Search NASA⌕ Search

SEARCH · Search NASA

Results for “Integral Benchmarks”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Efficient high-fidelity TRISO statistical failure analysis using Bison: Applications to AGR-2 irradiation testing

The ability of tri-structural isotropic (TRISO) fuel to contain fission products is largely dictated by the quality of the manufacturing process, since most of the fission product release is expected to occur due to coating layer failure in a small number of particles containing defects. The Bison fuel performance code has capabilities to predict failure in individual particles, accounting for the presence of defects, and to apply statistical analysis methods to compute the probability of failure in a set of fuel particles. Bison has recently undergone significant development both to improve its physical representations of fuel particle behavior and to improve the efficiency of its statistical failure calculations. Physical model improvements include new capabilities to account for the pressure generated by fission gases on inner pyrolytic carbon (IPyC) crack surfaces and to use local material coordinate orientation to accurately incorporate the anisotropy in the material properties in aspherical particles. To improve statistical modeling efficiency, a direct integration approach which involves directly integrating the failure probability function associated with statistically varying parameters has been developed. The direct integration approach is much more efficient than the Monte Carlo (MC) schemes commonly employed, and allows Bison to directly run high-dimensional fuel performance models, which improves the accuracy of failure probability calculations. Finally, a set of benchmark problems is considered here to compare the MC and direct integration approaches, and a statistical failure analysis of compacts in the Advanced Gas Reactor (AGR)-2 experiments is performed using the direct integration approach.

36 MATERIALS SCIENCE↗
DOE OSTI2021

NMSBA: Continuous Application Benchmarking & Analysis – CABA

The CABA project is a test of a new tool, Survey,developed by Trenza to be used not only for benchmarking or profiling programs but also to allow incorporation of the information provided by Survey to be utilized in a CI, continuous integration,tool such as GitLab CI.Survey is foremost a means of assessing code performance in terms of time and operations which for computer programmers is known as benchmarking.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Impact of Thermal Scattering Law on Similarity Assessment in Light-Water or Polyethylene-Moderated Systems

A collaborative effort between Pacific Northwest National Laboratory (PNNL) and Oak Ridge National Laboratory (ORNL) is underway to provide a technical basis and methodology for the criticality safety community to use the sum of fractions (SoF) method for generating limits for mixtures of “selected actinide nuclides” included in the ANSI/ANS 8.15 standard. The PNNL scope in this project is to define a range of mixtures of 233 U, 235 U, and 239 Pu moderated with either light water or polyethylene and to examine the critical masses for these mixtures. The ORNL scope is primarily to provide validation support for these studies. More complete discussion of the project and its validation aspects will be presented at the upcoming International Conference on Nuclear Criticality Safety (ICNC) this Fall in Sendai, Japan. Clear differences in benchmark similarity to application systems as assessed by the integral parameter ck are noted in the validation studies performed as part of this project as a function of moderator. The c k value is a correlation coefficient that represents that amount of shared uncertainty in k eff due to cross sections between two systems. Individual nuclide-reaction contributions between the two systems can be simply summed to arrive at the total c k value. Specifically, the c k values for light-water–moderated solution experiments are higher for a water-moderated application than for a polyethylene-moderated application. This result is neither totally unexpected nor surprising, but the magnitude of the difference was difficult to anticipate. The TSUNAMI sequence, in the SCALE 6.2.4 code package developed by ORNL, was used to generate eigenvalues and reactivity effects with perturbation-theory based approach through sensitivity coefficients for all nuclides in the system with all reactions and energy groups. The TSUNAMI-Indices and Parameters (IP) sequence then uses the sensitivity data generated through TSUNAMI to generate relational parameters (i.e., c k ) to determine the degree of similarity between systems. One detail of the SCALE material and data implementation must be discussed at this point. Several thermal scattering laws (TSLs) are available for 1 H. SCALE uses a different nuclide ID number for each TSL; essentially, each version of 1 H is treated as a unique nuclide. For example, 1 H bound in water ( 1 H-H2O) is assigned the nuclide ID 1001, whereas 1 H bound in polyethylene (h-poly) is assigned the nuclide ID 9001001. The same cross section data are used for all reactions in 1 H, regardless of TSL, except for scattering below the TSL cutoff energy. TSUNAMI-IP treats different nuclide IDs as different nuclides; thus, no uncertainty is shared between 1 H-H2O and h-poly, despite much of the same data, including covariance data, being used for both nuclides. This presents a question: how much of the difference in assessed similarity between water- and polyethylene-moderated systems is due to the moderators, and how much is caused by the treatment of 1 H-H2O and h poly with cross section and covariance data. The extended edits generated by TSUANMI-IP allow for an investigation of this issue specifically, as well as a demonstration of the general techniques available within TSUNAMI to understand the results of the similarity assessment. This paper presents and analyzes the similarity assessment of both water- and polyethylene-moderated systems for a single benchmark: PST-002-001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Nuclear data uncertainties by the PWR MOX/UO{sub 2} core rod ejection benchmark

