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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Stability analysis of the Eulerian–Lagrangian finite volume methods for nonlinear hyperbolic equations in one space dimension

In this paper, we construct a novel Eulerian–Lagrangian finite volume (ELFV) method for nonlinear scalar hyperbolic equations in one space dimension. It is well known that the exact solutions to such problems may contain shocks though the initial conditions are smooth, and direct numerical methods may suffer from restricted time step sizes. To relieve the restriction, we propose an ELFV method, where the space-time domain was separated by the partition lines originated from the cell interfaces whose slopes are obtained following the Rakine–Hugoniot junmp condition. Unfortunately, to avoid the intersection of the partition lines, the time step sizes are still limited. To fix this gap, we detect effective troubled cells (ETCs) and carefully design the influence region of each ETC, within which the partitioned space-time regions are merged together to form a new one. Then with the new partition of the space-time domain, we theoretically prove that the proposed first-order scheme with Euler forward time discretization is total-variation-diminishing and maximum-principle-preserving with at least twice larger time step constraints than the classical first order Eulerian method for Burgers’ equation. Numerical experiments verify the optimality of the designed time step sizes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Pentiptycene-based ladder polymers with configurational free volume for enhanced gas separation performance and physical aging resistance

Significance Gas separation membranes are an emerging energy-efficient alternative toward conventional, energy-intensive separation technologies such as cryogenic distillation. Ladder polymers with intrinsic microporosity show exceptional promise toward redefining state-of-the-art gas separation membranes due to their high permeability (throughput) and selectivity (separation efficiency). However, they are typically inhibited by major reductions in permeability over time due to collapsing membrane free volume (open space between polymer chains), forfeiting their greatest asset. This work explores a route toward enhanced aging resistance and overall separation performance by incorporating pentiptycene (an H-shaped scaffold containing five fused arene rings) into ladder-like polymers to incorporate natural, more permanent “micropores” that aren’t susceptible to densification of polymer chains that occurs over time in traditional microporous polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Indications of flat bands driving the δ to α volume collapse of plutonium

On cooling from the melt, plutonium (Pu) undergoes a series of structural transformations accompanied by a ≈ 28% reduction in volume from its δ phase to its α phase at low temperatures. While Pu’s partially filled 5 f -electron shells are known to be involved, their precise role in the transformations has remained unclear. By using calorimetry measurements on α -Pu and gallium-stabilized δ -Pu combined with resonant ultrasound and X-ray scattering data to account for the anomalously large softening of the lattice with temperature, we show here that the difference in electronic entropy between the α and δ phases dominates over the difference in phonon entropy. Rather than finding an electronic specific heat characteristic of broad f -electron bands in α -Pu, as might be expected to occur within a Kondo collapsed phase in analogy with cerium, we find it to be indicative of flatter subbands. An important role played by Pu’s 5 f electrons in the formation of its larger unit cell α phase comprising inequivalent lattice sites and varying bond lengths is therefore suggested.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

PIPS-2025: an updated practical pressure scale for the large-volume presses

In 1997, AIRAPT recommended a set of room-temperature pressure reference points (PRPs) for the large-volume press (LVP) community, known as the Practical International Pressure Scale (PIPS-97). With recent AIRAPT-recommended ruby scale Ruby2020 for diamond-anvil cell (DAC) experiments, it is now necessary to re-examine PIPS-97 for consistency with the DAC pressure scale. Here, we reconstruct equations of state (EOSs) for NaCl and Au that are explicitly tied to Ruby2020 and recalculate the PRPs using these EOSs. The revised PRP values are given. GaAs is removed from the PRP list because of the complexity of its phase transitions. The ZnS value, although retained, requires further investigation. Overall, the revised pressures are systematically higher than PIPS-97 by up to 4% at 35 GPa. We propose that this updated set of PRPs, referred to as PIPS-2025, be adopted for LVP experiments to improve pressure consistency between the LVP and DAC communities.

