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At least 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Flux trapping in NbTiN strips

We use scanning superconducting quantum interference device (SQUID) microscopy to image vortices in superconducting structures fabricated from NbTiN thin films. We repeatedly cool superconducting strips with different width in an applied magnetic field and image the individual vortices. From these images we determine the threshold field at which the first vortex enters a strip and the number and configuration of vortices beyond this threshold field. We model the behavior of the vortices with and without considering the effect of pinning using numerical methods to minimize the Gibbs free energy of vortices in the strips. Our measurements provide a first benchmark to investigate the flux trapping properties of NbTiN thin films directly relevant to NbTiN-based superconducting digital circuits.

Bai, Ruiheng [Cornell University] (ORCID:000000025↗
DOE OSTI2022

Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r 2 SCAN + rVV 10

SCAN+rVV10 has been demonstrated to be a versatile van der Waals (vdW) density functional that delivers good predictions of both energetic and structural properties for many types of bonding. Recently, the r 2 SCAN functional was devised as a revised form of SCAN with improved numerical stability. In this work, we refit the rVV10 functional to optimize the r 2 SCAN+rVV10 vdW density functional and test its performance for molecular interactions and layered materials. Our molecular tests demonstrate that r 2 SCAN+rVV10 outperforms its predecessor SCAN+rVV10 in both efficiency (numerical stability) and accuracy. This good performance is also found in lattice-constant predictions. In comparison with benchmark results from higher-level theories or experiments, r 2 SCAN+rVV10 yields excellent interlayer binding energies and phonon dispersions for layered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Energy-momentum-conserving stochastic differential equations and algorithms for the nonlinear Landau-Fokker-Planck equation

Coulomb collision is a fundamental diffusion process in plasmas that can be described by the Landau-Fokker-Planck (LFP) equation or the stochastic differential equation (SDE). While energy and momentum are conserved exactly in the LFP equation, they are conserved only on average by the conventional corresponding SDEs, suggesting that the underlying stochastic process may not be well defined by such SDEs. Here, in this study, we derive new SDEs with exact energy-momentum conservation for the Coulomb collision by factorizing the collective effect of field particles into individual particles and enforcing Newton's third law. These SDEs, when interpreted in the Stratonovich sense, have a particularly simple form that represents pure diffusion between particles without drag. To demonstrate that the new SDEs correspond to the LFP equation, we develop numerical algorithms that converge to the SDEs and preserve discrete conservation laws. Simulation results are presented in a benchmark of various relaxation processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

West Village Community: Quality Management Processes and Preliminary Heat Pump Water Heater Performance

West Village, a multiuse project underway at the University of California Davis, represents a groundbreaking sustainable community that incorporates energy efficiency measures and on-site renewable generation to achieve community-level goals of ultra high efficiency. The project, when complete, will provide housing for students, faculty, and staff, and maintain a vision to minimize the community’s environmental impact by reducing building energy use, providing on-site renewable energy generation, and encouraging alternative forms of transportation. The focus of this research concerns the 192 student apartments completed in 2011 under Phase I of the West Village multi-year project. The developer implemented numerous aggressive energy efficiency measures that are estimated to achieve 37% source energy savings over the Building America Benchmark. There are two primary objectives of this research. The first is to evaluate performance and efficiency of central heat pump water heaters for domestic water heating in ultra-efficient buildings. The second is to evaluate the effectiveness of quality assurance and quality control processes in ensuring proper system startup and operation and documenting compliance with efficiency programs. This research additionally recommends measures to promote successful implementation of quality processes in large-scale, high performance communities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1994

The Determination of Forces and Moments on a Gimballed SRM Nozzle Using a Cold Flow Model