Rod ejection transient of the OECD/NEA and U.S. NRC PWR MOX/UO{sub 2} core benchmark is considered under the influence of nuclear data uncertainties. Using the GRS uncertainty and sensitivity software package XSUSA the propagation of the uncertainties in nuclear data up to the transient calculations are considered. A statistically representative set of transient calculations is analyzed and both integral as well as local output quantities are compared with the benchmark results of different participants. It is shown that the uncertainties in nuclear data play a crucial role in the interpretation of the results of the simulation. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations

We present a new non-perturbative method to calculate the charge carrier mobility using the imaginary time path integral approach, which is based on the Kubo formula for the conductivity, and a saddle point approximation to perform the analytic continuation. The new method is first tested using a benchmark calculation from the numerical exact hierarchical equations of motion method. Imaginary time path integral Monte Carlo simulations are then performed to explore the temperature dependence of charge carrier delocalization and mobility in organic molecular crystals (OMCs) within the Holstein and Holstein-Peierls models. The effects of nonlocal electron-phonon interaction on mobility in different charge transport regimes are also investigated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

sciCAN: single-cell chromatin accessibility and gene expression data integration via cycle-consistent adversarial network

The boom in single-cell technologies has brought a surge of high dimensional data that come from different sources and represent cellular systems from different views. With advances in these single-cell technologies, integrating single-cell data across modalities arises as a new computational challenge. Here, we present an adversarial approach, sciCAN, to integrate single-cell chromatin accessibility and gene expression data in an unsupervised manner. We benchmarked sciCAN with 5 existing methods in 5 scATAC-seq/scRNA-seq datasets, and we demonstrated that our method dealt with data integration with consistent performance across datasets and better balance of mutual transferring between modalities than the other 5 existing methods. We further applied sciCAN to 10X Multiome data and confirmed that the integrated representation preserves biological relationships within the hematopoietic hierarchy. Finally, we investigated CRISPR-perturbed single-cell K562 ATAC-seq and RNA-seq data to identify cells with related responses to different perturbations in these different modalities.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Update on the Benchmark Analysis of the Jupiter Experiments: Plutonium Moderated by Lead

The Jupiter experiment was a series of measurements in the summer of 2017 to analyze the effects of voids in lead moderated plutonium assemblies. This experiment was part of a larger campaign that took place at the National Criticality Experiments Research Center (NCERC) in collaboration with the Japan Atomic Energy Agency (JAEA) that also investigated assemblies with differing uranium enrichments. The purpose for this campaign was to provide data useful for a potential lead-bismuth cooled accelerator driven system. This data is needed due to the low number of benchmarks involving lead. Given the wide use of lead for shielding in addition to new reactor designs, there is a need for further benchmarking that this experiment could help fulfill. In addition, adding more benchmarks to the International Criticality Safety Benchmark Evaluation Project (ICSBEP) is helpful for further validation of simulation methods used for criticality safety. This summary is an update on the current progress of this analysis, and all results shown are preliminary.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

One-sweep moment-based semi-implicit-explicit integration for gray thermal radiation transport