Large volume press↗
DOE OSTI2023

Scalable Volume Visualization for Big Scientific Data Modeled by Functional Approximation

Considering the challenges posed by the space and time complexities in handling extensive scientific volumetric data, various data representations have been developed for the analysis of large-scale scientific data. Multivariate functional approximation (MFA) is an innovative data model designed to tackle substantial challenges in scientific data analysis. It computes values and derivatives with high-order accuracy throughout the spatial domain, mitigating artifacts associated with zero- or first-order interpolation. However, the slow query time through MFA makes it less suitable for interactively visualizing a large MFA model. In this work, we develop the first scalable interactive volume visualization pipeline, MFA-DVV, for the MFA model encoded from large-scale datasets. Our method achieves low input latency through distributed architecture, and its performance can be further enhanced by utilizing a compressed MFA model while still maintaining a high-quality rendering result for scientific datasets. We conduct comprehensive experiments to show that MFA-DVV can decrease the input latency and achieve superior visualization results for big scientific data compared with existing approaches.

big scientific dataset↗
DOE OSTI2021

A Butterfly-Accelerated Volume Integral Equation Solver for Broad Permittivity and Large-Scale Electromagnetic Analysis

In this work, a butterfly-accelerated volume integral equation (VIE) solver is proposed for fast and accurate electromagnetic (EM) analysis of scattering from heterogeneous objects. The proposed solver leverages the hierarchical off-diagonal butterfly (HOD-BF) scheme to construct the system matrix and obtain its approximate inverse, used as a preconditioner. Complexity analysis and numerical experiments validate the O(N log 2 N) construction cost of the HOD-BF-compressed system matrix and O(N log 1.5 N) inversion cost for the preconditioner, where N is the number of unknowns in the high-frequency EM scattering problem. For many practical scenarios, the proposed VIE solver requires less memory and computational time to construct the system matrix and obtain its approximate inverse compared to a H matrix-accelerated VIE solver. The accuracy and efficiency of the proposed solver have been demonstrated via its application to the EM analysis of large-scale canonical and real-world structures comprising of broad permittivity values and involving millions of unknowns.

42 ENGINEERING↗
DOE OSTI2020

Multidimensional Tests of a Finite-Volume Solver for MHD With a Real-Gas Equation of State

This work considers two algorithms of a finite-volume solver for the MHD equations with a real-gas equation of state (EOS). Both algorithms use a multistate form of Harten-Lax-Van Leer approximate Riemann solver as formulated for MHD discontinuities. This solver is modified to use the generalized sound speed from the real-gas EOS. Two methods are tested: EOS evaluation at cell centers and at flux interfaces where the former is more computationally efficient. A battery of 1D and 2D tests are employed: convergence of 1D and 2D linearized waves, shock tube Riemann problems, a 2D nonlinear circularly polarized Alfvén wave, and a 2D magneto-Rayleigh-Taylor instability test. The cell-centered EOS evaluation algorithm produces unresolvable thermodynamic inconsistencies in the intermediate states leading to spurious solutions while the flux-interface EOS evaluation algorithm robustly produces the correct solution. The linearized wave tests show this inconsistency is associated with the magnetosonic waves and the magneto-Rayleigh-Taylor instability test demonstrates simulation findings where the spurious solution leads to an unphysical simulation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

A Fourth-Order Embedded Boundary Finite Volume Method for the Unsteady Stokes Equations with Complex Geometries

A fourth-order finite volume embedded boundary (EB) method is presented for the unsteady Stokes equations. The algorithm represents complex geometries on a Cartesian grid using EB, employing a technique to mitigate the ``small cut-cell"" problem without mesh modifications, cell merging, or state redistribution. Spatial discretizations are based on a weighted least-squares technique that has been extended to fourth-order operators and boundary conditions, including an approximate projection to enforce the divergence-free constraint. Solutions are advanced in time using a fourth-order additive implicit-explicit Runge-Kutta method, with the viscous and source terms treated implicitly and explicitly, respectively. Formal accuracy of the method is demonstrated with several grid convergence studies, and results are shown for an application with a complex bio-inspired material. In conclusion, the developed method achieves fourth-order accuracy and is stable despite the pervasive small cells arising from complex geometries.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

