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At least 19 records

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DOE OSTI2024

A physics-informed deep learning description of Knudsen layer reactivity reduction

A physics-informed neural network (PINN) is used to evaluate the fast ion distribution in the hot spot of an inertial confinement fusion target. The use of tailored input and output layers to the neural network is shown to enable a PINN to learn the parametric solution to the Vlasov–Fokker–Planck equation in the absence of any synthetic or experimental data. As an explicit demonstration of the approach, the specific problem of Knudsen layer fusion yield reduction is treated. Here, the predictions from the Vlasov–Fokker–Planck PINN are used to provide a non-perturbative solution of the fast ion tail in the vicinity of the hot spot, thus allowing the spatial profile of the fusion reactivity to be evaluated for a range of collisionalities and hot spot conditions. Excellent agreement is found between the predictions of the Vlasov–Fokker–Planck PINN and the results from traditional numerical solvers with respect to both the energy and spatial distribution of fast ions and the fusion reactivity profile, demonstrating that the Vlasov–Fokker–Planck PINN provides an accurate and efficient means of determining the impact of Knudsen layer yield reduction across a broad range of plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

A Physics-Informed Deep Learning Description of Knudsen Layer Reactivity Reduction

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1987

Investigation of hypersonic rarefied flow on a spherical nose of the AOTV

The Navier-Stokes (NS) equations were integrated numerically for investigating the flow characteristics on the forepart of the spherical nose of a space vehicle such as the AOTV or AFE by a modified Accelerated Successive Replacement (ASR) scheme under hypersonic rarefied conditions. Technical feasibility of the mathematical approach was demonstrated by computing the flowfield on a spherical nose under conditions that the AFE encounters at times t = 15 and 20 seconds after its reentry into the atmosphere. Local similar solutions for the merged layer flow along the stagnation line of the sphere were developed. These are correct to the same degree of accuracy as the NS equations. These solutions provided stagnation line boundary conditions for the domain of integration on the spherical noise. Also, a parametric study of the stagnation line solution was made with a view to understand the flow characteristics in tunnels with different ambient fluids. Analytical expressions for surface slip temperature, jump conditions, and concentration level in the presence of the real gas effects at the top of the Knudsen layer were derived and used to calculate the stagnation line flowfield with nonequilibrium dissociation and ionization. A number of graphics were drawn to illustrate the basic physics of the flowfields. The present analysis can be extended to include real gas effects and to bodies of arbitrary shapes. It can further provide boundary conditions for integrating the NS equations in the near wake region.

Jain, Amolak C.↗

NASA NTRS1991

Generalized hydrodynamic transport in lattice-gas automata

The generalized hydrodynamics of two-dimensional lattice-gas automata is solved analytically in the linearized Boltzmann approximation. The dependence of the transport coefficients (kinematic viscosity, bulk viscosity, and sound speed) upon wave number k is obtained analytically. Anisotropy of these coefficients due to the lattice symmetry is studied for the entire range of wave number, k. Boundary effects due to a finite mean free path (Knudsen layer) are analyzed, and accurate comparisons are made with lattice-gas simulations.

Luo, Li-Shi↗

NASA NTRS1978

One-dimensional outgassing problem

A predominantly numerical study, using the direct-simulation Monte Carlo method, of the flow from outgassing surfaces with plane, cylindrical, or spherical geometry is presented. The numerical results for the plane flow case are compared with existing theoretical and experimental results and also with a new formulation of the jump conditions across the Knudsen layer between the surface and the continuum outflow. This outflow is sonic for the free expansion case but subsonic in the presence of back-pressure effects. The self-scattered return flux is 19% of the outgassed flux in the sonic outflow case and increases at lower Mach numbers. Thermal accomodation and reflection of this return flux produces an outgassing cooling effect. The cylindrical and spherical geometries introduce an additional Knudsen number defined by the ratio of the mean free path in the effusing gas to the radius. The plane flow results apply when this Knudsen number is less than 0.001 and, when it is of order unity or above, the return flux is inversely proportional to it.