Thermal radiation transport (TRT) is a time dependent, high dimensional partial integro-differential equation. In practical applications such as inertial confinement fusion, TRT is coupled to other physics such as hydrodynamics, plasmas, etc., and the timescales one is interested in capturing are often much slower than the radiation timescale. As a result, TRT is treated implicitly, and due to its stiffness and high dimensionality, is often a dominant computational cost in multiphysics simulations. Here we develop a new approach for implicit-explicit (IMEX) integration of gray TRT in the deterministic SN setting, which requires only one sweep per stage, with the simplest first-order method requiring only one sweep per time step. The partitioning of equations is done via a moment-based high-order low-order formulation of TRT, where the streaming operator and first two moments are used to capture the asymptotic stiff regimes of the streaming limit and diffusion limit. Absorption-reemission is treated explicitly, and although stiff, is sufficiently damped by the implicit solve that we achieve stable accurate time integration without incorporating the coupling of the high order and low order equations implicitly. Due to nonlinear coupling of the high-order and low-order equations through temperature-dependent opacities, to facilitate IMEX partitioning and higher-order methods, we use a semi-implicit integration approach amenable to nonlinear partitions. In conclusion, results are demonstrated on thick Marshak and crooked pipe benchmark problems, demonstrating orders of magnitude improvement in accuracy and wallclock compared with the standard first-order implicit integration typically used.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework

We introduce the first version of GPU4P Y SCF, a module that provides GPU acceleration of methods in P Y SCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets comprising up to g functions using the Rys quadrature. As an illustration of how this can accelerate a quantum chemistry workflow, we describe how to use the ERIs efficiently in the integral-direct Hartree–Fock build and nuclear gradient construction. Benchmark calculations show a significant speedup of 2 orders of magnitude with respect to the multithreaded CPU Hartree–Fock code of P Y SCF and the performance comparable to other open-source GPU-accelerated quantum chemical packages, including GAMESS and QUICK, on a single NVIDIA A100 GPU.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Extending the path for efficient extreme ultraviolet sources for advanced nanolithography

Developing efficient light sources for extreme ultraviolet (EUV) lithography is one of the most important problems of high volume manufacturing (HVM) of the next generation computer chips. Critical components of this technology are continued to face challenges in the demanding performance for HVM. Current investigations of EUV and beyond EUV (BEUV) community are focused on the dual-pulse laser produced plasma (LPP) using droplets of mass-limited targets. Two main objectives as well as challenges in the optimization of these light sources are related to enhancement of the conversion efficiency (CE) of the source and increase components lifetime of the collector optical system. These require significant experimental and computer simulation efforts. These requirements call for fine detail analysis of various plasma physics processes involved in laser target interactions and their effects on source optimization. We continued to enhance our comprehensive HEIGHTS simulation package and upgrade our CMUXE laboratories to study and optimize the efficiency of LPP sources. Integrated modeling and experimental research were done to both benchmark simulation results and to make projections and realistic predictions of the development path for powerful EUVL devices for HVM requirements. We continued the detail analysis of dual-pulse laser systems using various laser wavelengths and delay times between the two pulses. We showed that the efficiency of EUV sources can be improved utilizing the higher harmonics of Nd:YAG laser for the prepulse and the first harmonics for the main pulse, while still having lower efficiency than the combination involving CO{sub 2} laser in the range of parameters studied in this case. The differences in optimization process as well as in the source characteristics for two combinations of laser wavelengths were analyzed based on details of atomic and hydrodynamics processes during the evolving plasma plumes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

GronOR: Massively Parallel and GPU-Accelerated Non-Orthogonal Configuration Interaction for Large Molecular Systems

GronOR is a program package for non-orthogonal configuration interaction calculations for an electronic wave function built in terms of anti-symmetrized products of multi-configuration molecular fragment wave functions. The two-electron integrals that have to be processed may be expressed in terms of atomic orbitals or in terms of an orbital basis determined from the molecular orbitals of the fragments. The code has been specifically designed for execution on distributed memory massively parallel and Graphics Processing Unit (GPU)-accelerated computer architectures, using an MPI+OpenACC/OpenMP programming approach. The task-based execution model used in the implementation allows for linear scaling with the number of nodes on the largest pre-exascale architectures available, provides hardware fault resiliency, and enables effective execution on systems with distinct central processing unit-only and GPU-accelerated partitions. The code interfaces with existing multi-configuration electronic structure codes that provide optimized molecular fragment orbitals, configuration interaction coefficients, and the required integrals. Algorithm and implementation details, parallel and accelerated performance benchmarks, and an analysis of the sensitivity of the accuracy of results and computational performance to thresholds used in the calculations are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The development of a high-resolution Eulerian radiation-hydrodynamics simulation capability for laser-driven Hohlraums

