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Results for “Thermodynamic states and processes”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Staircases of passive and active scalar concentration in cellular flow

This paper develops a unified model for staircase formation in both passive and active scalar systems, building upon prior numerical studies by offering new heuristic and physical insights. While prior studies primarily reported numerical results, they did not explore the underlying unifying physics that governs both types of scalar transport; this work addresses that gap by identifying shared mechanisms across both cases. Results of studies of passive and active scalar staircase formation in cellular flows are presented. Staircase formation in cellular flows occurs due to the interplay of fast mixing within cells and slow transport across the inter-cell boundary. The cell boundary emerges as a de facto transport barrier. Special attention is focused on the effects of cellular fluctuations and noise upon staircase structure. A forced, fluctuating vortex array model is used to drive the underlying flow structure. Cellular Peclet number and staircase profile curvature are identified as figures-of-merit to quantify the resiliency of layering. These are related to simple, multi-scatterer scalar random walk models. Results for Peclet number and curvature scaling with flow excitation are presented. We also study staircases of magnetic potential evolving in two-dimensional magnetohydrodynamics as examples of layering of active scalar concentration. Formation of magnetic potential staircases is indeed observed. Flux expulsion inhibits the intercellular transport of magnetic potential and strengthens staircase barriers. Magnetic staircases can be supported against resistive decay by magnetic potential noise forcing. Implications for staircase formation in magnetic confinement experiments are discussed.

Control theory↗
DOE OSTI2024

Sound speed measurements in shock-compressed cemented Tungsten carbides at pressures up to 100 GPa

To gain insights into thermodynamic states attained during shock compression of cemented tungsten carbide with 3.7 wt.% cobalt binder, we present results of longitudinal sound (release wave) speed measurements and their analysis at peak stresses up to 100 GPa (volumetric compression ratio ~ 15%). The sound speeds are determined using front-surface impact and release-wave overtake plate impact experimental configurations using laser interferometry. The measured sound speed data along with estimates for bulk sound speeds obtained using the fourth-order Birch-Murnaghan EoS and thermodynamics are used to determine the longitudinal moduli and shear moduli of shocked tungsten carbide at the various peak compression states attained in the experiments. Here, the longitudinal sound speeds were found to increase linearly with volume compression ratio from 6.97 ± 0.010 km/s at ambient conditions to 8.26 ± 0.156 km/s at a volume compression ratio of ~ 15%. The corresponding longitudinal elastic moduli also increase nearly linearly with the volume compression ratio but remain consistently lower than their theoretical predictions based on continuum models with no damage. Also, the sensitivity of shear moduli to pressure, as predicted by the Steinberg-Guinan model, is reduced substantially and the shear moduli of cemented WC with 3.7 wt.% Co remains nearly constant at ~ 310 GPa at the various peak compression stress states investigated in the present study.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Foundations of magnetohydrodynamics

In this tutorial, a derivation of magnetohydrodynamics (MHD) valid beyond the usual ideal gas approximation is presented. Non-equilibrium thermodynamics is used to obtain conservation equations and linear constitutive relations. When coupled with Maxwell's equations, this provides closed fluid equations in terms of material properties of the plasma, described by the equation of state and transport coefficients. These properties are connected to microscopic dynamics using the Irving–Kirkwood procedure and Green–Kubo relations. Symmetry arguments and the Onsager–Casimir relations allow one to vastly simplify the number of independent coefficients. Importantly, expressions for current density, heat flux, and stress (conventionally Ohm's law, Fourier's law, and Newton's law) take different forms in systems with a non-ideal equation of state. The traditional form of the MHD equations, which is usually obtained from a Chapman–Enskog solution of the Boltzmann equation, corresponds to the ideal gas limit of the general equations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization

Equations of state (EOSs) are a key component in running hydrodynamic simulations as they relate the thermodynamic states for the material. The Davis reactants EOS is commonly used for modeling high explosives (HEs), and the EOS model parameters are calibrated using material specific data. The calibrations are often performed with uncertainty quantification via Bayesian inference to account for uncertainty in the data and generate ensembles of likely parameters. However, there are relatively few HE data sets to use for calibration and many are historical and lack error information. In this work, we simultaneously calibrate the Davis reactants EOS model parameters and unknown data error terms for the high explosive PBX 9501. To quantify the uncertainty in the models and the data, we use a Bayesian framework for the calibration and compute the hierarchical Bayesian posterior distribution with both a posteriori maximization approach and Markov Chain Monte Carlo. In general, we find that, given our assumptions, the two approaches result in similar calibrated parameters, posterior covariance matrices, and insights about the parameters but that the posterior maximization requires far less computational resources.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2014

