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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The MOOSE fluid properties module

The Fluid Properties module within the Multiphysics Object-Oriented Simulation Environment (MOOSE) is used to compute fluid properties for numerous applications, ranging from nuclear reactor thermal hydraulics to geothermal energy. Those applications drove the development of the module to enable numerous different fluid equations of states, property lookups with primitive and conserved flow variable to cater to pressure and density-driven solvers, and an object-oriented design facilitating expansion and maintenance. Each fluid property is implemented in its own class but inherits capabilities such as automatic differentiation, automated out-of-bounds handling or variable conversion capabilities. Here, this paper presents the module, its design, its user and developer interface, its content in terms of fluids and properties, and several of its applications showing its major role in the MOOSE simulation ecosystem.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Implementation of High Temperature and Pressure fluid property interpolation tables

This document describes the use of module property_interpolate by John Doherty (Doherty,2006). The document “Fast Lookup of CO 2 Properties” describes the numerical details associated with lookup table. Rajeh Pawar modified property_interpolate for easier implementation in the FEHM code. George Zyvoloski modified the package to produce tables for water and air at very high temperatures and pressures. He also modified the auxiliary codes(drivers) to use newer datasets from the National Institute of Standards and Technology. We note here that within the files associated with FEHM there three property_interpolate modules. They are interpolate_2a.f90 (water), interpolate_2b.f90 (air) , and interpolate_2c.f90(CO 2 ). The interpolate_2c module is different than the earlier module produced by Rajeh Pawar in that it includes high temperature and pressure data. While FEHM has a number of fluid physics modules, this document will describe only the software and algorithms associated with water, water vapor, and heat (WH).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

RASPA3

RASPA3, a molecular simulation code for computing adsorption and diffusion in nanoporous materials and thermodynamic and transport properties of fluids. It implements force field based classical Monte Carlo/molecular dynamics in various ensembles. RASPA3 is rewritten from the ground up in C++23 with speed and code readability in mind. Transition-matrix Monte Carlo is added to compute the density of states and free energies. The Monte Carlo code for rigid molecules is based on quaternions, and the atomic positions needed in the energy evaluation are recreated from the center of mass position and quaternion orientation. The expanded ensemble methodology for fractional molecules, with a scaling parameter λ between 0 and 1, now also keeps track of analytic expressions of dU/dλ, allowing independent verification of the chemical potential using thermodynamic integration. The source code is freely available under the MIT license on GitHub.

Dubbeldam, David↗
DOE OSTI2026

SCP (Secondary Coolant Props) [SWR-26-025]

SCP (Secondary Coolant Props) contains fluid property routines for secondary coolants. It is based on the correlations developed by Åke Melinder, 2010 "Properties of Secondary Working Fluids for Indirect Systems" 2nd ed., International Institute of Refrigeration. This is intended to be a lightweight library that can be easily imported into any other Python tool, with no bulky dependencies.

Mitchell, Matt [National Laboratory of the Rockies↗
DOE OSTI2024

EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials

Phase interactions and fluid properties in geological and other environments are critical in applications ranging from hydrogen production and geologic storage and recovery, carbon dioxide storage and sequestration, and the sustainable use of water resources. The four goals of EFRC-MUSE: Multi-Scale Fluid-Solid Interactions in Architected and Natural Materials were based on the priority directions articulated in the Basic Research Needs documents, and the scientific needs in nanoscience. 1. Develop a fundamental understanding of confinement and surface interactions in mesoscale media with nanometer-sized pores on the phase behavior, thermodynamic and multiphase flow properties of multicomponent fluid mixtures. 2. Examine the impact of mineralogy and material heterogeneity on mechanical properties to better understand chemo-mechanical interactions in material failure. 3. Determine in-operando cross-scale structural and nanostructural material properties with fluids in confinement and flow under realistic condi

58 GEOSCIENCES↗
DOE OSTI2026

Effects of confinement and pressure on the structure and dynamics of carbon dioxide in silica slit pores

An understanding of carbon dioxide fluid properties within geological mesopores is important in applications ranging from carbon sequestration to shale oil recovery. Here, a molecular dynamics study is presented that aims to shed light on these systems by simulation of CO 2 fluid confined in β-cristobalite silica slit pores with different pore widths and pressure conditions. The weakly associating nature of carbon dioxide leads to little difference in structural and interfacial dynamical properties for different pore sizes and pressures. Rather, the behavior is found to be dominated by the entropic effects, namely, how the CO 2 organizes next to the silica surface. The CO 2 self-diffusion coefficient shows the strongest pore size dependence. It is strongly diminished in small pores and does not reach the bulk fluid value even in 6 nm pores. It also decreases with pressure, yielding an activation volume that increases with pore size. These results provide new insight into the behavior of a compressible fluid in nanoscale confinement.