The Solid Rocket Motor Air Flow Facility (SAF) at NASA Marshall Space Flight Center was used to characterize the flow in the critical aft end and nozzle of a solid propellant rocket motor (SRM) as part of the design phase of development. The SAF is a high pressure, blowdown facility which supplies a controlled flow of air to a subscale model of the internal port and nozzle of a SRM to enable measurement and evaluation of the flow field and surface pressure distributions. The ASRM Aft Section/Nozzle Model is an 8 percent scale model of the 19 second burn time aft port geometry and nozzle of the Advanced Solid Rocket Motor, the now canceled new generation space Shuttle Booster. It has the capability to simulate fixed nozzle gimbal angles of 0, 4, and 8 degrees. The model was tested at full scale motor Reynolds Numbers with extensive surface pressure instrumentation to enable detailed mapping of the surface pressure distributions over the nozzle interior surface, the exterior surface of the nozzle nose and the surface of the simulated propellant grain in the aft motor port. A mathematical analysis and associated numerical procedure were developed to integrate the measured surface pressure distributions to determine the lateral and axial forces on the moveable section of the nozzle, the effective model thrust and the effective aerodynamic thrust vector (as opposed to the geometric nozzle gimbal angle). The nozzle lateral and axial aerodynamic loads and moments about the pivot point are required for design purposes and require complex, three dimensional flow analyses. The alignment of the thrust vector with the nozzle geometric centerline is also a design requirement requiring three dimensional analyses which were supported by this experimental program. The model was tested with all three gimbal angles at three pressure levels to determine Reynolds number effects and reproducibility. This program was successful in demonstrating that a measured surface pressure distribution could be integrated to determine the lateral and axial loads, moments and thrust vector alignment for the scaled model of a large space booster nozzle. Numerical results were provided which are scaleable to the full scale rocket motor and can be used as benchmark data for 3-D CFD analyses.

Whitesides, R. Harold↗
DOE OSTI2015

The German product quality control of the compacted metallic nuclear waste - 15311

The treatment and safe disposal of spent nuclear fuel is a key challenge of nuclear energy utilization and has to be accomplished regardless the future nuclear of electricity production or phase-out policies. Until June 2005 approx. 6662 tons of spent fuel from German nuclear power plants was sent to the La Hague (France) and Sellafield (UK) plants for reprocessing. An equivalent amount of nuclear waste compounds has contractually to be returned to Germany, which is currently in progress. The returnable waste streams comprise mainly highly-active vitrified waste containing a major part of fission products and actinides, and intermediate-active super-compacted metallic waste containing reprocessed fuel element's structural materials and some technological waste from the reprocessing process itself. Shearing and dissolution of spent fuel leaves scraps of fuel metal cladding, the end-pieces and spacers which are contaminated, activated and irradiating from their life in a reactor core. In fact, this metallic intermediate level radioactive waste makes up a bit more than half of the total volume of the reprocessed waste. At La Hague the metallic waste is super-compacted. Several, typically eight, compacted discs are stacked in a stainless steel container, named CSD-C as for 'Colis Standard de Dechets Compactes'. 4104 containers of such CSD-Cs in 152 transport/storages casks have to be returned to Germany. Each one of them has to be checked and quality certified for its conformity with German national product specifications and acceptance criteria by independent national product quality control inspectors (PKS). The residue package documentation has to be complete and the characterization methods have to be comprehensive. Due to the heterogeneity of metallic waste the characterization and control of its properties is very complex. The nuclear characterization is performed by means of non-destructive measurements, where only a few key nuclides are measured directly. In fact, the proper calculation of the whole nuclear inventory relies on numerous supplementary simulations. The measurement and calculation methodology is scrutinized by PKS in detail and key points are benchmarked with our own simulations for the sake of an independent nuclear inventory declaration check. With respect to the vast amount of documentation and parameters, which have to be checked and verified, PKS had to optimize their checking procedures. For this purpose dedicated proof tools have been developed that shall be applied for selected indicative cross-checks of the relevant parameters. This contribution is dedicated to the procedure of quality control by PKS and examples of actually performed computational verifications of declared nuclear inventory. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Equation of State for Technetium Metal up to 153 GPa