Analytical Model for Steady Flow through a Finite Channel with One Porous Wall with Arbitrary Variable Suction or Injection

This paper presents an exact solution of two-dimensional laminar flow through a finite length channel with one porous wall. It improves upon previous solutions by (1) satisfying the no-slip boundary condition at the channel dead end, (2) adding a turbulent term to the porous wall boundary condition, (3) allowing for arbitrary variable suction or injection across the porous wall, and (4) model validation against new cryogenic liquid hydrogen and oxygen experimental data. Of particular interest in the current work is the modeling of cryogenic propellant flow through a porous liquid acquisition device (LAD) screen and channel inside a propellant tank. First, a detailed review of the literature is presented for previously attempted solutions to channel flow with one porous wall. Next, the governing equations, boundary conditions, and model assumptions are used to derive the analytical flow solution and present general model results for pressure and velocity fields within the channel. Then, the model solution is compared with horizontal LAD channel flow data in liquid oxygen as well as vertical LAD channel flow data in an inverted outflow configuration in liquid hydrogen. Model results are used to update the static cryogenic bubble point pressure model with a dynamic bubble point term which factors in enhanced convection and cooling at the screen during propellant outflow. Convective heat transfer at the LAD screen during outflow is also quantified by comparing model and data. The new analytical flow solution with the dynamic bubble point model is shown to compare well with available cryogenic experimental data

Navier Stokes Equations↗
DOE OSTI2025

Geologic hydrogen as an emerging fuel: experimental insights, thermodynamics, kinetics, and reactive transport modeling

Geologic hydrogen (GeoH 2 ) is emerging as a viable clean energy source. It is largely produced through serpentinization, a geological process in which ultramafic rocks react with water under suitable temperature and pressure. Here, this review synthesizes the current understanding of H 2 generation by serpentinization, with an emphasis on reaction mechanisms, kinetics, and thermodynamics, as well as on modeling flow and transport of reacting fluids in geological formations. We describe the role of mineral assemblages, such as olivine and pyroxene, fluid-rock interactions, and catalytic surfaces, in influencing GeoH 2 yield and reaction rates. By integrating models of reaction kinetics, subsurface reactive flow and transport, and the serpentinization process, and by accounting for the thermodynamic state of the system, this review aims to guide future GeoH 2 research and to evaluate the potential of natural hydrogen as a sustainable clean energy source.

Moradi, Rasoul [Univ. of Southern California, Los ↗
NASA NTRS1998

Computational Analysis of Shock Layer Emission Measurements in an Arc-Jet Facility

This paper reports computational analysis of radiation emission experiments in a high enthalpy arc-jet wind tunnel at NASA Ames Research Center. Recently, as part of ongoing arc-jet characterization work, spectroscopic radiation emission experiments have been conducted at the 20 MW NASA Ames arc-jet facility. The emission measurements were obtained from the arc-jet freestream and from a shock layer formed in front of flatfaced models. Analysis of these data is expected to provide valuable information about the thermodynamic state of the gas in the arc-jet freestream and in the shock layer as well as thermochemical equilibration processes behind the shock in arc-jet flows. Knowledge of the thermodynamic state of the gas in arc-jet test flows and especially within the shock layer is essential to interpret the heat transfer measurements such as in surface catalysis experiments. The present work is a continuation of previous work and focuses on analysis of the emission data obtained at relatively low-pressure conditions for which the arc-jet shock layer is expected to be in thermal and chemical nonequilibrium. Building blocks of the present computational analysis are: (1) simulation of nonequilibrium expanding flow in the converging-diverging conical nozzle and supersonic jet; (2) simulation of nonequilibrium shock layer formed in front of the flat-faced cylinder model; and (3) prediction of line-of-sight radiation from the computed flowfield. For computations of the nonequilibrium flow in the conical nozzle and shock layer, multi-temperature nonequilibrium codes with the axisymmetric formulation are used. For computations of line-of-sight radiation. a nonequilibrium radiation code (NEQAIR) is used to predict emission spectra from the computed flowfield. Computed line-of-sight averaged flow properties such as vibrational and rotational temperatures, species number densities within the shock layer will be compared with those deduced from the experimental spectra. Detailed comparisons of computational and experimental spectra will also be presented.

