Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “equilibrium modeling”

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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Radiant Heating Tests on Meteoritic Material

A new effort geared toward modeling the physics of meteor entry and break-up is underway at NASA Ames Research Center. This is part of a broader interdisciplinary effort on providing physics-based risk assessment models for potentially hazardous objects. As part of the entry modeling task we are seeking to improve our understanding of, among other things, the ablation of meteoric material during high speed entry into earths atmosphere. Meteoroid entry differs greatly in some key respects from spacecraft entry modeling. First, the aerothermal environment at these high velocities (18 km/s) is dominated by radiation. Second, meteoroids less than, say, 50m in size, will likely lose a significant portion of their mass during the high-speed atmospheric entry process due to vaporization as well as melting and spallation. The mass of the object, in turn, directly affects the amount of energy deposited in the atmosphere, and therefore the amount of damage done. Thus it is important for us to understand and be able to model this process in greater detail in order to assess the hazard posed by these objects.In this presentation, we first give an overview of the simple ablation models that are typically used in meteor entry calculations. Additionally, we will present a new model which utilizes a similar approach to what is typically done for spacecraft TPS response modeling. This uses an equilibrium assumption near the surface to compute the ablation rate, as is done in heritage material response codes. Next we describe the radiant heating experiment which uses a high-powered laser to emulate the radiation dominated heating environment experienced by meteoroids during atmospheric entry. The facility the Laser Hardened Material Evaluation Laboratory (LHMEL) permits us to expose samples of meteoritic material to heating rates in excess of 100kW/sq.cm. An overview of the experimental set-up and test plan for the initial exploratory campaign at this facility will be given. Then we present both qualitative and quantitative results from this initial test series. Comparisons between predicted and measured ablation rates suggest that there may be significant blockage of the incident beam by the ablation plume. Furthermore, melt is shown to be a significant ablation mechanics, even at high heating rates (16 kW/sq.cm). Finally, comparisons between the phenomenology of the ablation of terrestrial rocks namely, basalt -- to that of meteorites show very different behavior. This is shown to likely be due in part to the effect of composition on the melt viscosity.

Stern, Eric↗
DOE OSTI2026

WIMP-like Dark Matter Without Thermalization At Freeze-Out

In the standard thermal relic scenario, dark matter remains in chemical equilibrium with the Standard Model radiation bath until freeze-out occurs at $T \sim m_X/20$, where $m_X$ is the dark matter mass. In this familiar class of models, the observed relic density is obtained for annihilation cross sections of order $σv \sim 10^{-26}$ cm$^3$/s. We show that comparable cross sections can naturally be realized in hidden-sector models in which the dark matter and Standard Model sectors decouple at a very high temperature, $T \gg m_X$, and subsequently evolve with separate thermal histories. Despite this decoupling, the two sectors have similar temperatures during freeze-out, leading to the usual thermal relic abundance. As a consequence, the coupling between the Standard Model and hidden sectors can be extremely small, potentially placing direct detection and collider signals far below foreseeable sensitivities.

Hooper, Dan [Wisconsin U., Madison] (ORCID:0009000↗
NASA NTRS1989

Non-LTE CO, revisited

A more extensive and detailed non-LTE simulation of the Delta v = 1 bands of CO than attempted previously is reported. The equations of statistical equilibrium are formulated for a model molecule containing 10 bound vibrational levels, each split into 121 rotational substates and connected by more than 1000 radiative transitions. Solutions are obtained for self-consistent populations and radiation fields by iterative application of the 'Lambda-operator' to an initial LTE distribution. The formalism is used to illustrate models of the sun and Arcturus. For the sun, negligible departures from LTE are found in either a theoretical radiative-equilibrium photosphere with outwardly falling temperatures in its highest layers or in a semiempirical hot chromosphere that reproduces the spatially averaged emission cores of Ca II H and K. The simulations demonstrate that the puzzling 'cool cores' of the CO Delta V = 1 bands observed in limb spectra of the sun and in flux spectra of Arcturus cannot be explained simply by non-LTE scattering effects.

