Search NASA⌕ Search

SEARCH · Search NASA

Results for “COMP”

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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Sensitivity/Uncertainty Comparison Study Involving IRSN, LANL, and ORNL Tools to Support Validation

Under a DOE Nuclear Criticality Safety Program (NCSP) task involving Analytical Methods, three Laboratories collaborated in a comparison of results obtained from Sensitivity/Uncertainty (S/U) packages relevant to validation of transport codes. The task involves Institut de Radioprotection et de Sûreté Nucléaire (IRSN), Los Alamos National Laboratory (LANL), and Oak Ridge National Laboratory (ORNL) comparing results of MORET 5/MACSENS V3.0, MCNP6.2/Whisper-1.1, and SCALE 6.2.3/TSUNAMI/USLSTATS respectively. All Monte Carlo transport code results utilize nuclear data from ENDF/B-VII.1 evaluation. This study examines five cases from the International Handbook of Evaluated Criticality Safety Benchmark Experiments (ICSBEP Handbook) selected as application models: IEU-MET- FAST-002-001, LEU-COMP-THERM-001-001, LEU-SOL-THERM-004-001, MIX-COMP- THERM-001-001, and U233-SOL-THERM-001-001. This is a continuation of a previous study to examine Pu and HEU cases: HEU-MET-FAST-013-001, HEU-SOL-THERM-001-008, PU-MET- FAST-022-001, and PU-SOL-THERM-001-001. Ultimately, comparison is made between Upper Subcritical Limits (USLs) obtained using each code package for each application case. Since differences exist in whether packages take into account margin of subcriticality (MOS), the USL is computed using only bias and bias uncertainty, also known as the calculational margin (CM) in ANSI/ANS-8.24. Results comparison appears to show that benchmark selection has a greater influence on the USL than the method used for calculation of bias and bias uncertainty.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Completion of Critical Experiments with Molybdenum Sleeves at Sandia

Sandia National Laboratories (SNL) and the Institut de Radioprotection et de Sûreté Nucléaire (IRSN) have collaborated on the design and execution of a set of critical experiments that explore the effects of molybdenum in water moderated fuel-rod arrays. The molybdenum is included as sleeves (tubes) on some of the fuel rods in the arrays. The fuel used in the experiments is known at Sandia as the Seven Percent Critical Experiment (7uPCX) fuel. This fuel has been used is several published benchmark evaluations in including LEU-COMP-THERM-78 and LEU-COMP THERM-080.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Global molecular changes in a tibial compression induced ACL rupture model of post-traumatic osteoarthritis

Joint injury causes post-traumatic osteoarthritis (PTOA). About ~ 50% of patients rupturing their anterior cruciate ligament (ACL) will develop PTOA within 1–2 decades of the injury, yet the mechanisms responsible for the development of PTOA after joint injury are not well understood. In this study, we examined whole joint gene expression by RNA sequencing (RNAseq) at 1 day, 1-, 6-, and 12 weeks post injury, in a non-invasive tibial compression (TC) overload mouse model of PTOA that mimics ACL rupture in humans. We identified 1446 genes differentially regulated between injured and contralateral joints. This includes known regulators of osteoarthritis such as MMP3, FN1, and COMP, and several new genes including Suco, Sorcs2, and Medag. We also identified 18 long noncoding RNAs that are differentially expressed in the injured joints. By comparing our data to gene expression data generated using the surgical destabilization of the medial meniscus (DMM) PTOA model, we identified several common genes and shared mechanisms. Our study highlights several differences between these two models and suggests that the TC model may be a more rapidly progressing model of PTOA. This study provides the first account of gene expression changes associated with PTOA development and progression in a TC model.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Model of non-stationary, inhomogeneous turbulence

Here, we compare results from a spectral model for non-stationary, inhomogeneous turbulence (Besnard et al. in Theor Comp Fluid Dyn 8:1–35, 1996) with direct numerical simulation (DNS) data of a shear-free mixing layer (SFML) (Tordella et al. in Phys Rev E 77:016309, 2008). The SFML is used as a test case in which the efficacy of the model closure for the physical-space transport of the fluid velocity field can be tested in a flow with inhomogeneity, without the additional complexity of mean-flow coupling. The model is able to capture certain features of the SFML quite well for intermediate to long times, including the evolution of the mixing-layer width and turbulent kinetic energy. At short-times, and for more sensitive statistics such as the generation of the velocity field anisotropy, the model is less accurate. We propose two possible causes for the discrepancies. The first is the local approximation to the pressure-transport and the second is the a priori spherical averaging used to reduce the dimensionality of the solution space of the model, from wavevector to wavenumber space. DNS data are then used to gauge the relative importance of both possible deficiencies in the model.

