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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Mercury-T: A New Code to Study Tidally Evolving Multi-Planet Systems. Applications to Kepler-62

A large proportion of observed planetary systems contain several planets in a compact orbital configuration, and often harbor at least one close-in object. These systems are then most likely tidally evolving. We investigate how the effects of planet-planet interactions influence the tidal evolution of planets. We introduce for that purpose a new open-source addition to the Mercury N-body code, Mercury-T, which takes into account tides, general relativity and the effect of rotation-induced flattening in order to simulate the dynamical and tidal evolution of multi-planet systems. It uses a standard equilibrium tidal model, the constant time lag model. Besides, the evolution of the radius of several host bodies has been implemented (brown dwarfs, M-dwarfs of mass 0:1 M(sub ⨀), Sun-like stars, Jupiter). We validate the new code by comparing its output for one-planet systems to the secular equations results. We find that this code does respect the conservation of total angular momentum. We applied this new tool to the planetary system Kepler-62. We find that tides influence the stability of the system in some cases. We also show that while the four inner planets of the systems are likely to have slow rotation rates and small obliquities, the fifth planet could have a fast rotation rate and a high obliquity. This means that the two habitable zone planets of this system, Kepler-62e ad f are likely to have very different climate features, and this of course would influence their potential at hosting surface liquid water..

Dynamical evolution and stability↗
NASA NTRSDate not supplied

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗
NASA NTRS2017

A Library of ATMO Forward Model Transmission Spectra for Hot Jupiter Exoplanets

We present a grid of forward model transmission spectra, adopting an isothermal temperature-pressure profile, alongside corresponding equilibrium chemical abundances for 117 observationally significant hot exoplanets (equilibrium temperatures of 547-2710 K). This model grid has been developed using a 1D radiative-convective-chemical equilibrium model termed ATMO, with up-to-date high-temperature opacities. We present an interpretation of observations of 10 exoplanets, including best-fitting parameters and X(exp 2) maps. In agreement with previous works, we find a continuum from clear to hazy/cloudy atmospheres for this sample of hot Jupiters. The data for all the 10 planets are consistent with subsolar to solar C/O ratio, 0.005 to 10 times solar metallicity and water rather than methane-dominated infrared spectra. We then explore the range of simulated atmospheric spectra for different exoplanets, based on characteristics such as temperature, metallicity, C/O ratio, haziness and cloudiness. We find a transition value for the metallicity between 10 and 50 times solar, which leads to substantial changes in the transmission spectra. We also find a transition value of C/O ratio, from water to carbon species dominated infrared spectra, as found by previous works, revealing a temperature dependence of this transition point ranging from approximately 0.56 to approximately 1-1.3 for equilibrium temperatures from approximately 900 to approximately 2600 K. We highlight the potential of the spectral features of HCN and C2H2 to constrain the metallicities and C/O ratios of planets, using James Webb Space Telescope (JWST) observations. Finally, our entire grid (approximately 460 000 simulations) is publicly available and can be used directly with the JWST simulator PandExo for planning observations.

techniques: spectroscopic – planets and satellit↗
NASA NTRS1992

Modeling of the near-electrode regions of arcjets. I - Coupling of the flowfield to the non-equilibrium boundary layers

A model for arc attachment at an anode in contact with a flowing thermal plasma is described. Current limitations are identified which arise when the convective transport of ions into the electrical, thermal and hydrodynamic boundary layers is incapable of supplying the loss of ions through three-body recombination in the volume, and catalytic recombination on the electrode surface. It is shown that the anode current where this condition is achieved can be exceeded provided there is a significant Joule heating in the boundary layer. The saturation current (current density above which the anode must emit ions) is found to substantially increase with increasing free stream velocity and anode temperature.

Cappelli, Mark A.↗
NASA NTRS2001

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Svizhenko, Alexei↗
NASA NTRS2002

Hydrodynamic Models of Line-Driven Accretion Disk Winds III: Local Ionization Equilibrium