Ayres, Thomas R.↗
DOE OSTI2019

Adsorption of Tracer Gases in Geological Media: Experimental Benchmarking

The interaction of xenon with containment barriers can play a crucial role in the detection of underground nuclear explosions. Independent field experiments and laboratory-derived models have observed depressed surface level xenon concentrations and subsequently predicted geological capture rates. This work sought to experimentally verify those predictions by analyzing xenon transport though a two-bulb diffusion apparatus adapted for the study of geologic media. Novel to this work is the timescale over which these experiments were carried out, allowing the system to reach equilibrium, rather than relying on numerical models to treat the equilibrium concentration of each gas as a fit coefficient.

Byers, Maggie↗
NASA NTRS2009

Implementation of Radiation, Ablation, and Free Energy Minimization Modules for Coupled Simulations of Hypersonic Flow

A description of models and boundary conditions required for coupling radiation and ablation physics to a hypersonic flow simulation is provided. Chemical equilibrium routines for varying elemental mass fraction are required in the flow solver to integrate with the equilibrium chemistry assumption employed in the ablation models. The capability also enables an equilibrium catalytic wall boundary condition in the non-ablating case. The paper focuses on numerical implementation issues using FIRE II, Mars return, and Apollo 4 applications to provide context for discussion. Variable relaxation factors applied to the Jacobian elements of partial equilibrium relations required for convergence are defined. Challenges of strong radiation coupling in a shock capturing algorithm are addressed. Results are presented to show how the current suite of models responds to a wide variety of conditions involving coupled radiation and ablation.

Gnoffo, Peter A.↗
DOE OSTI2022

Setup and verification of a SCALE/KENO platform for generic FHR benchmark calculations

The work presented in this article is preliminary to downstream analysis of a generic fluoride salt-cooled high-temperature reactor (gFHR) core performed by the University of Tennessee in collaboration with Kairos Power (KP). A Monte Carlo transport model of the publicly available gFHR equilibrium core is developed in SCALE/KENO with multigroup energy treatment. Several output quantities of interest are used to verify the simulations against a benchmark model developed by KP using the continuous energy Monte Carlo code Serpent 2. Good agreement is seen in flux and fission rate profiles with a maximum relative difference of 1.4% and 2.8% respectively. Furthermore, an effective multiplication factor bias of 44 pcm was observed between the two simulations. The fuel temperature reactivity coefficient calculated with SCALE is within uncertainty to the reference model. This verification acts as a publicly reproducible benchmark for the gFHR in SCALE/KENO. A simplified depletion model is also presented where a single fuel pebble is depleted to discharge burnup through the equilibrium core while the equilibrium core is assumed to be invariant. This method produces results that intercept the equilibrium core concentrations in every case, however, an interesting artifact of this particular depletion model is uncovered. The phenomenon is shown to be a fundamental feature of the differential rate equations and inspires questions about how this system behaves when the time evolution of the equilibrium core is considered. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2003

Finite-Rate Ablation Boundary Conditions for Carbon-Phenolic Heat-Shield

A formulation of finite-rate ablation surface boundary conditions, including oxidation, nitridation, and sublimation of carbonaceous material with pyrolysis gas injection, has been developed based on surface species mass conservation. These surface boundary conditions are discretized and integrated with a Navier-Stokes solver. This numerical procedure can predict aerothermal heating, chemical species concentration, and carbonaceous material ablation rate over the heatshield surface of re-entry space vehicles. In this study, the gas-gas and gas-surface interactions are established for air flow over a carbon-phenolic heatshield. Two finite-rate gas-surface interaction models are considered in the present study. The first model is based on the work of Park, and the second model includes the kinetics suggested by Zhluktov and Abe. Nineteen gas phase chemical reactions and four gas-surface interactions are considered in the present model. There is a total of fourteen gas phase chemical species, including five species for air and nine species for ablation products. Three test cases are studied in this paper. The first case is a graphite test model in the arc-jet stream; the second is a light weight Phenolic Impregnated Carbon Ablator at the Stardust re-entry peak heating conditions, and the third is a fully dense carbon-phenolic heatshield at the peak heating point of a proposed Mars Sample Return Earth Entry Vehicle. Predictions based on both finite-rate gas- surface interaction models are compared with those obtained using B' tables, which were created based on the chemical equilibrium assumption. Stagnation point convective heat fluxes predicted using Park's finite-rate model are far below those obtained from chemical equilibrium B' tables and Zhluktov's model. Recession predictions from Zhluktov's model are generally lower than those obtained from Park's model and chemical equilibrium B' tables. The effect of species mass diffusion on predicted ablation rate is also examined.