Godahewa, Sahan M. [Univ. of Kansas, Lawrence, KS ↗
DOE OSTI2026

A Space-Time Fluid (Unabridged)

Purpose: This essay is a retelling of general relativity in a language in which space-time geometry is expressed as a fluid. This trivial and useful reformulation gives 1) a non-perturbative covariant description of cosmological inhomogeneities and 2) a simple formula describing how cosmic inhomogeneities are generated on super-horizon scales. Methods: Equating the Ricci curvature with the associated matter stress-energy gives a description of space-time geometry in terms of fluid properties. These locally measurable (covariant) non-perturbative quantities are in some ways superior to commonly used "gauge invariant" quantities. The dynamics of a quantity (kurvature) which describes cosmological inhomogeneities is described in detail. A detailed comparison is made of space-time fluid dynamics with that of a classical (Newtonian physics) fluid. Results: The fluid lexicon permits an unambiguous definition of the velocity of space-time. The evolution of the space-time fluid is in many ways identical with that of the classical fluid when expressed in Lagrangian coordinates. Kurvature is a measure of the specific binding energy of the fluid and is a most useful covariant measure of cosmological inhomogeneities. For plausible matter models kurvature will increase, even on super-horizon scales, due to non-linear hydrodynamic effects rather than gravity. This phenomena is also exhibited by classical fluids. Conclusion: The space-time fluid representation of geometrodynamics gives a simple and useful description of the evolution of cosmological inhomogeneities.

Stebbins, Albert [Fermilab] (ORCID:000000023807725↗
DOE OSTI2025

Utilization of Existing Pipelines in Hydrogen Transport: Literature Review Report

This report critically reviews the flow behavior of hydrogen-natural gas (H 2 -NG) mixtures in pipelines and examines the critical factors of hydrogen integration into existing natural gas infrastructure. It addresses the choking behavior characterized by velocity increase and pressure drop, as well as the effects of flow restrictions and pressure losses during hydrogen transport. Computational and analytical models are used to investigate these effects, and their effects on thermodynamic properties and system performance are evaluated. The study also reviews the energy efficiency and flow dynamics of hydrogen and methane-hydrogen mixtures and optimizes the hydrogen flow rate. In addition, the effects of these mixtures on the flow characteristics are discussed in detail, with special emphasis on the compressibility factor (z factor) and fluid properties based on equations of state for hydrogen-natural gas mixtures. The study also analyzes the mixture ratios and highlights the thermophysical properties, flow dynamics, and hydrogen-blended natural gas application potential. These investigations assess flow stability, material interactions, and operational feasibility of transporting hydrogen mixtures through natural gas pipelines, which contribute to developing sustainable and efficient energy systems.

08 HYDROGEN↗
DOE OSTI2024

Planck Dust Polarization Power Spectra Are Consistent with Strongly Supersonic Turbulence

Abstract The polarization of the cosmic microwave background is rich in information but obscured by foreground emission from the Milky Way’s interstellar medium (ISM). To uncover relationships between the underlying turbulent ISM and the foreground power spectra, we simulated a suite of driven, magnetized, turbulent models of the ISM, varying the fluid properties via the sonic Mach number, M S , and magnetic (Alfvén) Mach number, M A . We measure the power spectra of density ( ρ ), velocity ( v ), magnetic field ( H ), total projected intensity ( T ), parity-even polarization ( E ), and parity-odd polarization ( B ). We find that the slopes of all six quantities increase with M S . Most increase with M A , while the magnetic field spectrum steepens with M A . By comparing spectral slopes of E and B to those measured by Planck, we infer typical values of M S and M A for the ISM. As the fluid velocity increases, M S > 4 , the ratio of BB power to EE power increases to approach a constant value near the Planck-observed value of ∼0.5, regardless of the magnetic field strength. We also examine correlation coefficients between projected quantities, and find that r TE ≈ 0.3, in agreement with Planck, for appropriate combinations of M S and M A . Finally, we consider parity-violating correlations r TB and r EB .