42 ENGINEERING↗
DOE OSTI2018

Magnetic Transition and Magnetocaloric Effect of Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} (x = 0.3 and 0.4) Compounds

Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} compounds with x = 0.3 and 0.4 were prepared by arc melting and crystallized in the ThCr{sub 2}Si{sub 2}-type structure with the space group I4/mmm based on X-ray powder diffraction (XRD) results. Magnetic transition and magnetocaloric effect (MCE) of the Gd{sub 1−x}Nd{sub x}Mn{sub 2}Ge{sub 2} compounds were investigated by magnetic measurements on a physical property measurement system (PPMS). Gd{sub 0.7}Nd{sub 0.3}Mn{sub 2}Ge{sub 2} compound exhibits complicated magnetic transitions at around 63 K (T{sub comp}), 86 K (T{sub 1}), 136 K (T{sub C}), 260 K (T{sub N}{sup inter}), and 347 K (T{sub C}{sup inter}), respectively, while Gd{sub 0.6}Nd{sub 0.4}Mn{sub 2}Ge{sub 2} compound shows a spin re-orientation transition at about 52 K. Combined with isothermal magnetization curves and the Maxwell relation, the maximum magnetic entropy changes of Gd{sub 0.7}Nd{sub 0.3}Mn{sub 2}Ge{sub 2} and Gd{sub 0.6}Nd{sub 0.4}Mn{sub 2}Ge{sub 2} were calculated to be 4.31 and 5.15 J kg{sup − 1} K{sup − 1} under the applied magnetic field changing from 0 to 5 T, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Rapid particle generation from an STL file and related issues in the application of material point methods to complex objects

Abstract In this paper, we focus on three issues related to applications of material point methods (MPMs) to objects with complex geometries. They are material point generation, compatibility of material points with a mesh, and sensitivity to mesh orientation. An efficient method of generating material points from a stereolithography (STL) file is introduced. This material point generation method is independent of the mesh used in MPM calculations. The compatibility between the material points and the mesh is then studied. We also show that the original MPM and the dual domain material point (DDMP) method are sensitive to mesh orientation. These issues are related to the calculation of the internal force and are concerns of the MPMs. They become more prominent when MPMs are applied to complex geometries. Our numerical results show that the recently developed local stress difference (LSD) algorithm (Perez et al. in J Comp Phys 498:112681, 2024) can be used to effectively address them.

36 MATERIALS SCIENCE↗
DOE OSTI2013

The analytic solution for the power series expansion of Heun function

The Heun function generalizes all well-known special functions such as Spheroidal Wave, Lame, Mathieu, and hypergeometric {sub 2}F{sub 1}, {sub 1}F{sub 1} and {sub 0}F{sub 1} functions. Heun functions are applicable to diverse areas such as theory of black holes, lattice systems in statistical mechanics, solution of the Schrödinger equation of quantum mechanics, and addition of three quantum spins. In this paper I will apply three term recurrence formula (Y.S. Choun, (arXiv:1303.0806), 2013) to the power series expansion in closed forms of Heun function (infinite series and polynomial) including all higher terms of A{sub n}’s. Section 3 contains my analysis on applying the power series expansions of Heun function to a recent paper (R.S. Maier, Math. Comp. 33 (2007) 811–843). Due to space restriction final equations for the 192 Heun functions are not included in the paper, but feel free to contact me for the final solutions. Section 4 contains two additional examples using the power series expansions of Heun function. This paper is 3rd out of 10 in series “Special functions and three term recurrence formula (3TRF)”. See Section 5 for all the papers in the series. The previous paper in series deals with three term recurrence formula (3TRF). The next paper in the series describes the integral forms of Heun function and its asymptotic behaviors analytically. -- Highlights: •Power series expansion for infinite series of Heun function using 3 term rec. form. •Power series for polynomial which makes B{sub n} term terminated of Heun function. •Applicable to areas such as the Teukolsky equation in Kerr–Newman–de Sitter geometries.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Orb5: A global electromagnetic gyrokinetic code using the PIC approach in toroidal geometry