Chen, Y.-K.↗
DOE OSTI2022

Plutonium reactive transport in fractured granite: Multi-species experiments and simulations

Plutonium (Pu) in the subsurface environment can transport in different oxidation states as an aqueous solute or as colloidal particles. The transport behavior of Pu is affected by the relative abundances of these species and can be difficult to predict when they simultaneously exist. This study investigates the concurrent transport of Pu intrinsic colloids, Pu(IV) (aq) and Pu(V-VI) (aq) through a combination of controlled experiments and semi-analytical dual-porosity transport modeling. Pu transport experiments were conducted in a fractured granite at high and low flow rates to elucidate sorption processes and their scaling behavior. In the experiments, Pu(IV) (aq) was the least mobile of the Pu species, Pu(V-VI) (aq) had intermediate mobility, and the colloidal Pu, which consisted mainly of precipitated and/or hydrolyzed Pu(IV), was the most mobile. The semi-analytical modeling revealed that the sorption of each Pu species was rate-limited, as the sorption could not be described by assuming local equilibrium in the experiments. The model was able to describe the sorption of the different Pu species that occurring either on fracture surfaces, in the pores of the rock matrix, or simultaneously in both locations. While equally good fits to the data could be achieved using any of these assumptions, a fracture-dominated process was considered to be the most plausible because it provided the most reasonable estimates of sorption rate constants. Importantly, a key result of this work is that the sorption rate constant of all Pu species tends to decrease with increasing time scales, which implies that Pu will tend to be more mobile at longer time scales than observations at shorter time scales suggest. This result has important implications for predicting the environmental impacts of Pu in the safety assessments of geologic repositories for radioactive waste disposal, and we explore potential mechanistic bases for upscaling the sorption rate constants to time and distance scales that cannot be practically evaluated in experiments.

58 GEOSCIENCES↗
DOE OSTI2025

TRANSP integrated modeling code for interpretive and predictive analysis of tokamak plasmas

This paper provides a comprehensive review of the TRANSP code, a sophisticated tool for interpretive and predictive analysis of tokamak plasmas, detailing its major capabilities and features. It describes the equations for particle, power, and momentum balance analysis, as well as the poloidal field diffusion equations. The paper outlines the spatial and time grids used in TRANSP and details the equilibrium assumptions and solvers. Various models for heating and current drive and radiation, including updates to the NUBEAM model, are discussed. The handling of large-scale events such as sawtooth crashes and pellet injections is examined, along with the predictive capabilities for advancing plasma profiles. The integration of TRANSP with the ITER Integrated Modeling and Analysis Suite (IMAS) is highlighted, demonstrating enhanced data access and analysis capabilities. Additionally, the paper discusses best practices and continuous integration techniques to enhance TRANSP's robustness. The suite of TRANSP tools, designed for efficient data analysis and simulation, further supports the optimization of tokamak operations and coupling with other tokamak codes. Continuous development and support ensure that TRANSP remains a major code for the analysis of experimental data for controlled thermonuclear fusion, maintaining its critical role in supporting the optimization of tokamak operations and advancing fusion research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Periodic Korteweg–de Vries soliton potentials generate quasisymmetric magnetic field strength in a finite plasma- β equilibrium