Astronomy & Astrophysics↗
DOE OSTI2025

Experimental investigation of unsteady flow dynamics in therminol-66 using edge tone-induced oscillations

Recent research has demonstrated that flow oscillations induced by a wedge positioned opposite the jet outlet in edge tones can be effectively utilized for flow measurement purposes. This highlights the necessity for developing advanced instrumentation capable of precise flow measurements in experimental setups exposed to radiation and in challenging fluids such as molten salts. Here, this study contributes to the existing body of knowledge by conducting experiments using Therminol-66, an effective surrogate for FLiBe under appropriate temperature conditions for nuclear applications, across a broad range of Reynolds numbers from 17,700 to 555,000. Experiments were conducted with Therminol-66 at approximately 368.8 K under atmospheric pressure, with varying flow rates. A reliable correlation was established between the generated frequencies, corresponding flow rates, and device geometry parameters. The data were subjected to non-dimensional analysis to reveal the interrelationships among flow rate, fluid properties, device geometry, and their impact on the acoustic tones produced by the edge tone device. These findings contribute to the development of precise flow measurement instrumentation for use in challenging environments.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗
DOE OSTI2024

Low Melting Temperature Gallium–Indium Liquid Metal Anode for Solid-State Li-Ion Batteries

Solid-state Li-ion batteries are attracting attention for their enhanced safety features, higher energy density, and broader operational temperature range compared to systems based on liquid electrolytes. However, current solid-state Li-ion batteries face performance challenges, such as suboptimal cycling and poor rate capabilities, often due to inadequate interfacial contact between the solid electrolyte and electrodes. To address this issue, we incorporated a gallium–indium (Ga–In) liquid metal as the anode in a solid-state Li-ion battery setup, employing Li 6 PS 5 Cl as the solid electrolyte. Operating at room temperature, this configuration achieved an initial capacity of 389 mAh g –1 and maintained 88% of this capacity after 30 cycles at a 0.05 C rate. It also demonstrated a capacity retention of 66% after 500 cycles at a 0.5 C rate. In comparison to solid anode materials, such as tin, the Ga–In liquid metal exhibited superior cycling stability and rate capacity, which is due to the self-healing and fluid properties of the alloy that ensure stable interfacial contact with solid electrolytes. In situ X-ray diffraction (XRD) and ex situ scanning electron microscope (SEM) analyses revealed that indium does not directly participate in the lithiation/delithiation process. Instead, it helps maintain the alloy’s low melting point, facilitating its return to a liquid state after delithiation. In a comparative analysis of stack pressure during cycling in cells utilizing Ga–In liquid metal and tin, the Ga–In liquid metal cell demonstrated an ability to buffer pressure increases associated with deformation. In conclusion, these findings suggest a promising approach for enhancing solid-state batteries by integrating liquid metal anodes, which improve interfacial contact and stability.

Alloys↗
DOE OSTI2025

Reservoir Dynamics in Proposed Operational Scenarios Where CO 2 -EOR Fields are Transitioned From CO 2 -Flood Enhanced Oil Recovery to Dedicated Carbon Storage: A Field Case Study

This study models the transition of CO 2 -enhanced oil recovery (CO 2 -EOR) fields to dedicated carbon storage using a generalized reservoir model informed by real field data, SACROC. Through scenario-based simulations, the work evaluates how reservoir depletion levels, boundary conditions, fluid properties, and domain size affect pressure buildup, CO 2 plume migration, and long-term containment performance. The results inform practices for repurposing oil fields into reliable CO 2 storage sites.

02 PETROLEUM↗
DOE OSTI2025

Characterization of Inlet Guide Vane Performance for Discharge Compressor Operation near the Dome of an sCO 2 Pumped Heat Energy Storage

Southwest Research Institute® (SwRI®) developed and tested a Variable Inlet Guide Vane (IGV herein) assembly on an integrally-geared sCO 2 compressor (IGC) to demonstrate compressor operation at both the compressor design point and near the dome and to define the operating limits of the compressor by monitoring for two-phase flow, flow turbulence from the IGVs, and compressor choke and surge as the CO 2 inlet temperature is varied. Performance testing was conducted on an existing integrally-geared, two-stage main compressor designed for near-critical-point operation with CO 2 . This testing campaign validated the IGV design and operation, as well as improved the understanding and confidence in operating compressors and predicting performance characteristics near the critical point where fluid properties change rapidly with temperature. In addition to improving the robust operating limits of an sCO 2 compressor, the development of an IGV for the IGC system improved off-design compressor efficiency by 12%.