Hohlraums are hollow cylindrical cavities with high-Z material walls used to convert laser energy into uniform x-ray radiation drives for inertial confinement fusion capsule implosions and high energy density physics experiments. Credible computational modeling of hohlraums requires detailed modeling and coupling of laser physics, hydrodynamics, radiation transport, heat transport, and atomic physics. We report on improvements to Los Alamos National Laboratory's xRAGE radiation-hydrodynamics code in order to enable hohlraum modeling. xRAGE's Eulerian hydrodynamics and adaptive mesh refinement make it uniquely well suited to study the impacts of multiscale features in hohlraums. In order to provide confidence in this new modeling capability, we demonstrate xRAGE's ability to produce reasonable agreement with data from several benchmark hohlraum experiments. We also use xRAGE to perform integrated simulations of a recent layered high density carbon capsule implosion on the National Ignition Facility in order to evaluate the potential impacts of the capsule support tent, mixed cell conductivity methodologies, plasma transport, and cross-beam energy transfer (XBT). We find that XBT, seeded by plasma flows in the laser entrance hole (LEH), causes a slight decrease in energy coupling to the capsule and that all of these impact the symmetry of the x-ray drive such that they have an appreciable impact on the capsule implosion shape.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Search for long-lived particles with displaced vertices in multijet events in proton-proton collisions at s = 13 TeV

Results are reported from a search for long-lived particles in proton-proton collisions at √s=13 TeV delivered by the CERN LHC and collected by the CMS experiment. The data sample, which was recorded during 2015 and 2016, corresponds to an integrated luminosity of 38.5 fb -1 . This search uses benchmark signal models in which long-lived particles are pair-produced and each decays into two or more quarks, leading to a signal with multiple jets and two displaced vertices composed of many tracks. No events with two well-separated high-track-multiplicity vertices are observed. Upper limits are placed on models of R-parity violating supersymmetry in which the long-lived particles are neutralinos or gluinos decaying solely into multijet final states or top squarks decaying solely into dijet final states. For neutralino, gluino, or top squark masses between 800 and 2600 GeV and mean proper decay lengths between 1 and 40 mm, the analysis excludes cross sections above 0.3 fb at 95% confidence level. Gluino and top squark masses are excluded below 2200 and 1400 GeV, respectively, for mean proper decay lengths between 0.6 and 80 mm. A method is provided for extending the results to other models with pair-produced long-lived particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

SU-E-T-555: A Protontherapy Inverse Treatment Planning System Prototype with Linear Energy Transfer (LET) Optimization

Purpose: Develop and benchmark an inverse treatment planning system (TPS) for proton radiotherapy integrating fast analytical dose and LET calculations in patient geometries and a dual objective function with both dose and LET components, enabling us to apply optimization techniques to improve the predicted outcome of treatments based on radiobiological models. Methods: The software package was developed in MATLAB and implements a fluence-dose calculation technique based on a pencil beam model for dose calculations and a 3D LET model based on the extension of the LET in the radial direction as a function of the predicted radiological pathway. Both models were benchmarked against commissioning data from our institution, dose calculations performed with a commercial treatment planning system and Monte Carlo simulations. The optimization is based on the adaptive simulated annealing approach . Results: The dose and LET calculations were tested in a water phantom and several real patient treatments. The pass rate for the gamma index analysis (3%/3mm) test was above 90% for all test cases analyzed, and the calculation time was of the order of seconds. The inverse planning module produced plans with a significantly higher mean LET in the target compared to traditional plans, without any loss of target coverage. The clinical relevance of this improvement is under consideration . Conclusion: The developed treatment planning system is a valuable clinical and research tool that enables us to incorporate LET effects into proton radiotherapy planning in a streamlined fashion.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2018

Prospects for discovery and spin discrimination of dark matter in Higgs portal DM models and their extensions at 100 TeV $pp$ collider