Quasisymmetry (QS) is a hidden symmetry of the magnetic field strength, B , that enables effective confinement of charged particles in a fully three-dimensional (3D) toroidal plasma equilibrium. Such equilibria are typically modeled by the ideal magnetohydrostatic (MHS) equations. The nonlinear, overdetermined nature of the QS MHS equations severely complicates our understanding of the interplay between 3D shaping, equilibrium properties such as pressure and rotational transform, and B . Progress has been made through expansions near the magnetic axis; however, a more comprehensive theory is desirable. Using a combination of analysis and regression on a large dataset of numerically optimized quasisymmetric stellarators, we demonstrate that there is a hidden lower dimensionality of B on a magnetic flux surface with connections to the theory of periodic solitons. We show that B on a flux surface is determined by three or at most four flux functions, each of which determines a critical value of the derivative of B along the field line. While being consistent with the near-axis models, our results are global and hold even on the last closed flux surface.

Differential geometry↗
NASA NTRS2016

Platinum Partitioning at Low Oxygen Fugacity: Implications for Core Formation Processes

Highly siderophile elements (HSE = Au, Re, and the Pt-group elements) are tracers of silicate / metal interactions during planetary processes. Since most core-formation models involve some state of equilibrium between liquid silicate and liquid metal, understanding the partioning of highly siderophile elements (HSE) between silicate and metallic melts is a key issue for models of core / mantle equilibria and for core formation scenarios. However, partitioning models for HSE are still inaccurate due to the lack of sufficient experimental constraints to describe the variations of partitioning with key variable like temperature, pressure, and oxygen fugacity. In this abstract, we describe a self-consistent set of experiments aimed at determining the valence of platinum, one of the HSE, in silicate melts. This is a key information required to parameterize the evolution of platinum partitioning with oxygen fugacity.

Medard, E.↗
DOE OSTI2022

Transferability of data-driven, many-body models for CO 2 simulations in the vapor and liquid phases

Here, extending on the previous work by Riera et al. [J. Chem. Theory Comput. 16, 2246–2257 (2020)], we introduce a second generation family of data-driven many-body MB-nrg models for CO 2 and systematically assess how the strength and anisotropy of the CO 2 –CO 2 interactions affect the models’ ability to predict vapor, liquid, and vapor–liquid equilibrium properties. Building upon the many-body expansion formalism, we construct a series of MB-nrg models by fitting one-body and two-body reference energies calculated at the coupled cluster level of theory for large monomer and dimer training sets. Advancing from the first generation models, we employ the charge model 5 scheme to determine the atomic charges and systematically scale the two-body energies to obtain more accurate descriptions of vapor, liquid, and vapor–liquid equilibrium properties. Challenges in model construction arise due to the anisotropic nature and small magnitude of the interaction energies in CO 2 , calling for the necessity of highly accurate descriptions of the multidimensional energy landscape of liquid CO 2 . These findings emphasize the key role played by the training set quality in the development of transferable, data-driven models, which, accurately representing high-dimensional many-body effects, can enable predictive computer simulations of molecular fluids across the entire phase diagram.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Confirmation of saturation equilibrium conditions in crater populations

We have continued work on realistic numerical models of cratered surfaces, as first reported at last year's LPSC. We confirm the saturation equilibrium level with a new, independent test. One of us has developed a realistic computer simulation of a cratered surface. The model starts with a smooth surface or fractal topography, and adds primary craters according to the cumulative power law with exponent -1.83, as observed on lunar maria and Martian plains. Each crater has an ejecta blanket with the volume of the crater, feathering out to a distance of 4 crater radii. We use the model to test the levels of saturation equilibrium reached in naturally occurring systems, by increasing crater density and observing its dependence on various parameters. In particular, we have tested to see if these artificial systems reach the level found by Hartmann on heavily cratered planetary surfaces, hypothesized to be the natural saturation equilibrium level. This year's work gives the first results of a crater population that includes secondaries. Our model 'Gaskell-4' (September, 1992) includes primaries as described above, but also includes a secondary population, defined by exponent -4. We allowed the largest secondary from each primary to be 0.10 times the size of the primary. These parameters will be changed to test their effects in future models. The model gives realistic images of a cratered surface although it appears richer in secondaries than real surfaces are. The effect of running the model toward saturation gives interesting results for the diameter distribution. Our most heavily cratered surface had the input number of primary craters reach about 0.65 times the hypothesized saturation equilibrium, but the input number rises to more than 100 times that level for secondaries below 1.4 km in size.

