino masses and modifications of Einstein gravity. Synergies between different experiments will be leveraged to present new classes of cosmic probes as well as to minimize systematic biases present in individual surveys. Success of this observational program requires actively pairing it with a well-matched state-of-the-art simulation and modeling effort. Next-generation cosmological modeling will increasingly focus on physically rich simulations able to model outputs of sky surveys spanning multiple wavebands. These simulations will have unprecedented resolution, volume coverage, and must deliver guaranteed high-fidelity results for individual surveys as well as for the cross-correlations across different surveys. The needed advances are as follows: (1) Development of scientifically rich and broadly-scoped simulations, which capture the relevant physics and correlations between probes (2) Accurate translation of simulation results into realistic image or spectral data to be directly compared with observations (3) Improved emulators and/or data-driven methods serving as surrogates for expensive simulations, constructed from a finite set of full-physics simulations (4) Detailed and transparent verification and validation programs for both simulations and analysis tools. (Abridged)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Inversion of Time-Lapse Seismic Reservoir Monitoring Data Using CycleGAN: A Deep Learning-Based Approach for Estimating Dynamic Reservoir Property Changes

Carbon capture and storage is being pursued globally as a geoengineering measure for reducing the emission of anthropogenic CO 2 the atmosphere. Comprehensive monitoring, verification, and accounting programs must be established for demonstrating the safe storage of injected CO 2 . One of the most commonly deployed monitoring techniques is time-lapse seismic reservoir monitoring (also known as 4-D seismic), which involves comparing 3-D seismic survey data taken at the same study site but over different times. Analyses of 4-D seismic data volumes can help improve the quality of storage reservoir characterization, track the movement of injected CO 2 plume, and identify potential CO 2 spillover/leakage from the storage reservoirblue. However, the derivation of high-resolution CO 2 saturation maps from 4-D seismic data is a highly nonlinear and ill-posed inverse problem, often requiring significant computational effort. In this research, we apply a physics-based deep learning method to facilitate the solution of both the forward and inverse problems in seismic inversion while honoring physical constraints. A cycle generative adversarial neural network (CycleGAN) model is trained to learn the bidirectional functional mappings between the reservoir dynamic property changes and seismic attribute changes, such that both forward and inverse solutions can be obtained efficiently from the trained model. We show that our CycleGAN-based approach not only improves the reliability of 4-D seismic inversion but also expedites the quantitative interpretation. Our deep learning-based workflow is generic and can be readily used for reservoir characterization and reservoir model updates involving the use of 4-D seismic data.

58 GEOSCIENCES↗

Test Site Verification Team: Optimal and Nominal Nuclear-Testing Programs [Slides]

Objectives of the Optimal and Nominal Nuclear-Testing Programs: Define optimal and nominal nuclear-testing programs; Discuss underground development for nuclear operations; Discuss underground nuclear operations, safety, and health; Compare drift complexes of optimal and nominal testing programs; Compare drift complexes for nuclear testing and commercial production; Discuss a potential future look of underground development and operations.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

The Impact of Increased Requirements for Verification Measurements of Category III and IV Receipts

As part of the regular nuclear material accounting and control process, sites that have accountable nuclear material regularly perform measurements of the material in their possession. The expectation for the type of measurements and their frequency is set out in Department of Energy (DOE) Order 474.2, and further detailed in each site’s respective material control and accountability (MC&A) plan and associated controlling documents. The measurements of interest in this report are those performed on external (between DOE sites) transfer receipts of Category III or IV accountable materials. In 2020, a revision of DOE Order 474.2 was proposed that would significantly increase the requirement that measurements be performed upon receipt of material, and further, that those measurements be quantitative verification (rather than qualitative confirmatory) measurements. A survey was performed of DOE sites to discuss the impact on their MC&A measurements program if more rigorous verification measurements requirements for Category III and IV receipts were implemented. An assessment of nondestructive assay (NDA) measurement instruments to meet those needs was also performed. Across the board, sites indicated that personnel and budget would cause the largest impact. Sites which are qualified as Category I/II indicated a reduced impact as these sites already have the measurement capabilities and some personnel but would require the acquisition of additional measurement systems. Category III/IV sites indicated a much larger impact as these sites generally have smaller MC&A programs. A few smaller sites stated a measurement program would need to be created to handle the demand. Calorimetry, quantitative gamma spectroscopy and neutron coincidence counting systems were identified as common systems that could meet the verification measurement requirements. The other, and perhaps larger issue is the need for calibration standards for the calorimetry and neutron coincidence counting systems. It is proposed that a comparative study be performed for ISOCS and ISOTOPICS, qualification of a COTS calorimetry system be performed, and development of an AWCC system that uses a neutron generator.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power densities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

97 MATHEMATICS AND COMPUTING↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power desnities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. The purpose of this work is to verify the power distribution results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Software Verification of VARPOW