Tran Cong, T.↗

NASA NTRS1974

Kinetic approach to the evaporation and condensation problem

In the paper, the Boltzmann equation governing the evaporation and condensation phenomena is solved by the Monte Carlo method. Based on the kinetic theory of gas the role of the non-equilibrium Knudsen layer and the growth of the hydrodynamic region outside the layer as time proceeds are simulated. Results show two possible types of transient developments in the vapor phase. The effects of the molecular absorption coefficient of the phase surface are examined. Except in the case of very strong evaporation the kinematic effects of binary collisions among vapor molecules on the mass flux rate are not serious. The limiting case of the quasi-steady evaporation and the maximal value of the evaporation rate are obtained.

Murakami, M.↗

NASA NTRS1989

Rarefied gas dynamics

The current state of those aspects of rarefied gas dynamics research that appear to be most important to research planned over the next decade is evaluated. These aspects encompass assessments of computational rarefied-gas dynamics (CRGD) that will allows their use as surrogates for experiments, the development of hybris-flowfield computational techniques matching continuum computations with particle computations, and the validation of CRGD through the results of experimental studies of Knudsen layers in simple flows. The design of surfaces for the achievement of stable, low-momentum and thermal accommodation coefficients will be a major priority, together with theorization and experimentation on evaporation and condensation effects close to surfaces.

Muntz, E. P.↗

NASA NTRSDate not supplied

Interfacial thermodynamics of cryogenic fluids: The effect on non-condensable gas on fluid storage

Propellant tanks that contain cryogenic fluids (CFs) in low gravity conditions are usually pressurized with non-condensable (NC) gases for fast extraction. Unfortunately, the presence of NC gases causes CFs to exhibit higher boil-offs compared to pure CF systems. For optimal utilization of the cryogenic fuels, these higher boil-off rates must be minimized. Our goal is to quantify the effects NC gases have on the evaporation and condensation dynamics of CFs to develop strategies that mitigate the higher boil-offs. The hypothesis is that the NC gas accumulates around the CF’s liquid vapor interface in the Knudsen layer, creating a kinetic barrier for both evaporation and condensation. Testing this hypothesis with experimental methods is difficult due to the transient nature of the Knudsen layer, which is only a few nanometers thick. Furthermore, experimental capabilities are limited in low gravity conditions and extremely expensive. Accordingly, we approach this problem from a theoretical perspective. In this study, we employ molecular dynamics (MD) simulations to probe the interfacial mechanisms that affect CF’s evaporation and condensation at varying concentrations of NC gases. Specifically, we use nitrogen (N2) and oxygen (O2) as our CFs and neon (Ne) as our NC gas. Using MD simulations, we show that Ne accumulates at N2 liquid vapor interface across a wide range of Ne concentrations, thereby impeding mass transport of N2. Our simulations allow for direct computation of the molar flux as well as the mass accommodation coefficient (MAC) which can then be used as input parameters to continuum fluid dynamics (CFD) models for optimal storage tank design.

Michael Robert DeLyser↗

NASA NTRS2018

Significance of DSMC Computed Aerothermal Environments in the Rarefied Regime for Atmospheric Entry Material Response