The transition metal, technetium, is a major fission product with a fission yield greater the 6 % for {sup 235}U and as such is found in large quantities in nuclear waste. However, few studies have investigated the behavior of technetium under extreme conditions. Previously, three studies have reported bulk moduli values for technetium metal determined by experimental methods: ultrasonic techniques at ambient pressure, estimated from elastic constants determined from experimental phonon dispersion curves and by high pressure X-ray diffraction. Numerous estimates have been made from computational methods - . The bulk moduli of transition metals is used as a benchmark for validating computation methods. With so little experimental data on technetium, it cannot serve as a useful benchmark. In our previous study the equation of state was measured up to 67 GPa using a 4:1 mixture of methanol-ethanol as the pressure transmitting medium. The non-hydrostatic data produced there resulted in an equation of state defined by B{sub 0} = 288 GPa, and B' = 5.9. Reported here is the high pressure X-ray diffraction measurements made on technetium metal up to a maximum pressure of 153 GPa (1.53 Mbar) and the resulting equation of state. (authors)

36 MATERIALS SCIENCE↗
NASA NTRS1991

Development of a CFD Code for Analysis of Fluid Dynamic Forces in Seals

The aim is to develop a 3-D computational fluid dynamics (CFD) code for the analysis of fluid flow in cylindrical seals and evaluation of the dynamic forces on the seals. This code is expected to serve as a scientific tool for detailed flow analysis as well as a check for the accuracy of the 2D industrial codes. The features necessary in the CFD code are outlined. The initial focus was to develop or modify and implement new techniques and physical models. These include collocated grid formulation, rotating coordinate frames and moving grid formulation. Other advanced numerical techniques include higher order spatial and temporal differencing and an efficient linear equation solver. These techniques were implemented in a 2D flow solver for initial testing. Several benchmark test cases were computed using the 2D code, and the results of these were compared to analytical solutions or experimental data to check the accuracy. Tests presented here include planar wedge flow, flow due to an enclosed rotor, and flow in a 2D seal with a whirling rotor. Comparisons between numerical and experimental results for an annular seal and a 7-cavity labyrinth seal are also included.

Athavale, Mahesh M.↗
DOE OSTI2011

A TWO-DIMENSIONAL METHOD OF MANUFACTURED SOLUTIONS BENCHMARK SUITE BASED ON VARIATIONS OF LARSEN'S BENCHMARK WITH ESCALATING ORDER OF SMOOTHNESS OF THE EXACT SOLUTION

The quantification of the discretization error associated with the spatial discretization of the Discrete Ordinate(DO) equations in multidimensional Cartesian geometries is the central problem in error estimation of spatial discretization schemes for transport theory as well as computer code verification. Traditionally fine mesh solutions are employed as reference, because analytical solutions only exist in the absence of scattering. This approach, however, is inadequate when the discretization error associated with the reference solution is not small compared to the discretization error associated with the mesh under scrutiny. Typically this situation occurs if the mesh of interest is only a couple of refinement levels away from the reference solution or if the order of accuracy of the numerical method (and hence the reference as well) is lower than expected. In this work we present a Method of Manufactured Solutions (MMS) benchmark suite with variable order of smoothness of the underlying exact solution for two-dimensional Cartesian geometries which provides analytical solutions aver- aged over arbitrary orthogonal meshes for scattering and non-scattering media. It should be emphasized that the developed MMS benchmark suite first eliminates the aforementioned limitation of fine mesh reference solutions since it secures knowledge of the underlying true solution and second that it allows for an arbitrary order of smoothness of the underlying ex- act solution. The latter is of importance because even for smooth parameters and boundary conditions the DO equations can feature exact solution with limited smoothness. Moreover, the degree of smoothness is crucial for both the order of accuracy and the magnitude of the discretization error for any spatial discretization scheme.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2013