We present time-dependent numerical hydrodynamic models of line-driven accretion disk winds in cataclysmic variable systems and calculate wind mass-loss rates and terminal velocities. The models are 2.5-dimensional, include an energy balance condition with radiative heating and cooling processes, and includes local ionization equilibrium introducing time dependence and spatial dependence on the line radiation force parameters. The radiation field is assumed to originate in an optically thick accretion disk. Wind ion populations are calculated under the assumption that local ionization equilibrium is determined by photoionization and radiative recombination, similar to a photoionized nebula. We find a steady wind flowing from the accretion disk. Radiative heating tends to maintain the temperature in the higher density wind regions near the disk surface, rather than cooling adiabatically. For a disk luminosity L (sub disk) = solar luminosity, white dwarf mass M(sub wd) = 0.6 solar mass, and white dwarf radii R(sub wd) = 0.01 solar radius, we obtain a wind mass-loss rate of M(sub wind) = 4 x 10(exp -12) solar mass yr(exp -1) and a terminal velocity of approximately 3000 km per second. These results confirm the general velocity and density structures found in our earlier constant ionization equilibrium adiabatic CV wind models. Further we establish here 2.5D numerical models that can be extended to QSO/AGN winds where the local ionization equilibrium will play a crucial role in the overall dynamics.

Pereyra, Nicolas Antonio↗
DOE OSTI2025

Effects of non-equilibrium ionization and excitation on radiation absorption in plasma plumes induced by ablation of metal targets with nanosecond laser pulses

Ionization and radiation absorption in nanosecond laser-induced plasma plumes are routinely modeled using the Saha–Boltzmann equilibrium ionization model (EQM). However, the equilibrium assumption can be inaccurate during the laser pulse when non-equilibrium effects significantly impact radiation absorption. In the present work, the EQM and non-equilibrium collisional-radiative model (CRM) are compared to reveal the effect of plasma non-equilibrium on radiation absorption in non-homogeneous plumes and degree of plasma shielding. Simulations of plume expansion induced by irradiation of a copper target in 1 atm argon background gas with a 10 ns Gaussian pulse at a fluence from 8 Jcm −2 to 14 Jcm −2 are performed with a hybrid computational model that couples a lumped particle direct simulation Monte Carlo method with either CRM or EQM. The simulations show that the EQM strongly underestimates the effects of ionization and radiation absorption compared to CRM and, contrary to the CRM, predict strong ionization of the background gas. The differences between the models are explained by the qualitatively different coupling between plume expansion and dynamics of ionization and exitation processes in the CRM and EQM under conditions when the characteristic times for most radiation- and electron-induced processes are longer than the pulse duration. The CRM-based predictions are also found to agree much better with available experimental data. In conclusion, these results indicate that the model of Saha–Boltzmann equilibrium cannot be used for reliable prediction of the degree of plasma shielding in plumes induced by nanosecond laser pulses or for processing results of spectroscopic measurements at early stages of expansion of such plumes.

Physics - Plasma physics↗
NASA NTRS1983

A study of plasmaspheric density distributions for diffusive equilibrium conditions

The plasmaspheric density distribution has been modeled for a range of solar cycle, seasonal and diurnal conditions with a magnetic flux tube dependent diffusive equilibrium model by using experimentally determined values of ionospheric parameters at 675 km as boundary conditions. Data is presented in terms of plasmaspheric H(+) and He(+) density contours, total flux tube content, and equatorial plasma density for a range of L-values from 1.15 to 3.0. The variation of equatorial density with L-value shows good agreement with the 1/L exp 4 dependence observed experimentally. The results show that the model predicts larger solar cycle and diurnal variation in equatorial plasma density than observed using whistler techniques. However, the whistler method requires a model to deduce the equatorial density and is therefore open to interpretation. Seasonal variations are rather artificial since in this general model no attempt has been made to match equatorial densities for flux tubes emanating from the winter and summer hemispheres.

Li, W.↗
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↗
NASA NTRS1989

The influence of centrifugal forces on the B field structure of an axially symmetric equilibrium magnetosphere

A model is presented of an axially symmetric pole-on magnetosphere in MHD force balance, in which both plasma thermal pressure gradients and centrifugal force are taken into account. Assuming that planetary rotation leads to differentially rotating magnetotail field lines, the deformation of magnetotail field lines under the influence of both thermal plasma pressure and centrifugal forces was calculated. Analytic solutions to the Grad-Shafranov equation are presented, which include the centrifugal force term. It is shown that the nonrotational magnetosphere with hot thermal plasma leads to a field configuration without a toroidal B(phi) component and without field-aligned Birkeland currents. The other extreme, a rapidly rotating magnetosphere with cold plasma, leads to a configuration in which plasma must be confined within a thin disk in a plane where the radial magnetic field component B(r) vanishes locally.

