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NASA NTRS1997

Transport Phenomena During Equiaxed Solidification of Alloys

Recent progress in modeling of transport phenomena during dendritic alloy solidification is reviewed. Starting from the basic theorems of volume averaging, a general multiphase modeling framework is outlined. This framework allows for the incorporation of a variety of microscale phenomena in the macroscopic transport equations. For the case of diffusion dominated solidification, a simplified set of model equations is examined in detail and validated through comparisons with numerous experimental data for both columnar and equiaxed dendritic growth. This provides a critical assessment of the various model assumptions. Models that include melt flow and solid phase transport are also discussed, although their validation is still at an early stage. Several numerical results are presented that illustrate some of the profound effects of convective transport on the final compositional and structural characteristics of a solidified part. Important issues that deserve continuing attention are identified.

Beckermann, C.↗

NASA NTRS2002

High-Fidelity Generalization Method of Cells for Inelastic Periodic Multiphase Materials

An extension of a recently-developed linear thermoelastic theory for multiphase periodic materials is presented which admits inelastic behavior of the constituent phases. The extended theory is capable of accurately estimating both the effective inelastic response of a periodic multiphase composite and the local stress and strain fields in the individual phases. The model is presently limited to materials characterized by constituent phases that are continuous in one direction, but arbitrarily distributed within the repeating unit cell which characterizes the material's periodic microstructure. The model's analytical framework is based on the homogenization technique for periodic media, but the method of solution for the local displacement and stress fields borrows concepts previously employed by the authors in constructing the higher-order theory for functionally graded materials, in contrast with the standard finite-element solution method typically used in conjunction with the homogenization technique. The present approach produces a closed-form macroscopic constitutive equation for a periodic multiphase material valid for both uniaxial and multiaxial loading. The model's predictive accuracy in generating both the effective inelastic stress-strain response and the local stress said inelastic strain fields is demonstrated by comparison with the results of an analytical inelastic solution for the axisymmetric and axial shear response of a unidirectional composite based on the concentric cylinder model, and with finite-element results for transverse loading.

Aboudi, Jacob↗

NASA NTRS2011

Electromagnetic Scattering by a Morphologically Complex Object: Fundamental Concepts and Common Misconceptions

Following Keller(Proc Symp Appl Math 1962;13:227:46), we classify all theoretical treatments of electromagnetic scattering by a morphologically complex object into first- principle (or "honest" in Keller s terminology) and phenomenological (or "dishonest") categories. This helps us identify, analyze, and dispel several profound misconceptions widespread in the discipline of electromagnetic scattering by solitary particles and discrete random media. Our goal is not to call for a complete renunciation of phenomenological approaches but rather to encourage a critical and careful evaluation of their actual origin, virtues, and limitations. In other words, we do not intend to deter creative thinking in terms of phenomenological short-cuts, but we do want to raise awareness when we stray (often for practical reasons) from the fundamentals. The main results and conclusions are illustrated by numerically-exact data based on direct numerical solutions of the macroscopic Maxwell equations.

Mischenko, Michael I.↗

NASA NTRS2011

Numerically Exact Computer Simulations of Light Scattering by Densely Packed, Random Particulate Media

Direct computer simulations of electromagnetic scattering by discrete random media have become an active area of research. In this progress review, we summarize and analyze our main results obtained by means of numerically exact computer solutions of the macroscopic Maxwell equations. We consider finite scattering volumes with size parameters in the range, composed of varying numbers of randomly distributed particles with different refractive indices. The main objective of our analysis is to examine whether all backscattering effects predicted by the low-density theory of coherent backscattering (CB) also take place in the case of densely packed media. Based on our extensive numerical data we arrive at the following conclusions: (i) all backscattering effects predicted by the asymptotic theory of CB can also take place in the case of densely packed media; (ii) in the case of very large particle packing density, scattering characteristics of discrete random media can exhibit behavior not predicted by the low-density theories of CB and radiative transfer; (iii) increasing the absorptivity of the constituent particles can either enhance or suppress typical manifestations of CB depending on the particle packing density and the real part of the refractive index. Our numerical data strongly suggest that spectacular backscattering effects identified in laboratory experiments and observed for a class of high-albedo Solar System objects are caused by CB.

Dlugach, Janna M.↗

NASA NTRS2014

State-to-State Internal Energy Relaxation Following the Quantum-Kinetic Model in DSMC

A new model for chemical reactions, the Quantum-Kinetic (Q-K) model of Bird, has recently been introduced that does not depend on macroscopic rate equations or values of local flow field data. Subsequently, the Q-K model has been extended to include reactions involving charged species and electronic energy level transitions. Although this is a phenomenological model, it has been shown to accurately reproduce both equilibrium and non-equilibrium reaction rates. The usefulness of this model becomes clear as local flow conditions either exceed the conditions used to build previous models or when they depart from an equilibrium distribution. Presently, the applicability of the relaxation technique is investigated for the vibrational internal energy mode. The Forced Harmonic Oscillator (FHO) theory for vibrational energy level transitions is combined with the Q-K energy level transition model to accurately reproduce energy level transitions at a reduced computational cost compared to the older FHO models.