This paper presents the current state of the global gyrokinetic code Orb5 as an update of the previous reference [Jolliet et al., Comp. Phys. Commun. 177 409 (2007)]. The Orb5 code solves the electromagnetic VlasovMaxwell system of equations using a PIC scheme and also includes collisions and strong flows. The code assumes multiple gyrokinetic ion species at all wavelengths for the polarization density and drift-kinetic electrons. Variants of the physical model can be selected for electrons such as assuming an adiabatic response or a “hybrid” model in which passing electrons are assumed adiabatic and trapped electrons are drift-kinetic. A Fourier filter as well as various control variates and noise reduction techniques enable simulations with good signal-to-noise ratios at a limited numerical cost. They are completed with different momentum and zonal flow-conserving heat sources allowing for temperature-gradient and flux-driven simulations. The code, which runs on both CPUs and GPUs, is well benchmarked against other similar codes and analytical predictions, and shows good scalability up to thousands of nodes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

MFC 5.0: An exascale many-physics flow solver

Many problems of interest in engineering, medicine, and the fundamental sciences rely on high-fidelity flow simulation, making performant computational fluid dynamics solvers a mainstay of the open-source software community. Previous work MFC 3.0 was made a published, documented, and open-source solver via Bryngelson et al. Comp. Phys. Comm. (2021) with numerous physical features, numerical methods, and scalable infrastructure. MFC 5.0 is a significant update to MFC 3.0, featuring a broad set of well-established and novel physical models and numerical methods, as well as the introduction of GPU and APU (or superchip) acceleration. Here, we exhibit state-of-the-art performance and ideal scaling on the first two exascale supercomputers, OLCF Frontier and LLNL El Capitan. Combined with MFC’s single-accelerator performance, MFC achieves exascale computation in practice, and achieved the largest-to-date public CFD simulation at 200 trillion grid points as a 2025 ACM Gordon Bell Prize finalist. New physical features include the immersed boundary method, N-fluid phase change, Euler–Euler and Euler–Lagrange sub-grid bubble models, fluid-structure interaction, hypo- and hyper-elastic materials, chemically reacting flow, two-material surface tension, magnetohydrodynamics (MHD), and more. Numerical techniques now represent the current state-of-the-art, including general relaxation characteristic boundary conditions, WENO variants, Strang splitting for stiff sub-grid flow features, and low Mach number treatments. Weak scaling to tens of thousands of GPUs on OLCF Summit and Frontier and LLNL El Capitan achieves efficiencies within 5% of ideal to over 90% of their respective system sizes. Strong scaling results for a 16-times increase in device count show parallel efficiencies over 90% on OLCF Frontier. MFC’s software stack has undergone further improvements, including continuous integration, which ensures code resilience and correctness through over 300 regression tests; metaprogramming, which reduces code length while maintaining performance portability; and code generation for computing chemical reactions

Computational fluid dynamics↗
DOE OSTI2015

A new variation of the Buckingham exponential-6 potential with a tunable, singularity-free short-range repulsion and an adjustable long-range attraction

We introduce new generalized (reverting to the original) and extended (not reverting to the original) 4-parameter forms of the (B-2) Potential Energy Function (PEF) of Wang etal. (L.-P. Wang, J. Chen and T. van Voorhis, J. Chem. Theor. Comp. 9, 452 (2013)), which is itself a modification of the Buckingham exponential-6 PEF. The new forms have a tunable, singularity-free short-range repulsion and an adjustable long-range attraction. They produce fits to high quality ab initio data for the X–(H2O), X=F, Cl, Br, I and M+(H2O), M=Li, Na, K, Rb, Cs dimers that are between 1 and 2 orders of magnitude better than the original 3-parameter (B-2) and modified Buckingham exponential-6 PEFs. They are also slightly better than the 4-parameter generalized Buckingham exponential-6(gBe-6) and of comparable quality with the 4-parameter extended Morse (eM) PEFs introduced recently by us.