Numerical solution of the time dependent neutron transport equation by the method of the characteristics

This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Opportunities for enhancing MLCommons efforts while leveraging insights from educational MLCommons earthquake benchmarks efforts

MLCommons is an effort to develop and improve the artificial intelligence (AI) ecosystem through benchmarks, public data sets, and research. It consists of members from start-ups, leading companies, academics, and non-profits from around the world. The goal is to make machine learning better for everyone. In order to increase participation by others, educational institutions provide valuable opportunities for engagement. In this article, we identify numerous insights obtained from different viewpoints as part of efforts to utilize high-performance computing (HPC) big data systems in existing education while developing and conducting science benchmarks for earthquake prediction. As this activity was conducted across multiple educational efforts, we project if and how it is possible to make such efforts available on a wider scale. This includes the integration of sophisticated benchmarks into courses and research activities at universities, exposing the students and researchers to topics that are otherwise typically not sufficiently covered in current course curricula as we witnessed from our practical experience across multiple organizations. As such, we have outlined the many lessons we learned throughout these efforts, culminating in the need for benchmark carpentry for scientists using advanced computational resources. The article also presents the analysis of an earthquake prediction code benchmark while focusing on the accuracy of the results and not only on the runtime; notedly, this benchmark was created as a result of our lessons learned. Energy traces were produced throughout these benchmarks, which are vital to analyzing the power expenditure within HPC environments. Additionally, one of the insights is that in the short time of the project with limited student availability, the activity was only possible by utilizing a benchmark runtime pipeline while developing and using software to generate jobs from the permutation of hyperparameters automatically. It integrates a templated job management framework for executing tasks and experiments based on hyperparameters while leveraging hybrid compute resources available at different institutions. The software is part of a collection called cloudmesh with its newly developed components, cloudmesh-ee (experiment executor) and cloudmesh-cc (compute coordinator).

58 GEOSCIENCES↗
DOE OSTI2026

Evaluation of Sandia NCS Benchmark Suite Updates

The Sandia Nuclear Criticality Safety (NCS) program’s benchmark suite was recently updated. This suite is used to ensure that NCS calculations using computer-based neutron transportation codes have an established baseline comparison of calculated versus known experimental results. The Evaluated Nuclear Data File (ENDF) version used for the MCNP models in the suite was changed from ENDF/B-VII.1 to ENDF/B-VIII.0. Additionally, relevant thermal scattering law data libraries (TSLs) were updated. The sensitivity of the calculational bias of each benchmark model to these changes is discussed. Implementation of the ENDF/B-VIII.0 library and updated TSLs results in improvements to bias distribution in the intermediate enriched uranium, plutonium, and mixed uranium–plutonium (IEU, PU, and MIX) fissionable material benchmark categories, but a small bias increase in low- and high-enriched uranium categories (LEU and HEU, respectively). The results also highlight the sensitivity of the benchmarks, with average lethargy of neutrons causing fission energies (EALF) in the intermediate energy range to ENDF/B library changes. The most numerous bias changes were observed in the thermal energy region when transitioning from ENDF/B-VII.1 to ENDF/B-VIII.0. In conclusion, most of the unique bias changes observed in MCNP 6.3.0 between the two nuclear data libraries were in the LEU-COMP-THERM evaluation subset.

ICSBEP↗
DOE OSTI2015

New LHC benchmarks for the $\mathcal{CP}$-conserving two-Higgs-doublet model

We introduce a strategy to study the parameter space of the general, CP-conserving, two-Higgs-doublet Model (2HDM) with a softly broken $\mathbb Z_{2}$-symmetry by means of a new “hybrid” basis. In this basis the input parameters are the measured values of the mass of the observed Standard Model (SM)-like Higgs boson and its coupling strength to vector boson pairs, the mass of the second CP-even Higgs boson, the ratio of neutral Higgs vacuum expectation values, and three additional dimensionless parameters. Here, using the hybrid basis, we present numerical scans of the 2HDM parameter space where we survey available parameter regions and analyze model constraints. From these results, we define a number of benchmark scenarios that capture different aspects of non-standard Higgs phenomenology that are of interest for future LHC Higgs searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1993