25 ENERGY STORAGE↗
DOE OSTI2025

Experimental Investigation of Vapor Formation in Liquid CO2 Flow Through a Converging-Diverging Nozzle

Carbon dioxide is an attractive working fluid for many cycles, including for pumped thermal energy storage (PTES). A challenge with some proposed sCO2 PTES cycles is the operation of sCO2 machinery outside the typical bounds of experience, with local phase change from the liquid state being particularly unknown. Presently, there is insufficient data in the literature regarding multiphase CO2 to adequately design a multiphase-tolerant turbine, so generation of foundational data is required. This experimental study investigates the flow characteristics of sub-sonic liquid CO2 undergoing expansion and phase change in a converging-diverging nozzle. The nozzle is instrumented to measure static pressure, unsteady pressure, temperature, and density. The static pressure transducers are located at 27 axial locations to accurately characterize the pressure profile in the nozzle. High-accuracy RTDs are located at the entrance and exit of the nozzle, and three dynamic pressure transducers are strategically located to capture any unsteady phenomena. During testing, values of mass flow and nozzle inlet pressure are swept to vary the pressure drop and fluid properties. The measured total pressure drop in the nozzle is compared to a homogenous model and the Lockhart-Martinelli correlation method, with the latter predicting loss quite closely. The resulting data set is valuable for validating multiphase numerical models in a simple geometry before implementation of these models in turbomachinery design.

25 ENERGY STORAGE↗
DOE OSTI2024

Investigation of two-dimensional radio-frequency sheath properties using a microscale fluid model

Abstract In previous work (Kohno and Myra 2023 Comput. Phys. Commun. 291 108841), we developed a numerical scheme based on a two-dimensional microscale radio-frequency (RF) sheath model with periodically curved wall boundaries. Here, we expand the capability of this scheme through modification of the boundary conditions (BCs) on the conducting walls, which allows the ion flow to turn back to the plasma at locations on the walls where the electromagnetic force on the ions is reversed from its usual direction. Numerical simulations are carried out to investigate the dependences of the surface-integrated admittances on the wall bump height, ion magnetization, ion mobility, and the magnetic field angle, and to visualize the sheath structures in several cases. One of the main results is the ion cyclotron admittance resonance observed under the condition of low ion mobility (high normalized frequency). It is shown that the amplitude of the resonance peak depends on the wall bump height and the ion velocity is reversed on the sides of the bump in an RF cycle for the resonance cases. Furthermore, the differences in the admittances between the one- and two-dimensional microscale models are assessed for the purpose of understanding non-locality of the sheath near the wall surface for the parameters considered in this study. This information will be essential for improving the sheath BC for macroscale calculations in the future.

Kohno, H. (ORCID:0000000332690010)↗
DOE OSTI2025

A code-to-code benchmark for magneto-convection in a horizontal duct

Liquid metals and magnetic fields are used in many technical applications such as metallurgy, crystal growth and nuclear fusion reactors. When an electrically conducting fluid moves in a magnetic environment, electric currents and electromagnetic forces are generated that affect velocity and pressure losses in the flow. These magnetohydrodynamic (MHD) interactions have to be investigated to optimize the engineering processes. The characteristics of MHD flows depend on the geometrical configuration, the strength of the applied magnetic field, the electrical properties of fluid and structural materials and the thermal conditions. In the so-called blankets for fusion reactors, where liquid metals are used to breed the plasma fuel component tritium and to extract the generated heat, magneto-convective flows play a crucial role in determining heat and mass transfer. Therefore, the availability of numerical codes to simulate this type of flow is mandatory and their validation is a necessary step to guarantee the reliability of the results. For that reason, a benchmark problem has been defined to simulate liquid metal flows in a horizontal rectangular duct heated from below and exposed to a non-uniform magnetic field. Results obtained by five research groups using different codes are compared.

benchmark↗