Gokcen, Tahir↗
NASA NTRS2000

Comments on "The Sensitivity Study of Radiative-Convective Equilibrium in the Tropics with a Convective Resolving Model"

In general, there are two broad scientific objectives when using cloud resolving models (CRMs or cloud ensemble models-CEMs) to study tropical convection. The first one is to use them as a physics resolving models to understand the dynamic and microphysical processes associated with the tropical water and energy cycles and their role in the climate system. The second approach is to use the CRMs to improve the representation of moist processes and their interaction with radiation in large-scale models. In order to improve the credibility of the CRMs and achieve the above goals, CRMs using identical initial conditions and large-scale influences need to produce very similar results. Two CRMs produced different statistical equilibrium (SE) states even though both used the same initial thermodynamic and wind conditions. Sensitivity tests to identify the major physical processes that determine the SE states for the different CRM simulations were performed. Their results indicated that atmospheric horizontal wind is treated quite differently in these two CRMs. The model that had stronger surface winds and consequently larger latent and sensible heat fluxes from the ocean produced a warmer and more humid modeled thermodynamic SE state. In addition, the domain mean thermodynamic state is more unstable for those experiments that produced a warmer and more humid SE state. Their simulated wet (warm and humid) SE states are thermally more stable in the lower troposphere (from the surface to 4-5 km in altitude). The large-scale horizontal advective effects on temperature and water vapor mixing ratio are needed when using CRMs to perform long-term integrations to study convective feedback under specified large-scale environments. In addition, it is suggested that the dry and cold SE state simulated was caused by enhanced precipitation but not enough surface evaporation. We find some problems with the interpretation of these three phenomena.

Tao, W.-K.↗
NASA NTRS1974

Strongly magnetized classical plasma models

Discrete particle processes in the presence of a strong external magnetic field were investigated. These processes include equations of state and other equilibrium thermodynamic relations, thermal relaxation phenomena, transport properties, and microscopic statistical fluctuations in such quantities as the electric field and the charge density. Results from the equilibrium statistical mechanics of two-dimensional plasmas are discussed, along with nonequilibrium statistical mechanics of the electrostatic guiding-center plasma (a two-dimensional plasma model).

Montgomery, D.↗
NASA NTRS1977

Thermodynamic processes induced by coherent radiation

It is shown by quantum statistics that under certain stated conditions the entropy of coherent radiation is zero and it is still negligible for multimode laser operation. This makes possible gas kinetic processes which, to a small extent, have already been observed or even utilized, but which can be greatly enhanced by an optimized choice of molecular structures and radiation conditions. Radiative cooling of gases is discussed in detail. The conditions for maximum heat withdrawal are derived, and it is proposed that the processes of cooling and relaxation heating can be sufficiently separated in time to achieve certain effects and thermodynamic cycles. One of these is the complete conversion, possible in principle, of coherent radiation into work. This concept is based on a heat pump process followed by heat-to-work conversion, the heat rejected being just equal to that withdrawn by radiation. The conditions for complete conversion turn out to be the same as for maximum heat withdrawal. The feasibility of these processes depends on the degree to which practical conditions can be met, and on the validity of certain assumptions which have to await experimental verification.

Garbuny, M.↗
DOE OSTI2025

Observation of Joule–Thomson photon-gas expansion

In recent years, a self-consistent optical thermodynamic framework has emerged that offers a systematic methodology to understand, harness and exploit the complex collective dynamics of multimode nonlinear systems. These developments now allow consideration of a series of longstanding problems in optics, including the prospect of funnelling the entire power flowing in a multimode system into its ground state, for which no methodology currently exists. Here, we demonstrate an all-optical Joule-Thomson expansion process mediated by photon-photon interactions whereby the temperature of the optical gas drops abruptly to zero. Our experiments in various configurations of coupled multicore nonlinear waveguide arrangements illustrate how light undergoing expansion-induced cooling can be channelled from arbitrary input states into the fundamental mode with near-unity efficiency. We show that the stability of the post-expansion state is ensured through an irreversible process of energy conversion. The all-optical thermodynamic phenomena explored in this study may enable innovative techniques where various uncorrelated but identical sources are merged into a unified spatially coherent state, offering a route for direct beam combining.