During Mars atmospheric entry, the Mars Science Laboratory (MSL) was protected by a 4.5 meters diameter ablative heatshield assembled in 113 tiles. The heatshield was made of NASA's flagship ablative material, the Phenolic Impregnated Carbon Ablator (PICA). Prior work compared the traditional one-dimensional and three-dimensional material response models at different locations in the heatshield. It was observed that the flow was basically one-dimensional in the nose and flank regions, but three-dimensional flow effects were observed in the outer flank. The objective of this work is to study the effects of the aerothermal environment on the material response. We extend prior work by computing aerothermal environments using the direct simulation Monte Carlo (DSMC) code SPARTA and the CFD code Data Parallel Line Relaxation (DPLR). SPARTA is used to compute environment in the rarefied regime prior to 48.4s of entry where the Knudsen number is such that the Navier-Stokes equations can be inaccurate. Similarly to previous work, the DPLR software is used to compute the hypersonic environment for laminar then turbulent boundary layer assumptions from 48.4 s up to 100 s after Entry Interface (EI) along the MSL 08-TPS-02/01a trajectory. We observe that extending the aerothermal environments to times prior to 48.4 s modifies the thermal response of the heat shield at the surface and in-depth; however the effects on the recession are minimal. Additionally, using the assumption of a turbulent boundary layer versus a laminar one leads to higher surface and in-depth temperatures, larger recession, and a displacement of the peak heating and peak recession location.

Aerothermal↗

DOE OSTI2024

Gas Permeation and Separation Characteristics of Microporous TpHz COF Membranes Synthesized by Substrate-Assisted Interfacial Polymerization

Microporous two-dimensional covalent organic framework (2D COF) membranes offer promise for gas separation applications, but their gas transport mechanism remains unclear. In this study, a TpHz 2D COF membrane supported on a macroporous nylon substrate is prepared by substrate-assisted interfacial polymerization under mild conditions. The formation of a continuous and dense thin (~300 nm thick) TpHz layer is confirmed by scanning electron microscopy and Fourier transform infrared spectroscopy. Characterization by X-ray diffraction, grazing incidence wide-angle X-ray scattering, and N 2 porosimetry qualitatively reveals the microstructures of the supported TpHz membranes, i.e., they comprise partially oriented 2D COF lamellar crystallites with moderate crystallinity in an eclipsed (AA) stacking geometry, centering the effective membrane pore size distribution at ~1.1 nm. Further, single gas permeation data show that the transport of common molecular gases, including H 2 , He, CH 4 , N 2 , and CO 2 , through the synthesized TpHz membranes follows the Knudsen transport mechanism, where single gas permeance decreases with an increasing molecular weight and permeation temperature. Binary gas separation results show that in the equimolar CO 2 /N 2 mixture, the presence of the CO 2 surface flow slightly hinders the N 2 flow at room temperature due to the reduced membrane channel size by the adsorbed CO 2 gas layer on TpHz’s pore wall. In contrast, permeation of the equimolar CH 4 /N 2 binary mixture does not exhibit a discernible surface flow of both gases due to their much lower gas uptake on TpHz, and their transport mechanism follows Knudsen-like behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2018

Prediction of Thermal Protection System Material Permeability and Hydraulic Tortuosity Factor Using Direct Simulation Monte Carlo

Carbon preforms used in Thermal Protection System (TPS) materials are 80 to 90% porous, allowing for boundary layer and pyrolysis gases to flow through the porous regions. The bulk material properties such as permeability and hydraulic tortuosity factor affect the transport of the boundary layer gases. The use of Direct Simulation Monte Carlo along with the Klinkenberg permeability formulation allows us to compute the continuum permeability and Knudsen correction factor for flow in the transition regime. In this work, we have computed the permeability for two types of carbon preforms, namely, Morgan Felt and FiberForm, and assessed the effect of orientation on the permeability. Since both the materials are anisotropic, the permeability was found to depend on orientation, wherein, the materials are more permeable in the in-plane orientation than the through-thickness orientation. The through-thickness orientation was also more tortuous compared to the in-plane material orientation. Compared to Morgan Felt, FiberForm is less permeable, in both, through thickness and in-plane directions.