The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT, and it was developed to provide interface files for the thermal analysis program DASSH. The basic methodology of VARPOW is to take the neutron and gamma flux (moments) calculated by DIF3D (or GAMSOR) and combine them with the heating (coefficient) cross sections to calculate the spatial power distributions using the DIF3DVARIANT spatial basis. VARPOW can use the output from GAMSOR (both steady state neutron and gamma flux calculations) or standard DIF3D/REBUS calculations (neutron flux only). The correct approach for defining the power distribution is to use GAMSOR as its purpose was to properly compute the gamma heating throughout the modeled domain. The power desnities calculated by VARPOW are broken into fuel, cladding and coolant terms for which isotope-wise categorization is needed. VARPOW has built in options the user can select for the isotope categorization or VARPOW can import a file that details the isotope categorization. VARPOW can export the solution in the polynomial basis of DIF3D-VARIANT or the monomial basis of DIF3D-VARIANT. Recently the clad neutron damage calculation capability was introduced into VARPOW, and it now allows a pathway to get distributions of clad DPA. The purpose of this work is to verify the power distribution, fast neutron flux and clad DPA results calculated by VARPOW from both the GAMSOR and DIF3D input options and verify that the input and output options are consistent with the manual. Hand calculation and independent numerical calculation are used for this verification work.

Zhong, Zhaopeng [Argonne National Laboratory (ANL)↗

Replication Package for "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifier

This replication package is a case study on automated deductive verification for Rust for practical programs. It is a companion artifact to a corresponding usability study on verification titled "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifiers". It seeks to answer the question "Can Rust developers today use Rust verifiers to verify their code?". To answer this question, the study contrasts the verification experience of two mature Rust verifiers, Creusot and Prusti, by using the tools to develop a verified implementation of union-find in Rust. The union-find implementation is based on real-world code as used in the popular egg E-graph library. The artifact consists of two different verified libraries, one using Creusot and one using Prusti. The libraries have similar Rust interfaces and high-level proofs but differ in their details: Creusot and Prusti have different annotation languages and support different proof styles. Each implementation can be verified with its respective tool and compiles as a traditional Rust development.

Sarracino, John↗

Distributed Transient Safety Verification via Robust Control Invariant Sets: A Microgrid Application

Modern safety-critical energy infrastructures are increasingly operated in a hierarchical and modular control framework which allows for limited data exchange between the modules. In this context, it is important for each module to synthesize and communicate constraints on the values of exchanged information in order to assure system-wide safety. To ensure transient safety in inverter-based microgrids, we develop a set invariance-based distributed safety verification algorithm for each inverter module. Applying Nagumo's invariance condition, we construct a robust polynomial optimization problem to jointly search for safety-admissible set of control set-points and design parameters, under allowable disturbances from neighbors. We use sum-of-squares (SOS) programming to solve the verification problem and we perform numerical simulations using grid-forming inverters to illustrate the algorithm.

Bouvier, Jean-Baptiste H.↗

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↗

Verification and Validation of the New MCNP6.3 Criticality Features

The MCNP6® code, version 6.3, has been extensively verified and validated for many applications. The use of the same default capabilities existing in the MCNP6.2 code are also used in the verification and validation (V&V) of the MCNP6.3 code. In this paper, selected new features, code enhancements, and bug fixes in the MCNP6.3 code that impact criticality safety applications are described and investigated. More specifically, the changes within the MCNP6.3 code that are studied in this work include both the new fission matrix and the Doppler broadening resonance correction (DBRC) features. For nuclear criticality safety applications, the V&V benchmark problems within the criticality, extended criticality, and Rossi-α suites are used to study the upgrades within the MCNP6.3 code. Some additional investigations into benchmarks at elevated temperatures are used to showcase the impacts of the temperature-specific capabilities.

97 MATHEMATICS AND COMPUTING↗

SPEL: Software tool for Porting E3SM Land Model with OpenACC in a Function Unit Test Framework

Most high-end computers adopt hybrid architecture, porting a large-scale scientific code onto accelerators is necessary. The paper presents a generic method for porting large-scale scientific code onto accelerators using compiler directives within a modularized function unit test platform. We have implemented the method and designed a software tool (SPEL) to port the E3SM Land Model (ELM) onto the GPUs in the Summit computer. SPEL automatically generates GPU-ready test modules for all ELM functions, such as CanopyFlux, SoilTemperature, and EcosystemDynamics. SPEL breaks the ELM into a collection of standalone unit test programs for easy code verification and further performance improvement. We further optimize several ELM test modules with advanced techniques, including memory reduction, reconstructed parallel loops, and asynchronous GPU kernel launch. We hope our study will inspire new toolkit developments that expedite large-scale scientific code porting with compiler directives.

Schwartz, Peter↗

Complementary Study of Radiative Heat Transfer and Flow Physics from Moderate-scale Hydrocarbon Pool Fire Simulations

As part of the Advanced Simulation and Computing Verification and Validation (ASCVV) program, a 0.3-m diameter hydrocarbon pool fire with multiple fuels was modeled and simulated. In the study described in this report, systematic examination was performed on the radiation model used in a series of coupled Fuego/Nalu simulations. A calibration study was done with a medium-scale methanol pool fire and the effect of calibration traced throughout the radiation model. This analysis provided a more detailed understanding of the effect of radiation model parameters on each other and on other quantities in the simulations. Heptane simulation results were also examined using this approach and possible areas for further improvement of the models were identified. The effect of soot on radiative losses was examined by comparing heptane and methanol results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