Kirsch, Marco S. (ORCID:0000000342798228)↗
NASA NTRS1991

Improved thermodynamic modeling of the no-vent fill process and correlation with experimental data

The United States' plans to establish a permanent manned presence in space and to explore the Solar System created the need to efficiently handle large quantities of subcritical cryogenic fluids, particularly propellants such as liquid hydrogen and liquid oxygen, in low- to zero-gravity environments. One of the key technologies to be developed for fluid handling is the ability to transfer the cryogens between storage and spacecraft tanks. The no-vent fill method was identified as one way to perform this transfer. In order to understand how to apply this method, a model of the no-vent fill process is being developed and correlated with experimental data. The verified models then can be used to design and analyze configurations for tankage and subcritical fluid depots. The development of an improved macroscopic thermodynamic model is discussed of the no-vent fill process and the analytical results from the computer program implementation of the model are correlated with experimental results for two different test tanks.

Taylor, William J.↗
NASA NTRS1991

Improved thermodynamic modelling of the no-vent fill process and correlation with experimental data

The United States plans to establish a permanent manned presence in space and to explore the Solar System have created the need to efficiently handle large quantities of subcritical cryogenic fluids, particularly propellants such as liquid hydrogen and liquid oxygen, in low- to zero-gravity environments. One of the key technologies to be developed for fluid handling is the ability to transfer the cryogens between storage and spacecraft tanks. The no-vent fill method has been identified as one way to perform this transfer. In order to understand how to apply this method, a model of the no-vent fill process is being developed and correlated with experimental data. The verified models then can be used to design and analyze configurations for tankage and subcritical fluid depots. This paper discusses the development of an improved macroscopic thermodynamic model of the no-vent fill process and correlates the analytical results from the computer program implementation of the model with experimental results for two different test tanks at NASA Lewis Research Center.

Taylor, W. J.↗
NASA NTRS1987

Kinetics and thermodynamics of chemical reactions in Li/SOCl2 cells

Work is described that was designed to determine the kinetic constants necessary to extrapolate kinetic data on Li/SOCl2 cells over the temperature range from 25 to 75 C. A second objective was to characterize as far as possible the chemical reactions that occur in the cells since these reactions may be important in understanding the potential hazards of these cells. The kinetics of the corrosion processes in undischarged Li/SOCl2 cells were determined and separated according to their occurrence at the anode and cathode; the effects that switching the current on and off has on the corrosion reactions was determined; and the effects of discharge state on the kinetics of the corrosion process were found. A thermodynamic analysis of the current-producing reactions in the cell was done and is included.

Hansen, Lee D.↗
DOE OSTI2024

Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies

Abstract The quantification of interphase properties between metals and their corresponding hydrides is crucial for modeling the thermodynamics and kinetics of the hydrogenation processes in solid-state hydrogen storage materials. In particular, interphase boundary energies assume a pivotal role in determining the kinetics of nucleation, growth, and coarsening of hydrides, alongside accompanying morphological evolution during hydrogenation. The total interphase energy arises from both chemical bonding and mechanical strains in these solid-state systems. Since these contributions are usually coupled, it is challenging to distinguish via conventional computational approaches. Here, a comprehensive atomistic modeling methodology is developed to decouple chemical and mechanical energy contributions using first-principles calculations, of which feasibility is demonstrated by quantifying chemical and elastic strain energies of key interfaces within the FeTi metal-hydride system. Derived materials parameters are then employed for mesoscopic micromechanical analysis, predicting crystallographic orientations in line with experimental observations. The multiscale approach outlined verifies the importance of the chemo-mechanical interplay in the morphological evolution of growing hydride phases, and can be generalized to investigate other systems. In addition, it can streamline the design of atomistic models for the quantitative evaluation of interphase properties between dissimilar phases and allow for efficient predictions of their preferred phase boundary orientations.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Convective heat transfer to low-temperature fluids

Research into forced and natural convection processes in low-temperature (cryogenic) fluids is reviewed with primary emphasis on forced convection. Boundaries of the near-critical region are defined, fluid properties near the critical state are discussed, and heat-transfer processes around the critical point are described. The thermodynamics of the critical point is analyzed together with transport properties of a near-critical fluid, and the quantum states of low-temperature molecular hydrogen (para and ortho) are discussed. Experimental work on heat transfer in free, natural, and forced convection systems is briefly summarized. Graham's (1969) penetration model for near-critical fluids is outlined, near-critical heat transfer is discussed in relation to conventional geometric effects, and the effects of curvature on the properties of near-critical hydrogen are noted. Theoretical considerations in free and forced convection are examined.