Jambunathan, Revathi↗

NASA NTRSDate not supplied

The Effect of Drag Model on Heatshield Recession due to Particle Impacts for Martian Spacecraft

A spacecraft entering the Martian atmosphere during a dust storm may experience recession to the heatshield due to dust particle impacts. Aerodynamic drag is the primary force that determines the trajectory of the dust particles through the shock layer. This paper examines the effect of particle drag model on the heatshield recession. Three particle drag models are assessed including two that are intended to be applicable over a wide range of particle flow conditions. Particle trajectories are computed in conditions measured during the 2007 major global dust storm. It was found that accounting for Knudsen number and compressibility effects made a large difference in the estimated particle impact velocity. The two drag models that were valid for transitional, compressible particle flow environments predicted only slightly-different amounts of heatshield recession due to dust particle impacts. A brief description of the effects of non-spherical particles on drag coefficients is provided.

Heatshield↗

NASA NTRSDate not supplied

The Effect of Drag Model on Heatshield Recession due to Particle Impacts for Martian Spacecraft

Heatshield↗

DOE OSTI2025

Kinetic study of strong shock waves in fully ionized plasmas

Fully kinetic simulations are used in this work to study strong shock waves in fully ionized plasmas for charge state 𝑍 ranging from 1 to 18. The ion stress tensor amplitude agrees well with classical predictions within the compression layer; however, its spatial structure is noticeably shaped by nonlocal transport effects. The electron stress tensor remains significantly smaller than that of the ions for all values of 𝑍 considered. Ion overheating in the compression layer is observed to scale approximately linearly with 𝑍. Both findings diverge from hydrodynamic models based on classical electron stress formulations. In conclusion, the electrons exhibit strong nonlocal behavior in the compression layer, with Knudsen numbers approaching unity for 𝑍 ≥ 6.

Physics - Plasma physics↗

NASA NTRS1992

Crystallization, sublimation, and gas release in the interior of a porous comet nucleus

A numerical code is developed for evolutionary calculations of the thermal structure and composition of a porous comet nucleus made of water ice, in amorphous or crystalline form, other volatiles, dust, and gases trapped in amorphous ice. Bulk evaporation, crystallization, gas release, and free (Knudsen) flow of gases through the pores are taken into account. The numerical scheme yields exact conservation laws for mass and energy. The code is used to study the effect of bulk evaporation of ice in the interior of a comet nucleus during crystallization. It is found that evaporation controls the temperature distribution; the vapor prevents cooling of the crystallized layer of ice, by recondensation and release of latent heat. Thus high temperatures are maintained below the surface of the nucleus and down to depths of tens or hundreds of meters, even at large heliocentric distances, as long as crystallization goes on. Gas trapped in the ice and released during the phase transition flows both toward the interior and toward the surface and out of the nucleus. The progress of crystallization is largely determined by the contribution of gas fluxes to heat transfer.

Prialnik, Dina↗

DOE OSTI2026

ThermoPI—an Online Tool to Calculate Heat Transfer Through Foam Insulation

Thermal insulation materials with ultra-low effective thermal conductivity are crucial for a multitude of applications. Over the years, a significant amount of experimental work has been dedicated to creating new insulation materials with low thermal conductivity. Similarly, substantial efforts have been made to enhance the theoretical understanding of thermal transport mechanisms in thermal insulation materials and to push the boundaries of lower thermal conductivity. However, ample room remains for enhancing the thermal resistivity of closed-cell foam insulations. To aid in the development of ultra-low effective thermal conductivity foam insulations, Oak Ridge National Laboratory has introduced a unique online tool, ThermoPI. This tool calculates not only the effective thermal conductivity but also the thermal conductivity components for porous materials, including gases, solids, and radiative, based on the materials’ structural information (e.g., porosity, pore size, gas species, pressure, solid species, pore geometry, and temperature).This tool collected and improved the existing theoretical models for thermal insulation materials’ gas, solid, and radiative thermal conductivity. These improved models have been validated with experimental data. Effective medium theory and sound velocity softening effects are considered for solid thermal conductivity. The built-in solid materials include polystyrene, polyurethane, polyethylene, and silica. Users are allowed to input new solid materials that are not built inside the tool. For gas thermal conductivity, the subcontinuum Knudsen effect is considered. In addition to several built-in gases, users can input new gases. For solid and radiative thermal conductivity calculations, several models are available to select, and the tool can determine the best model to choose based on the materials that users input. Users are also allowed to change selections manually. In addition, the tool can also calculate the effect of interfacial resistance on the overall thermal conductivity of layered materials. This work will elaborate on the tool and discuss how it can guide the development of new insulation products.