FY20 Quarter Four Volume Disposal Report

The one-page summary report shows Nevada National Security Site (NNSS) waste disposal volume for the fourth quarter, FY20.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Indications of flat bands driving the δ to α volume collapse of plutonium

On cooling from the melt, plutonium (Pu) undergoes a series of structural transformations accompanied by a ≈ 28% reduction in volume from its δ phase to its α phase at low temperatures. While Pu’s partially filled 5f -electron shells are known to be involved, their precise role in the transformations has remained unclear. By using calorimetry measurements on α-Pu and gallium-stabilized δ-Pu combined with resonant ultrasound and X-ray scattering data to account for the anomalously large softening of the lattice with temperature, we show here that the difference in electronic entropy between the α and δ phases dominates over the difference in phonon entropy. Rather than finding an electronic specific heat characteristic of broad $f$-electron bands in α-Pu, as might be expected to occur within a Kondo collapsed phase in analogy with cerium, we find it to be indicative of flatter subbands. An important role played by Pu’s 5$f$ electrons in the formation of its larger unit cell α phase comprising inequivalent lattice sites and varying bond lengths is therefore suggested.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Performance Simulation and Analysis of Occupancy-Based Control for Office Buildings with Variable-Air-Volume Systems

Variable-air-volume (VAV) systems are used in many office buildings. The minimum airflow rate setting of VAV terminal boxes has a significant impact on both energy consumption and indoor air quality. Conventional controls usually have the terminal’s minimum airflow rate at a constant (e.g., 30% or more of the terminal design airflow rate), irrespective of the occupancy status, which may cause problems, such as excessive simultaneous heating and cooling, under ventilation, and thermal comfort issues. This paper examines the potential of energy savings from occupancy-based controls (OBCs). The sensed occupancy information, either occupant presence or people count, is used to determine the airflow rate of terminal boxes, the thermostat setpoints, and the lighting control. Using EnergyPlus, a whole-building energy modeling software, the energy savings of OBC strategies are evaluated for representative existing medium office buildings in the U.S. The simulation results show that the conventional OBC, based on occupant presence sensing, can save 8% of whole-building energy use in Miami (hot climate) for systems without air-side economizer and about 13% in both Baltimore (mixed climate) and Chicago (cold climate). Comparatively, the advanced OBC, based on people counting, can save 8% in Miami to 23% in Baltimore for systems with economizers. The outdoor-air fraction of the supply air from air-handling units significantly affects the potential energy savings from the advanced OBC strategy. In addition to energy savings, the advanced OBC satisfies the zone ventilation during all occupied hours over the whole year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Review of Selected Advances in Electrical Capacitance Volume Tomography for Multiphase Flow Monitoring

Electrical Capacitance Volume Tomography (ECVT) has emerged as an attractive technology for addressing instrumentation requirements in various energy-related multiphase flow systems. ECVT can monitor multiple flow conditions and reconstruct real-time 3D images from capacitance measurements using a large set of electrode plates placed around the processes column enclosing the sensed flow system. ECVT is non-intrusive and allows the measurement of changes in mutual capacitance between all possible plate pair combinations. The objective of this paper is to provide a comprehensive review of recent advances in ECVT, enabling robust monitoring of multiphase flows, especially water-containing multiphase flows.

02 PETROLEUM↗
DOE OSTI2021

Coupling Finite Element and Finite Volume Simulation Within MOOSE

This work focuses on adding capability to couple finite element (FE) variables into finite volume (FV) physics within INL’s Multiphysics Object-Oriented Simulation Environment (MOOSE). This coupling can allow for improvement of multiphysics simulations where one set of physics is best suited for an FE discretization, while another set is best suited for an FV discretization. Electrohydrodynamics, which govern liquid metal reactor concepts and plasma dynamics, is a fitting example where the electromagnetic field equations are solved with FE and the fluid flow is solved with FV. The new FE to FV coupling method can be summarized as taking the element or face average of the FE variable value or gradient and applying that quantity directly in the FV equation objects.

97 MATHEMATICS AND COMPUTING↗