We study the discovery and discriminating prospects of the Higgs portal dark matter (DM) models for scalar, fermion and vector DM and their extensions in proton–proton (pp) collisions. The $t\bar{t}$+DM associated production in dileptonic final states is considered, in which the stransverse mass of two leptons is found to be effective in suppressing the Standard Model backgrounds along with the missing transverse energy and the angle between two leptons. The distributions of missing transverse energy and polar angle between two leptons are used for a discrimination of the spin nature of DM. For the proposed benchmark points, the discovery/exclusion can be made with an integrated luminosity less than 1 ab -1 given a 1% systematic uncertainty, while the spin discrimination require integrated luminosity of a few O(10) ab -1 given a 0.5% systematic uncertainty. The DM phenomenology is also discussed. A consistent DM candidate can be obtained either by extending our model where the Higgs portal couples to excited dark states that decay into DM, or modifying the coupling form into pseudoscalar.

100 TeV pp collider↗
DOE OSTI2025

Real-Twin

Real-Twin is a unified, model-agnostic scenario generation tool designed to streamline and standardize the evaluation of emerging mobility technologies. It provides an end-to-end framework that includes robust workflows, integrated tools, and comprehensive metrics to generate, calibrate, and benchmark microscopic traffic simulation scenarios across multiple platforms. Key Features of Real-Twin include: - Unified Scenario Generation: generate transferable, simulation-ready scenarios from heterogeneous data sources using a consistent workflow. - Automated Calibration Workflow: bridges simulation and real-world data, minimizing manual effort and making traffic simulation more accessible to researchers and engineers. - Model-Agnostic Compatibility: supports SUMO, VISSIM, and AIMSUN for cross-platform scenario generation and benchmarking. Enables reliable comparisons and reproducibility across different simulation tools. - Consistent Scenarios across Different Simulators: generate comparable simulation scenarios across different microscopic traffic simulators, providing users the ability to conduct benchmarking and cross-validation that are crucial for ensuring the reliability and reproducibility of simulation results. - Emerging Technology Support: includes a scenario database and pipeline for studying autonomous vehicles (AVs), with planned extensions to CAVs, EVs, and other advanced technologies.

Wang, Chieh (Ross) [Oak Ridge National Laboratory ↗
DOE OSTI2025

Artificial Intelligence–Enabled Digital Twin for U.S. Cities

Over 50 participants—including national laboratory researchers, academic scholars, industry representatives, and stakeholders from the City of Chicago—convened in person and online to assess the readiness and potential of an Artificial Intelligence–Enabled Digital Twin (AIDT) for urban systems, with the Greater Chicago area serving as the benchmark location. The workshop underscored that the Chicago Urban Integrated Field Laboratory provides an unparalleled testbed for developing and validating urban DTs—combining dense, multiscale observations, advanced physics-based and AI modeling capabilities, and strong stakeholder and industry engagement. Discussions highlighted available datasets, AI architectures for high resolution, multipurpose urban DTs, key applications, and near- and long-term priorities for scaling this framework within Chicago and to other U.S. and global cities.

AIDT↗
DOE OSTI2020

Gaussian Process Optimization of Sensitivity-Based Similarity Metrics between New Nuclear Applications and New/Existing Benchmarks

Confidently designing safe, new nuclear criticality experiments requires expert judgement, which could take years of experience. Sensitivity/uncertainty (S/U) analysis can be utilized by less experienced individuals to conservatively estimate uncertainties in important parameters, such as k eff , in newly proposed nuclear applications. This type of analysis relies on matching new nuclear applications with existing benchmark experiments. The Whisper-1.1 software package included in MCNP6.2 ®1 contains more than 1,100 International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmarks. These benchmarks however rarely match new nuclear applications. The number of benchmarks available to match a given set of materials or geometric configurations varies significantly. Furthermore, recently performed benchmark experiments may not have had enough time to be properly documented and published. Benchmarks are vital for determining the accuracy of nuclear data and can assist nuclear physics and evaluators in improving nuclear data libraries. Exhaustively exploring the parameter space using simulations with software such as MCNP is too computationally expensive. In this work, Gaussian process optimization was implemented to reduce the number of simulations needed for optimization over multiple parameters. This optimization scheme was designed to selectively generate new benchmarks with high sensitivity-based similarity metrics to user-defined nuclear applications. Two benchmark models of spherically nested shells containing plutonium, uranium, tantalum, and water were used in the optimization to match an application containing plutonium plates, stacked in a tantalum reflector, surrounded by water.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