Development of deterministic transport methods for low energy neutrons for shielding in space

Transport of low energy neutrons associated with the galactic cosmic ray cascade is analyzed in this dissertation. A benchmark quality analytical algorithm is demonstrated for use with BRYNTRN, a computer program written by the High Energy Physics Division of NASA Langley Research Center, which is used to design and analyze shielding against the radiation created by the cascade. BRYNTRN uses numerical methods to solve the integral transport equations for baryons with the straight-ahead approximation, and numerical and empirical methods to generate the interaction probabilities. The straight-ahead approximation is adequate for charged particles, but not for neutrons. As NASA Langley improves BRYNTRN to include low energy neutrons, a benchmark quality solution is needed for comparison. The neutron transport algorithm demonstrated in this dissertation uses the closed-form Green's function solution to the galactic cosmic ray cascade transport equations to generate a source of neutrons. A basis function expansion for finite heterogeneous and semi-infinite homogeneous slabs with multiple energy groups and isotropic scattering is used to generate neutron fluxes resulting from the cascade. This method, called the FN method, is used to solve the neutral particle linear Boltzmann transport equation. As a demonstration of the algorithm coded in the programs MGSLAB and MGSEMI, neutron and ion fluxes are shown for a beam of fluorine ions at 1000 MeV per nucleon incident on semi-infinite and finite aluminum slabs. Also, to demonstrate that the shielding effectiveness against the radiation from the galactic cosmic ray cascade is not directly proportional to shield thickness, a graph of transmitted total neutron scalar flux versus slab thickness is shown. A simple model based on the nuclear liquid drop assumption is used to generate cross sections for the galactic cosmic ray cascade. The ENDF/B V database is used to generate the total and scattering cross sections for neutrons in aluminum. As an external verification, the results from MGSLAB and MGSEMI were compared to ANISN/PC, a routinely used neutron transport code, showing excellent agreement. In an application to an aluminum shield, the FN method seems to generate reasonable results.

Ganapol, Barry↗
DOE OSTI2025

Thermomechanics coupling to Monte Carlo particle transport on unstructured mesh geometries using Cardinal

Geometry deformation due to thermal expansion influences neutron transport in many systems. Studying this phenomenon involves coupling models for neutronics, thermal hydraulics, and solid mechanics. To enable high fidelity modeling of these coupled physics, new capabilities were introduced in Cardinal, coupling OpenMC Monte Carlo particle transport models with MOOSE thermomechanical physics on unstructured moving-mesh geometries. In this work, we present a fully open-source capability leveraging on-the-fly mesh skinning to automatically regenerate OpenMC geometry, which allows multiphysics feedback from temperature, density, and geometry changes. The new capability is verified using an analytic benchmark slab problem, which couples S 2 neutron transport with thermal conduction, convective boundary conditions, Doppler-broadened cross sections, and nonlinear thermal expansion effects along the heated slab. Cardinal reproduces the analytic solutions for the neutron flux, heating, k eff , and temperature with demonstrated convergence in various error terms including mesh resolution and cross section temperature library spacing. For the nominal benchmark conditions and with a fine mesh, maximum relative errors for neutron flux, temperature, and heating are lower than 1%, while errors in integral quantities such as k eff and slab length are within 1 pcm and 48 µm, respectively. This work (i) presents a new numerical approach to thermomechanics coupling with OpenMC models, (ii) is the first (to our knowledge) to utilize a mechanical partial differential equation (PDE) solution to solve the (Griesheimer and Kooreman, 2022) analytic benchmark, and (iii) develops this verified capability within an open-source package.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Absorbing boundary conditions in material point method adopting perfectly matched layer theory