Hartmann, William K.↗
DOE OSTI2022

Vapor–liquid equilibrium estimation of n-alkane/nitrogen mixtures using neural networks

Understanding fluid phase behavior, like VLE, in high P&T conditions is crucial for developing high-fidelity simulations of chemically reacting flows in liquid-fueled combustion systems and also forms an integral part of the design-modeling of the control processes in chemical industries. Two data-driven models have been proposed here in this study, each of which was competent in estimating VLE for the Type III binary systems of C 10 /N 2 and C 12 /N 2 , at pressures ranging up to 50–60 MPa. Both models showed better performance in predicting equilibrium pressure as compared to VLE modeled using PR-EOS. A modified model has also been proposed, capable of estimating the full phase envelope for the binary systems of C 10 /N 2 and C 12 /N 2 across a wide range of temperatures, and thus exhibit the mixture critical pressure at the concerned temperature. The diverse applicability of the proposed network architecture was further exhibited while estimating the VLE of a ternary system of C 1 /C 10 /N 2 .

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1992

Fluid hydrogen at high density - Pressure ionization

The Helmholtz-free-energy model for nonideal mixtures of hydrogen atoms and molecules by Saumon and Chabrier (1991) is extended to describe dissociation and ionization in similar mixtures in chemical equilibrium. A free-energy model is given that describes partial ionization in the pressure and temperature ionization region. The plasma-phase transition predicted by the model is described for hydrogen mixtures including such components as H2, H, H(+), and e(-). The plasma-phase transition has a critical point at Tc = 15,300 K and Pc = 0.614 Mbar, and thermodynamic instability is noted in the pressure-ionization regime. The pressure dissociation and ionization of fluid hydrogen are described well with the model yielding information on the nature of the plasma-phase transition. The model is shown to be valuable for studying dissociation and ionization in astrophysical objects and in high-pressure studies where pressure and temperature effects are significant.

Saumon, Didier↗
DOE OSTI2024

Dynamic urban land extensification is projected to lead to imbalances in the global land-carbon equilibrium

Abstract Human-Earth System Models and Integrated Assessment Models used to explore the land-atmosphere implications of future land-use transitions generally lack dynamic representation of urban lands. Here, we conduct an experiment incorporating dynamic urbanization in a multisector model framework. We integrate projected dynamic non-urban lands from a multisector model with projected dynamic urban lands from 2015 to 2100 at 1-km resolution to examine 1 st -order implications to the land system, crop production, and net primary production that can arise from the competition over land resources. By 2100, future urban extensification could displace 0.1 to 1.4 million km 2 of agriculture lands, leading to 22 to 310 Mt of compromised corn, rice, soybean, and wheat production. When considering increased corn production required to meet demands by 2100, urban extensification could cut increases in yields by half. Losses in net primary production from displaced forest, grassland, and croplands ranged from 0.24 to 2.24 Gt C yr −1 , potentially increasing land emissions by 1.19 to 6.59 Gt CO 2 yr −1 . Although these estimates do not consider adaptive responses, 1 st -order experiments can elucidate the individual role of sub-sectors that would otherwise be masked by model complexity.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Rough-to-smooth transition of an equilibrium neutral constant stress layer

A model is proposed for low-level atmospheric flows over terrains of changing roughness length, such as those found at the windward end of landing strips adjoining rough terrain. The proposed model is used to develop a prediction technique for calculating transition wind and shear-stress profiles in the region following surface roughness discontinuity. The model for the transition region comprises two layers: a logarithmic layer and a buffer layer. The flow is assumed to be steady, two-dimensional, and incompressible, with neutral hydrostatic stability. A diagram is presented for a typical wind profile in the transition region, obtained from the logarithmic and velocity defect profiles using shear stress calculated by relevant equations.

Logan, E., Jr.↗