Werhahn, Jasper C.↗
DOE OSTI2014

Simulating Geologic Co-sequestration of Carbon Dioxide and Hydrogen Sulfide in a Basalt Formation

Co-sequestered CO2 with H2S impurities could affect geologic storage, causing changes in pH and oxidation state that affect mineral dissolution and precipitation reactions and the mobility of metals present in the reservoir rocks. We have developed a variable component, non-isothermal simulator, STOMP-COMP (Water, Multiple Components, Salt and Energy), which simulates multiphase flow gas mixtures in deep saline reservoirs, and the resulting reactions with reservoir minerals. We use this simulator to model the co-injection of CO2 and H2S into brecciated basalt flow top. A 1000 metric ton injection of these supercritical fluids, with 99% CO2 and 1% H2S, is sequestered rapidly by solubility and mineral trapping. CO2 is trapped mainly as calcite within a few decades and H2S is trapped as pyrite within several years.

basalt↗
DOE OSTI2015

Coupling extended magnetohydrodynamic fluid codes with radiofrequency ray tracing codes for fusion modeling

Neoclassical tearing modes are macroscopic ($L$ ~ 1 m) instabilities in magnetic fusion experiments; if unchecked, these modes degrade plasma performance and may catastrophically destroy plasma confinement by inducing a disruption. Fortunately, the use of properly tuned and directed radiofrequency waves ($λ$ ~ 1 mm) can eliminate these modes. Numerical modeling of this difficult multiscale problem requires the integration of separate mathematical models for each length and time scale [T. G. Jenkins, S. E. Kruger, Phys. Plasmas 19 (2012) 122508]; the extended MHD model captures macroscopic plasma evolution while the RF model tracks the flow and deposition of injected RF power through the evolving plasma profiles. The scale separation enables use of the eikonal (ray-tracing) approximation to model the RF wave propagation. In this work we demonstrate a technique, based on methods of computational geometry, for mapping the ensuing RF data (associated with discrete ray trajectories) onto the finite-element/pseudospectral grid that is used to model the extended MHD physics. In the new representation, the RF data can then be used to construct source terms in the equations of the extended MHD model, enabling quantitative modeling of RF-induced tearing mode stabilization. Though our specific implementation uses the NIMROD extended MHD [C. R. Sovinec et al., J. Comp. Phys. 195 (2004) 355] and GENRAY RF [A. P. Smirnov, R. W. Harvey, K. Kupfer, Bull. Amer. Phys. Soc. 39 (1994) 1626] codes, the approach presented can be applied more generally to any code coupling requiring the mapping of ray tracing data onto Eulerian grids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

An improved consistent, conservative, non-oscillatory and high order finite difference scheme for variable density low Mach number turbulent flow simulation

A consistent, conservative and truly high order finite difference scheme for low Mach number turbulent variable density flow simulation is presented. In the present scheme, the scalar transport equation is discretized with the explicit weighted compact nonlinear scheme (WCNS) while the continuity and momentum equations are discretized with a conservative centered high order finite difference scheme on a staggered grid. Bounded hybrid high order upwind interpolation is proposed for the evaluation of density on the cell faces of the staggered grid. The use of explicit WCNS along with the bounded density interpolation resolves the issue of degraded order of accuracy in the existing high order finite difference schemes where the centered finite difference scheme for mass and momentum conservation is combined with a total variation stable scheme for scalar transport. With the same difference operator used for the continuity and scalar transport equations, the present scheme is consistent naturally, and resolves the inconsistency problem reported in Trisjono et al. (J. Comp. Phys., 327, 612-628, 2016) without employing any modification to a scheme. Such improvements are demonstrated for several test cases.