This study focuses on solving the numerical challenges of imposing absorbing boundary conditions for dynamic simulations in the material point method (MPM). To attenuate elastic waves leaving the computational domain, the current work integrates the Perfectly Matched Layer (PML) theory into the implicit MPM framework. The proposed approach introduces absorbing particles surrounding the computational domain that efficiently absorb outgoing waves and reduce reflections, allowing for accurate modeling of wave propagation and its further impact on geotechnical slope stability analysis. The study also includes several benchmark tests to validate the effectiveness of the proposed method, such as several types of impulse loading and symmetric and asymmetric base shaking. The conducted numerical tests also demonstrate the ability to handle large deformation problems, including the failure of elasto-plastic soils under gravity and dynamic excitations. The findings extend the capability of MPM in simulating continuous analysis of earthquake-induced landslides, from shaking to failure.

58 GEOSCIENCES↗
DOE OSTI2017

Pencil Beam Algorithms Are Unsuitable for Proton Dose Calculations in Lung

Purpose: To compare analytic and Monte Carlo–based algorithms for proton dose calculations in the lung, benchmarked against anthropomorphic lung phantom measurements. Methods and Materials: A heterogeneous anthropomorphic moving lung phantom has been irradiated at numerous proton therapy centers. At 5 centers the treatment plan could be calculated with both an analytic and Monte Carlo algorithm. The doses calculated in the treatment plans were compared with the doses delivered to the phantoms, which were measured using thermoluminescent dosimeters and film. Point doses were compared, as were planar doses using a gamma analysis. Results: The analytic algorithms overestimated the dose to the center of the target by an average of 7.2%, whereas the Monte Carlo algorithms were within 1.6% of the physical measurements on average. In some regions of the target volume, the analytic algorithm calculations differed from the measurement by up to 31% in the internal gross target volume (iGTV) (46% in the planning target volume), over-predicting the dose. All comparisons showed a region of at least 15% dose discrepancy within the iGTV between the analytic calculation and the measured dose. The Monte Carlo algorithm recalculations showed dramatically improved agreement with the measured doses, showing mean agreement within 4% for all cases and a maximum difference of 12% within the iGTV. Conclusions: Analytic algorithms often do a poor job predicting proton dose in lung tumors, over-predicting the dose to the target by up to 46%, and should not be used unless extensive validation counters the consistent results of the present study. Monte Carlo algorithms showed dramatically improved agreement with physical measurements and should be implemented to better reflect actual delivered dose distributions.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

An enhanced artificial neural network with a shuffled complex evolutionary global optimization with principal component analysis

The classical Back-Propagation (BP) scheme with gradient-based optimization in training Artificial Neural Networks (ANNs) suffers from many drawbacks, such as the premature convergence, and the tendency of being trapped in local optimums. Therefore, as an alternative for the BP and gradient-based optimization schemes, various Evolutionary Algorithms (EAs), i.e., Particle Swarm Optimization (PSO), Genetic Algorithm (GA), Simulated Annealing (SA), and Differential Evolution (DE), have gained popularity in the field of ANN weight training. This study applied a new efficient and effective Shuffled Complex Evolutionary Global Optimization Algorithm with Principal Component Analysis – University of California Irvine (SP-UCI) to the weight training process of a three-layer feed-forward ANN. A large-scale numerical comparison is conducted among the SP-UCI-, PSO-, GA-, SA-, and DE-based ANNs on 17 benchmark, complex, and real-world datasets. Here the results show that SP-UCI-based ANN outperforms other EA-based ANNs in the context of convergence and generalization. Results suggest that the SP-UCI algorithm possesses good potential in support of the weight training of ANN in real-word problems. In addition, the suitability of different kinds of EAs on training ANN is discussed. The large-scale comparison experiments conducted in this paper are fundamental references for selecting proper ANN weight training algorithms in practice.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