Ye, Gang↗
NASA NTRS1992

Comparing the results of an analytical model of the no-vent fill process with no-vent fill test results for a 4.96 cu m (175 cu ft) tank

NASA-Lewis has been investigating a no-vent fill method for refilling cryogenic storage tanks in low gravity. Analytical modeling based on analyzing the heat transfer of a droplet has successfully represented the process in 0.034 and 0.142 sq m commercial dewars using liquid nitrogen and hydrogen. Recently a large tank (4.96 sq m) was tested with hydrogen. This lightweight tank is representative of spacecraft construction. This paper presents efforts to model the large tank test data. The droplet heat transfer model is found to overpredict the tank pressure level when compared to the large tank data. A new model based on equilibrium thermodynamics has been formulated. This new model is compared to the published large scale tank's test results as well as some additional test runs with the same equipment. The results are shown to match the test results within the measurement uncertainty of the test data except for the initial transient wall cooldown where it is conservative (i.e., overpredicts the initial pressure spike found in this time frame).

Taylor, William J.↗
NASA NTRS1993

Comparing the results of an analytical model of the no-vent fill process with no-vent fill test results for a 4.96 cubic meters (175 cubic feet) tank

The NASA Lewis Research Center (NASA/LeRC) have been investigating a no-vent fill method for refilling cryogenic storage tanks in low gravity. Analytical modeling based on analyzing the heat transfer of a droplet has successfully represented the process in 0.034 m and 0.142 cubic m commercial dewars using liquid nitrogen and hydrogen. Recently a large tank (4.96 cubic m) was tested with hydrogen. This lightweight tank is representative of spacecraft construction. This paper presents efforts to model the large tank test data. The droplet heat transfer model is found to over predict the tank pressure level when compared to the large tank data. A new model based on equilibrium thermodynamics has been formulated. This new model is compared to the published large scale tank's test results as well as some additional test runs with the same equipment. The results are shown to match the test results within the measurement uncertainty of the test data except for the initial transient wall cooldown where it is conservative (i.e., overpredicts the initial pressure spike found in this time frame).

Taylor, William J.↗
NASA NTRS1981

Regional eddy vorticity transport and the equilibrium vorticity budgets of a numerical model ocean circulation

A mean vorticity budget analysis is presented of Holland's (1978) numerical ocean general circulation experiment. The stable budgets are compared with classical circulation theory to emphasize the ways in which the mesoscale motions of the model alter (or leave unaltered) classical vorticity balances. The basinwide meridional transports of vorticity by the mean flow and by the mesoscale flow in the mean are evaluated to establish the role(s) of the mesoscale in the larger scale equilibrium vorticity transports. The vorticity equation for this model fluid system is presented and the budget analysis method is described. Vorticity budgets over the selected regions and on a larger scale are given, and a summary of budget results is provided along with remarks about the utility of this type of analysis.

Harrison, D. E.↗
NASA NTRS2013

Modeling Inflation Using a Non-Equilibrium Equation of Exchange

Inflation is a change in the prices of goods that takes place without changes in the actual values of those goods. The Equation of Exchange, formulated clearly in a seminal paper by Irving Fisher in 1911, establishes an equilibrium relationship between the price index P (also known as "inflation"), the economy's aggregate output Q (also known as "the real gross domestic product"), the amount of money available for spending M (also known as "the money supply"), and the rate at which money is reused V (also known as "the velocity of circulation of money"). This paper offers first a qualitative discussion of what can cause these factors to change and how those causes might be controlled, then develops a quantitative model of inflation based on a non-equilibrium version of the Equation of Exchange. Causal relationships are different from equations in that the effects of changes in the causal variables take time to play out-often significant amounts of time. In the model described here, wages track prices, but only after a distributed lag. Prices change whenever the money supply, aggregate output, or the velocity of circulation of money change, but only after a distributed lag. Similarly, the money supply depends on the supplies of domestic and foreign money, which depend on the monetary base and a variety of foreign transactions, respectively. The spreading of delays mitigates the shocks of sudden changes to important inputs, but the most important aspect of this model is that delays, which often have dramatic consequences in dynamic systems, are explicitly incorporated.macroeconomics, inflation, equation of exchange, non-equilibrium, Athena Project

Chamberlain, Robert G.↗
DOE OSTI2020

Whose Gas is it anyway? Differentiating the Source of a Large Soil Vapor Plume beneath Two Adjacent Waste Sites - 20487