Graham, R. W.↗
NASA NTRS2003

Factors Affecting the Evolution of Hurricane Erin and the Distributions of Hydrometeors: Role of Microphysical Processes

Fine-resolution simulations of Hurricane Erin 2001 are conducted using the Penn State University/National Center for Atmospheric Research mesoscale model version 3.5 to investigate the role of thermodynamic, boundary layer and microphysical processes in Erin's growth and maintenance, and their effects on the horizontal and vertical distributions of hydrometeors. Through comparison against radar, radiometer, and dropsonde data collected during the Convection and Moisture Experiment 4, it is seen that realistic simulations of Erin are obtained provided that fine resolution simulations with detailed representations of physical processes are conducted. The principle findings of the study are as follows: 1) a new iterative condensation scheme, which limits the unphysical increase of equivalent potential temperature associated with most condensation schemes, increases the horizontal size of the hurricane, decreases its maximum rainfall rate, reduces its intensity, and makes its eye more moist; 2) in general, microphysical parameterization schemes with more categories of hydrometeors produce more intense hurricanes, larger hydrometeor mixing ratios, and more intense updrafts and downdrafts; 3) the choice of coefficients describing hydrometeor fall velocities has as big of an impact on the hurricane simulations as does choice of microphysical parameterization scheme with no clear relationship between fall velocity and hurricane intensity; and 4) in order for a tropical cyclone to adequately intensify, an advanced boundary layer scheme (e.g., Burk-Thompson scheme) must be used to represent boundary layer processes. The impacts of varying simulations on the horizontal and vertical distributions of different categories of hydrometeor species, on equivalent potential temperature, and on storm updrafts and downdrafts are examined to determine how the release of latent heat feedbacks upon the structure of Erin. In general, all simulations tend to overpredict precipitation rate and hydrometeor mixing ratios. The ramifications of these findings for quantitative precipitation forecasts (QPFs) of tropical cyclones are discussed.

McFarquhar, Greg M.↗
DOE OSTI2026

Thermodynamics and its prediction and CALPHAD modeling: Review, state of the art, and perspectives

Thermodynamics is a science concerning the state of a system, whether it is stable, metastable, or unstable, when interacting with its surroundings. The combined law of thermodynamics derived by Gibbs about 150 years ago laid the foundation of thermodynamics. In Gibbs combined law, the entropy production due to internal processes was not included, and the 2nd law was thus practically removed from the Gibbs combined law, so it is only applicable to systems under equilibrium, thus commonly termed as equilibrium or Gibbs thermodynamics. Gibbs further derived the classical statistical thermodynamics in terms of the probability of configurations in a system in the later 1800's and early 1900's. With the quantum mechanics (QM) developed in 1920's, the QM-based statistical thermodynamics was established and connected to classical statistical thermodynamics at the classical limit as shown by Landau in the 1940's. In 1960's the development of density functional theory (DFT) by Kohn and co-workers enabled the QM prediction of properties of the ground state of a system. On the other hand, the entropy production due to internal processes in non-equilibrium systems was studied separately by Onsager in 1930's and Prigogine and co-workers in the 1950's. In 1960's to 1970's the digitization of thermodynamics was developed by Kaufman in the framework of the CALculation of PHAse Diagrams (CALPHAD) modeling of individual phases with internal degrees of freedom. CALPHAD modeling of thermodynamics and atomic transport properties has enabled computational design of complex materials in the last 50 years. Our recently termed zentropy theory integrates DFT and statistical mechanics through the replacement of the internal energy of each individual configuration by its DFT-predicted free energy. The zentropy theory is capable of accurately predicting the free energy of individual phases, transition temperatures and properties of magnetic and ferroelectric materials with free energies of individual configurations solely from DFT-based calculations and without fitting parameters, and is being tested for other phenomena including superconductivity, quantum criticality, and black holes. Those predictions include the singularity at critical points with divergence of physical properties, negative thermal expansion, and the strongly correlated physics. Furthermore, those individual configurations may thus be considered as the genomic building blocks of individual phases in the spirit of the materials genome®. This has the potential to shift the paradigm of CALPHAD modeling from being heavily dependent on experimental inputs to becoming fully predictive with inputs solely from DFT-based calculations and machine learning models built on those calculations and existing experimental data through newly developed and future open-source tools. Furthermore, through the combined law of thermodynamics including the internal entropy production, it is shown that the kinetic coefficient matrix of independent internal processes is diagonal with respect to the conjugate potentials in the combined law, and the cross phenomena that the phenomenological Onsager flux and reciprocal relationships are due to the dependence of the conjugate potential of a molar quantity on nonconjugate molar quantities and other potentials, which can be predicted by the zentropy theory and CALPHAD modeling.

42 ENGINEERING↗