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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics

Recent developments in the field of nonequilibrium thermodynamics associated with viscous flows are examined and related to developments to the understanding of specific phenomena in aerodynamics and aeroacoustics. A key element of the nonequilibrium theory is the principle of minimum entropy production rate for steady dissipative processes near equilibrium, and variational calculus is used to apply this principle to several examples of viscous flow. A review of nonequilibrium thermodynamics and its role in fluid motion are presented. Several formulations are presented of the local entropy production rate and the local energy dissipation rate, two quantities that are of central importance to the theory. These expressions and the principle of minimum entropy production rate for steady viscous flows are used to identify parallel-wall channel flow and irrotational flow as having minimally dissipative velocity distributions. Features of irrotational, steady, viscous flow near an airfoil, such as the effect of trailing-edge radius on circulation, are also found to be compatible with the minimum principle. Finally, the minimum principle is used to interpret the stability of infinitesimal and finite amplitude disturbances in an initially laminar, parallel shear flow, with results that are consistent with experiment and linearized hydrodynamic stability theory. These results suggest that a thermodynamic approach may be useful in unifying the understanding of many diverse phenomena in aerodynamics and aeroacoustics.

Horne, W. Clifton↗
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↗
NASA NTRS1993

An estimate of the second law thermodynamic efficiency of the various units comprising an Environmental Control and Life Support System (ECLSS)

The objective of this paper is to present an estimate of the second law thermodynamic efficiency of the various units comprising an Environmental Control and Life Support System (ECLSS). The technique adopted here is based on an evaluation of the 'lost work' within each functional unit of the subsystem. Pertinent information for our analysis is obtained from a user interactive integrated model of an ECLSS. The model was developed using ASPEN. A potential benefit of this analysis is the identification of subsystems with high entropy generation as the most likely candidates for engineering improvements. This work has been motivated by the fact that the design objective for a long term mission should be the evaluation of existing ECLSS technologies not only the basis of the quantity of work needed for or obtained from each subsystem but also on the quality of work. In a previous study Brandhorst showed that the power consumption for partially closed and completely closed regenerable life support systems was estimated as 3.5 kw/individual and 10-12 kw/individual respectively. With the increasing cost and scarcity of energy resources, our attention is drawn to evaluate the existing ECLSS technologies on the basis of their energy efficiency. In general the first law efficiency of a system is usually greater than 50 percent. From literature, the second law efficiency is usually about 10 percent. The estimation of second law efficiency of the system indicates the percentage of energy degraded as irreversibilities within the process. This estimate offers more room for improvement in the design of equipment. From another perspective, our objective is to keep the total entropy production of a life support system as low as possible and still ensure a positive entropy gradient between the system and the surroundings. The reason for doing so is as the entropy production of the system increases, the entropy gradient between the system and the surroundings decreases, and the system will gradually approach equilibrium with the surroundings until it reaches the point where the entropy gradient is zero. At this point no work can be extracted from the system. This is called the 'dead state' of the system.

Chatterjee, Sharmista↗
DOE OSTI2025

Revisiting the First, Second and Combined Laws of Thermodynamics

The present study revisits the first, second, and combined laws of thermodynamics by introducing partial internal energy in the first law, entropy production and partial entropy in entropy change, and partial volume in the context of work exchange. These developments yield a more rigorous and internally consistent thermodynamic framework, within which chemical potential is defined as the partial derivative of internal energy with respect to composition at constant entropy and volume, and is related to partial internal energy, partial entropy, and partial volume.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Shock wave interaction with an abrupt area change

The wave patterns that occur when a shock wave interacts with an abrupt area changed are analyzed in terms of the incident shock wave Mach number and area-jump ratio. The solutions predicted by a semi-similar models are in good agreement with those obtained numerically from the quasi-one-dimensional time-dependent Euler equations. The entropy production for the wave system is defined and the principle of minimum entropy production is used to resolve a nonuniqueness problem of the self-similar model.