02 PETROLEUM↗
DOE OSTI2020

A corrected method for Coulomb scattering in arbitrarily weighted particle-in-cell plasma simulations

A physically and statistically accurate method to perform binary, pairwise Coulomb collisions for arbitrarily-weighted macroparticles in particle-in-cell simulations is described. The method is shown to conserve global energy and momentum on average and to produce physically accurate scattering frequencies. This is justified using the statistically expected values of the method and through a series of numerical tests showing that the method is valid independently of macroparticle weight. This novel method is required due to an error in previous work on binary scattering, initially by Nanbu and Yonemura [J. Comp. Phys. 145, 639 (1998)] and applied to subsequent work, that causes inaccuracies in the scattering frequencies for unequally weighted simulations; a problem that occurs both for scattering within the group and between different groups.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Diamagnetic drift effects on the low-n magnetohydrodynamic modes at the high mode pedestal with plasma rotation

The diamagnetic drift effects on the low-n magnetohydrodynamic instabilities at the high-mode (H-mode) pedestal are investigated in this paper with the inclusion of bootstrap current for equilibrium and rotation effects for stability, where n is the toroidal mode number. The AEGIS (Adaptive EiGenfunction Independent Solutions) code [L. J. Zheng and M. T. Kotschenreuther, J. Comp. Phys. 211 (2006)] is extended to include the diamagnetic drift effects. This can be viewed as the lowest order approximation of the finite Larmor radius effects in consideration of the pressure gradient steepness at the pedestal. The H-mode discharges at Jointed European Torus is reconstructed numerically using the VMEC code [P. Hirshman and J. C. Whitson, Phys. Fluids 26, 3553 (1983)], with bootstrap current taken into account. Generally speaking, the diamagnetic drift effects are stabilizing. Our results show that the effectiveness of diamagnetic stabilization depends sensitively on the safe factor value (q{sub s}) at the safety-factor reversal or plateau region. The diamagnetic stabilization are weaker, when q{sub s} is larger than an integer; while stronger, when q{sub s} is smaller or less larger than an integer. We also find that the diamagnetic drift effects also depend sensitively on the rotation direction. The diamagnetic stabilization in the co-rotation case is stronger than in the counter rotation case with respect to the ion diamagnetic drift direction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Carboxylic acid-grafted mesoporous material and its high catalytic activity in one-pot three-component coupling reaction

A new carboxylic acid functionalized mesoporous organic polymer has been synthesized via in situ radical polymerization of divinylbenzene and acrylic acid using a mesoporous silica as a seed during the polymerization process under solvothermal conditions. The mesoporous material MPDVAA-1 has been thoroughly characterized employing powder XRD, solid state {sup 13}C cross polarization magic angle spinning-nuclear magnetic resonance, FT-IR spectroscopy, N{sub 2} sorption, HR-TEM, and NH{sub 3} temperature programmed desorption-thermal conductivity detector (TPD-TCD) analysis to understand its porosity, chemical environment, bonding, and surface properties. The mesoporous polymer was used as a catalyst for a three comp onent Biginelli condensation between various aldehydes, β-keto esters, and urea/thioureas to give 3,4-dihydropyrimidine-2(1H)-ones. The reactions were carried out under conventional heating as well as solvent-free microwave irradiation of solid components, and in both the cases, the mesoporous polymer MPDVAA-1 proved to be a powerful, robust, and reusable catalyst with high catalytic efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High-speed GPU-based finite element simulations for NDT

The finite element method solved with explicit time increments is a general approach which can be applied to many ultrasound problems. It is widely used as a powerful tool within NDE for developing and testing inspection techniques, and can also be used in inversion processes. However, the solution technique is computationally intensive, requiring many calculations to be performed for each simulation, so traditionally speed has been an issue. For maximum speed, an implementation of the method, called Pogo [Huthwaite, J. Comp. Phys. 2014, doi: 10.1016/j.jcp.2013.10.017], has been developed to run on graphics cards, exploiting the highly parallelisable nature of the algorithm. Pogo typically demonstrates speed improvements of 60-90x over commercial CPU alternatives. Pogo is applied to three NDE examples, where the speed improvements are important: guided wave tomography, where a full 3D simulation must be run for each source transducer and every different defect size; scattering from rough cracks, where many simulations need to be run to build up a statistical model of the behaviour; and ultrasound propagation within coarse-grained materials where the mesh must be highly refined and many different cases run.

36 MATERIALS SCIENCE↗