DOE contractor CH2M Hill Plateau Remediation Company is currently responsible for conducting groundwater contamination monitoring at several RCRA treatment, storage, and disposal units located on the Hanford Site in Richland, Washington State. The Nonradioactive Dangerous Waste Landfill treatment, storage, and disposal unit presents a distinct groundwater monitoring problem because of a large multi-contaminant soil vapor plume beneath it that is a likely source of low-level volatile organic compound groundwater contamination. Adjacent to Nonradioactive Dangerous Waste Landfill is the Solid Waste Landfill. Volatile organic compounds are inventory components of both the Nonradioactive Dangerous Waste Landfill and the Solid Waste Landfill. Therefore, it is possible that both sites could be contributing to the soil vapor plume. For regulatory purposes, it is important to differentiate which site is the primary contributor of volatile organic compounds to the plume. An approach was developed to identify the primary volatile organic compound source of the soil vapor plume beneath Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill. The site conceptual model hypothesis of vapor-phase volatile organic compound transport to the dissolved phase in groundwater was tested by a simple mathematical model of vapor/liquid equilibrium concentrations at the groundwater/air interface. Once it was shown that vapor-phase volatile organic compound transport to groundwater was a valid conceptual model for Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill, spatial and statistical methods were used to determine the primary site contributing to the majority of volatile organic compounds to the soil vapor plume. Average groundwater chloroform, tetrachloroethene, and trichloroethene concentrations from Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill monitoring network wells were plotted on maps of the facilities and immediate vicinities and compared to soil vapor sampling probe locations. Principal component analysis and mixing ratios were used to identify source contributions of each treatment, storage, and disposal unit to the plume. Results of the vapor/liquid equilibrium concentrations mathematical model showed that transport phenomena outweigh steady-state equilibria. Estimated vapor/liquid equilibrium concentrations were considerably lower than soil vapor measurements. The results indicate that dynamic vadose zone and groundwater factors such as decreased vapor concentrations with depth, vapor dilution from dispersion in the vadose zone, and advective and diffusional volatile organic compound dilution in groundwater result in groundwater volatile organic compound concentrations much less than would be measured under steady-state equilibrium conditions. Site source contribution differentiation by principal component analysis and mixing ratios was inconclusive using actual soil gas data because of the similarity in concentration values in both datasets for Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill. Similar data populations suggest mixing of the vapor contributions from both sites by dispersion through the soil matrix pore spaces. However, when groundwater volatile organic compound data were compared between the Nonradioactive Dangerous Waste Landfill and Solid Waste Landfill monitoring networks, Solid Waste Landfill mean concentrations were higher, suggesting more vapor-phase volatile organic compound transport to groundwater at those locations. Simulated volatile organic compound soil vapor and groundwater datasets created to test the methods developed for this study show that the method can be successful in source differentiation when significantly different datasets are compared. This paper will describe a method of testing a conceptual model for vapor-phase contaminant transport to groundwater and for differentiating site sources of contaminants comprising a mixed-constituent soil vapor plume. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗
DOE OSTI2024

Influence of alloy solidification path on melt pool behavior in additive manufacturing

Numerical models used to study transport phenomena in laser-powder bed fusion processes often rely on assumptions and simplifications to reduce their computational expense. One common simplification is in the description of latent heat evolution during the solid-liquid phase change (i.e., the solidification pathway), justified by the fact that the mushy zone thickness is similar to the numerical grid spacing used for continuum transport models. The lack of resolution of transport phenomena in the mushy zone motivates the use of computationally convenient solidification paths such as linear or sigmoidal relationships over pathways derived from fundamental solidification theory such as equilibrium or Scheil models. In the present work, an uncertainty quantification (UQ) framework is used to analyze the influence of solidification pathway selection on the solidification dynamics and melt pool geometries in laser based additive manufacturing (AM) of IN625. Results show the solidification pathway has a quantifiable influence on the cooling rate at the liquidus isotherm, mushy zone thickness, and solidification time. Due to similarities in the latent heat evolution at the beginning of solidification, the equilibrium and Scheil models predict similar cooling rates near the liquidus isotherm, however the wider freezing range of Scheil leads to a wider mushy zone compared to equilibrium. The non-physical latent heat release profiles of sigmoidal and linear paths lead to significant overpredictions of cooling rates at the liquidus isotherm compared to equilibrium and Scheil. Finally, these results indicate that careful consideration should be given to the choice of solidification pathway to ensure reliable model predictions.

36 MATERIALS SCIENCE↗