Salas, Manuel D.↗
NASA NTRS1972

Shock waves and drag in the numerical calculation of isentropic transonic flow

Properties of the shock relations for steady, irrotational, transonic flow are discussed and compared for the full and approximate governing potential in common use. Results from numerical experiments are presented to show that the use of proper finite difference schemes provide realistic solutions and do not introduce spurious shock waves. Analysis also shows that realistic drags can be computed from shock waves that occur in isentropic flow. In analogy to the Oswatitsch drag equation, which relates the drag to entropy production in shock waves, a formula is derived for isentropic flow that relates drag to the momentum gain through an isentropic shock. A more accurate formula for drag, based on entropy production, is also derived, and examples of wave drag evaluation based on these formulas are given and comparisons are made with experimental results.

Steger, J. L.↗
NASA NTRS1991

A survey of the role of thermodynamic stability in viscous flow

The stability of near-equilibrium states has been studied as a branch of the general field of nonequilibrium thermodynamics. By treating steady viscous flow as an open thermodynamic system, nonequilibrium principles such as the condition of minimum entropy-production rate for steady, near-equilibrium processes can be used to generate flow distributions from variational analyses. Examples considered in this paper are steady heat conduction, channel flow, and unconstrained three-dimensional flow. The entropy-production-rate condition has also been used for hydrodynamic stability criteria, and calculations of the stability of a laminar wall jet support this interpretation.

Horne, W. C.↗
NASA NTRS1993

Energy transports by ocean and atmosphere based on an entropy extremum principle. I - Zonal averaged transports

The maximum entropy production principle suggested by Paltridge (1975) is applied to separating the satellite-determined required total transports into atmospheric and oceanic components. Instead of using the excessively restrictive equal energy dissipation hypothesis as a deterministic tool for separating transports between the atmosphere and ocean fluids, the satellite-inferred required 2D energy transports are imposed on Paltridge's energy balance model, which is then solved as a variational problem using the equal energy dissipation hypothesis only to provide an initial guess field. It is suggested that Southern Ocean transports are weaker than previously reported. It is argued that a maximum entropy production principle can serve as a governing rule on macroscale global climate, and, in conjunction with conventional satellite measurements of the net radiation balance, provides a means to decompose atmosphere and ocean transports from the total transport field.

Sohn, Byung-Ju↗
DOE OSTI2025

Tightening the thermodynamic uncertainty relations with null-entropy events: What we learn when nothing happens

Fluctuation theorems establish that thermodynamic processes at the microscale can occasionally result in negative entropy production. At the microscale, another distinct possibility becomes more likely: processes where no entropy is produced overall. In this work, we explore the constraints imposed by such null-entropy events on the fluctuations of thermodynamic currents. By incorporating the probability of null-entropy events, we obtain tighter bounds on finite-time thermodynamic uncertainty relations derived from fluctuation theorems. We validate this framework using an example of a qudit SWAP engine.

FOS: Physical sciences↗
NASA NTRS2017

The Root Cause of the Overheating Problem

Previously we identified the receding flow, where two fluid streams recede from each other, as an open numerical problem, because all well-known numerical fluxes give an anomalous temperature rise, thus called the overheating problem. This phenomenon, although presented in several textbooks, and many previous publications, has scarcely been satisfactorily addressed and the root cause of the overheating problem not well understood. We found that this temperature rise was solely connected to entropy rise and proposed to use the method of characteristics to eradicate the problem. However, the root cause of the entropy production was still unclear. In the present study, we identify the cause of this problem: the entropy rise is rooted in the pressure flux in a finite volume formulation and is implanted at the first time step. It is found theoretically inevitable for all existing numerical flux schemes used in the finite volume setting, as confirmed by numerical tests. This difficulty cannot be eliminated by manipulating time step, grid size, spatial accuracy, etc, although the rate of overheating depends on the flux scheme used. Finally, we incorporate the entropy transport equation, in place of the energy equation, to ensure preservation of entropy, thus correcting this temperature anomaly. Its applicability is demonstrated for some relevant 1D and 2D problems. Thus, the present study validates that the entropy generated ab initio is the genesis of the overheating problem.