Shrestha, Som [ORNL] (ORCID:0000000183993797)↗

NASA NTRS2004

Comparing the Thermodynamic Behaviour of Al(1)+ZrO2(s) to Al(1)+Al2O3(s)

In an effort to better determine the thermodynamic properties of Al(g) and Al2O(g). the vapor in equilibrium with Al(l)+ZrO2(s) was compared to the vapor in equilibrium with Al(l)+Al2O3(s) over temperature range 1197-to-1509K. The comparison was made directly by Knudsen effusion-cell mass spectrometry with an instrument configured for a multiple effusion-cell vapor source (multi-cell KEMS). Second law enthalpies of vaporization of Al(g) and Al2O(g) together with activity measurements show that Al(l)+ZrO2(s) is thermodynamically equivalent to Al(l)+Al2O3(s), indicating Al(l) remained pure and Al2O3(s) was present in the ZrO2-cell. Subsequent observation of the Al(l)/ZrO2 and vapor/ZrO2 interfaces revealed a thin Al2O3-layer had formed, separating the ZrO2-cell from Al(l) and Al(g)+Al2O(g), effectively transforming it into an Al2O3 effusion-cell. This behavior agrees with recent observations made for Beta-NiAl(Pt) alloys measured in ZrO2 effusion-cell.

Copland, Evan↗

NASA NTRS2017

Tortuosity Computations of Porous Materials using the Direct Simulation Monte Carlo

Low-density carbon fiber preforms, used as thermal protection systems (TPS) materials for planetary entry systems, have permeable, highly porous microstructures consisting of interlaced fibers. Internal gas transport in TPS is important in modeling the penetration of hot boundary-layer gases and the in-depth transport of pyrolysis and ablation products. The gas effective diffusion coefficient of a porous material must be known before the gas transport can be modeled in material response solvers; however, there are very little available data for rigid fibrous insulators used in heritage TPS.The tortuosity factor, which reflects the efficiency of the percolation paths, can be computed from the effective diffusion coefficient of a gas inside a porous material and is based on the micro-structure of the material. It is well known, that the tortuosity factor is a strong function of the Knudsen number. Due to the small characteristic scales of porous media used in TPS applications (typical pore size of the order of 50 micron), the transport of gases can occur in the rarefied and transitional regimes, at Knudsen numbers above 1. A proper way to model the gas dynamics at these conditions consists in solving the Boltzmann equation using particle-based methods that account for movement and collisions of atoms and molecules.In this work we adopt, for the first time, the Direct Simulation Monte Carlo (DSMC) method to compute the tortuosity factor of fibrous media in the rarefied regime. To enable realistic simulations of the actual transport of gases in the porous medium, digitized computational grids are obtained from X-ray micro-tomography imaging of real TPS materials. The SPARTA DSMC solver is used for simulations. Effective diffusion coefficients and tortuosity factors are obtained by computing the mean-square displacement of diffusing particles.We first apply the method to compute the tortuosity factors as a function of the Knudsen number for computationally designed materials such as random cylindrical fibers and packed bed of spheres with prescribed porosity. Results are compared to literature values obtained using random walk methods in the rarefied and transitional regime and a finite-volume method for the continuum regime. We then compute tortuosity factors for a real carbon fiber material with a transverse isotropic structure (FiberForm), quantifying differences between through-thickness and in-plain tortuosities at various Knudsen regimes.

Tortuosity↗