Liou, Meng-Sing↗
NASA NTRS1972

Shock melting and vaporization of metals.

The effect of initial porosity on shock induction of melting and vaporization is investigated for Ba, Sr, Li, Fe, Al, U, and Th. For the less compressible of these metals, it is found that for a given strong shock-generation system (explosive in contact, or flyer-plate impact) an optimum initial specific volume exists such that the total entropy production, and hence the amount of metal liquid or vapor, is a maximum. Initial volumes from 1.4 to 2.0 times crystal volumes, depending on the metal sample and shock-inducing system, will result in optimum post-shock entropies.

Ahrens, T. J.↗
NASA NTRS2003

Update on Area Production in Mixing of Supercritical Fluids

The focus of this research is on supercritical C7H16/N2 and O2/H2 mixing layers undergoing transitions to turbulence. The C7H16/N2 system serves as a simplified model of hydrocarbon/air systems in gas-turbine and diesel engines; the O2/H2 system is representative of liquid rocket engines. One goal of this research is to identify ways of controlling area production to increase disintegration of fluids and enhance combustion in such engines. As used in this research, "area production" signifies the fractional rate of change of surface area oriented perpendicular to the mass-fraction gradient of a mixing layer. In the study, a database of transitional states obtained from direct numerical simulations of the aforementioned mixing layers was analyzed to investigate global layer characteristics, phenomena in regions of high density-gradient magnitude (HDGM), irreversible entropy production and its relationship to the HDGM regions, and mechanisms leading to area production.

Okongo, Nora↗
NASA NTRS1988

Primordial nucleosynthesis with decaying particles. I - Entropy-producing decays. II - Inert decays

The effect of a nonrelativistic particle X, which decays out of equilibrium, on primordial nucleosynthesis is investigated, including both the energy density of the X particle and the electromagnetic entropy production from its decay. The results are parametrized in terms of the X particle lifetime and the density parameter rm(X), where m(X) is the X particle mass and r is the ratio of X number density to photon number density prior to nucleosynthesis. The results rule out particle lifetimes greater than 1-10 s for large values of rm(X). The question of a decaying particle which produces no electromagnetic entropy in the course of its decay is addressed, and particles which produce both entropy and an inert component in their decay are discussed.

Scherrer, Robert J.↗
DOE OSTI2026

Structure preservation using discrete gradients in the Vlasov-Poisson-Landau system

We present a novel structure-preserving framework for solving the Vlasov-Poisson-Landau system of equations using a particle in cell (PIC) discretization combined with discrete gradient time integrators. The Vlasov-Poisson-Landau system is an accurate model for studying hot plasma dynamics at a kinetic scale where small-angle Coulomb collisions dominate. Our scheme guarantees conservation of mass, momentum and energy as well as preservation of the monotonicity of entropy production in both the time-continuous and discrete systems. We employ the conservative integrator for both the Hamiltonian Vlasov-Poisson equations and the dissipative Landau equation using the PETSc library (www.mcs.anl.gov/petsc) to showcase structure-preserving properties.

Discrete gradients↗
DOE OSTI2025

Lectures on statistical mechanics

Presented here is a transcription of the lecture notes from Professor Allan N. Kaufman’s graduate statistical mechanics course Physics 212A and 212B at the University of California Berkeley from the 1972–1973 academic year. 212A addressed equilibrium statistical mechanics with topics: fundamentals (micro-canonical and sub-canonical ensembles, adiabatic law and action conservation, fluctuations, pressure, and virial theorem), classical fluids and other systems (equation of state, deviations from ideality, virial coefficients and van der Waals potential, canonical ensemble and partition function, quasistatic evolution, grand-canonical ensemble and partition function, chemical potential, simple model of a phase transition, quantum virial expansion, numerical simulation of equations of state, and phase transition), chemical equilibrium (systems with multiple species and chemical reactions, law of mass action, Saha equation, chemical equilibrium including ionization and excited states), and long-range interactions (including Coulomb, dipole, and gravitational interactions, Debye–Hückel theory, and shielding). 212B addressed nonequilibrium statistical mechanics with topics: fundamentals (definitions: realizations, moments, characteristic function, and discrete variables), Brownian motion (Langevin equation, fluctuation–dissipation theorem, spatial diffusion, Boltzmann’s H-theorem), Liouville and Klimontovich equations, Landau equation (derivation, elaboration, and H-theorem, and irreversibility), Markov processes and Fokker–Planck equation (derivations of the Fokker–Planck equation and a master equation), linear response and transport theory (linear Boltzmann equation, linear response theory of Kubo and Mori, relation of entropy production to electrical conductivity, transport relations and coefficients, normal mode solutions of the transport equations, sketch of a generalized Langevin equation method for transport theory), and an introduction to nonequilibrium quantum statistical mechanics.

plasma dynamics↗
DOE OSTI2025

Remote Sensing of Live Fuel Moisture for Wildfires Using SMAP Satellite Observations

Live Fuel Moisture (LFM) is a critical parameter for wildfire risk assessment, traditionally measured by labor-intensive field sampling. However, sampled LFM data are influenced by site-specific factors, such as local vegetation types and plant traits, and are often collected retrospectively after wildfire events, making it difficult to obtain pre-fire data for predictive applications. Here, we evaluate the relationship between LFM and Vegetation Water Content (VWC) and Soil Moisture (SM) retrieved from SMAP L-band brightness temperature using the Maximum Entropy Production (MEP) approach. The MEP-retrieved VWC exhibited strong correlation with in situ measurements of LFM ( r > 0.6) in the Western U.S. The integration of high-resolution vegetation coverage data enhances the detection of sub-grid vegetation heterogeneity. This study demonstrates the operational potential of remote sensing derived VWC as a scalable proxy of LFM, supporting its application in regional assessment of wildfire risk.

Cho, Kyeungwoo [Georgia Institute of Technology, A↗
DOE OSTI2025

Effective Action for Relativistic Hydrodynamics from the Crooks Fluctuation Theorem

A new effective theory framework for fluctuating hydrodynamics in the relativistic regime is derived using standard thermodynamical principles and general properties of nonequilibrium stochastic dynamics. For the first time, we establish clear and concise conditions for ensuring that the resulting effective theories are causal, stable, and well-posed within general relativity. Here, these properties are independent of spacetime foliation and are valid in the full nonlinear regime. Out-of-equilibrium fluctuations are constrained by a relativistically covariant version of the Crooks fluctuation theorem, which determines how the entropy production is distributed even when the system is driven by an external force. This leads to an emerging Z 2 symmetry responsible for imposing fluctuation-dissipation relations for n-point correlation functions, which matches the standard constraints for the Schwinger-Keldysh effective action.

Fluctuation theorems↗
DOE OSTI2026

Quark flavor equilibration of the quark-gluon plasma

The early stage of a heavy-ion collision is marked by rapid entropy production and the transition from a gluon saturated initial condition to a plasma of quarks and gluons that evolves hydrodynamically. However, during the early times of the hydrodynamic evolution, the chemical composition of the QCD medium is still largely unknown. We present a study of quark chemical equilibration in the (Q)GP using a novel model of viscous hydrodynamic evolution in partial chemical equilibrium. Motivated by the success of gluon saturated initial condition models, we initialize the QCD medium as a completely gluon dominated state. Local quark production during the hydrodynamic phase is then simulated through the evolution of time-dependent fugacities for each independent quark flavor, with the timescales set as free parameters to compare different rates of equilibration. We present the results of complete heavy-ion collision simulations using this partial chemical equilibrium model, and show the effects on hadronic and electromagnetic observables. In particular, we show that the development of flow is sensitive to the equilibration timescale, providing an empirical way to probe the chemical equilibration of the QCD medium.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