Liechty, Derek S.↗

NASA NTRS2013

Coherent Backscattering and Opposition Effects Observed in Some Atmosphereless Bodies of the Solar System

The results of photometric and polarimetric observations carried out for some bright atmosphere-less bodies of the Solar system near the zero phase angle reveal the simultaneous existence of two spectacular optical phenomena, the so-called brightness and polarization opposition effects. In a number of studies, these phenomena were explained by the influence of coherent backscattering. However, in general, the interference concept of coherent backscattering can be used only in the case where the particles are in the far-field zones of each other, i.e., when the scattering medium is rather rarefied. Because of this, it is important to prove rigorously and to demonstrate that the coherent backscattering effect may also exist in densely packed scattering media like regolith surface layers of celestial bodies. From the results of the computer modeling performed with the use of numerically exact solutions of the macroscopic Maxwell equations for discrete random media with different packing densities of particles, we studied the origin and evolution of all the opposition phenomena predicted by the coherent backscattering theory for low-packing-density media. It has been shown that the predictions of this theory remain valid for rather high-packing densities of particles that are typical, in particular, of regolith surfaces of the Solar system bodies. The results allow us to conclude that both opposition effects observed simultaneously in some high-albedo atmosphereless bodies of the Solar system are caused precisely by coherent backscattering of solar light in the regolith layers composed of microscopic particles.

Regolith↗

NASA NTRS2016

Applicability of the Effective-Medium Approximation to Heterogeneous Aerosol Particles.

The effective-medium approximation (EMA) is based on the assumption that a heterogeneous particle can have a homogeneous counterpart possessing similar scattering and absorption properties. We analyze the numerical accuracy of the EMA by comparing superposition T-matrix computations for spherical aerosol particles filled with numerous randomly distributed small inclusions and Lorenz-Mie computations based on the Maxwell-Garnett mixing rule. We verify numerically that the EMA can indeed be realized for inclusion size parameters smaller than a threshold value. The threshold size parameter depends on the refractive-index contrast between the host and inclusion materials and quite often does not exceed several tenths, especially in calculations of the scattering matrix and the absorption cross section. As the inclusion size parameter approaches the threshold value, the scattering-matrix errors of the EMA start to grow with increasing the host size parameter and or the number of inclusions. We confirm, in particular, the existence of the effective-medium regime in the important case of dust aerosols with hematite or air-bubble inclusions, but then the large refractive-index contrast necessitates inclusion size parameters of the order of a few tenths. Irrespective of the highly restricted conditions of applicability of the EMA, our results provide further evidence that the effective-medium regime must be a direct corollary of the macroscopic Maxwell equations under specific assumptions.

aerosols↗

NASA NTRS2015

Comprehensive Thematic T-Matrix Reference Database: A 2014-2015 Update

The T-matrix method is one of the most versatile and efficient direct computer solvers of the macroscopic Maxwell equations and is widely used for the computation of electromagnetic scattering by single and composite particles, discrete random media, and particles in the vicinity of an interface separating two half-spaces with different refractive indices. This paper is the seventh update to the comprehensive thematic database of peer-reviewed T-matrix publications initiated by us in 2004 and includes relevant publications that have appeared since 2013. It also lists a number of earlier publications overlooked previously.

electromagnetic scattering↗

NASA NTRS2019

Comprehensive Thematic T-Matrix Reference Database: a 2017-2019 Update

Since its inception in the mid-1960s, the T-matrix method has been one of the most versatile and efficient numerically exact computer solvers of the time-harmonic macroscopic Maxwell equations. It has been widely used for the computation of electromagnetic scattering by single and composite particles, discrete random media, periodic structures (including metamaterials), and particles in the vicinity of plane or rough interfaces separating media with different refractive indices. This compilation is the ninth update to the comprehensive thematic database of peer-reviewed T-matrix publications initiated in 2004 and lists relevant publications that have appeared since 2017. It also includes a few earlier publications that have so far been overlooked.

Michael I Mishchenko↗

NASA NTRS1983

Macroscopic Lagrangian description of warm plasmas. I Formulation of the Lagrangian

A macroscopic Lagrangian is derived which includes a pressure tensor, heat conduction, and elastic collisions. Its Euler-Lagrange equations are shown to be the Maxwell equations and the macroscopic force law. The corresponding Hamiltonian is derived, and Hamilton's canonical equations are also demonstrated to lead to the Maxwell equations and the macroscopic force law. The treatment is facilitated by working in a mixture of Eulerian coordinates (for the fields) and Lagrangian coordinates (for the particle motions), and the introduction of a macroscopic potential expressed in terms of the plasma thermal energy and the energy losses by heat conduction.

Peng, Y.-K. M.↗

DOE OSTI2024

Parallel expansion of a fuel pellet plasmoid

The problem of the assimilation of a cryogenic fuel pellet injected into a hot plasma is considered. Due to the transparency to ambient particles of the plasmoid, the localised region of high-density plasma created by ionisation of the ablated pellet material, electrons reach a ‘quasiequilibrium’ (QE) state which is characterised by a steady-state on the fastest collisional time scale. The simplified electron kinetic equation of the QE state is solved. Taking a velocity moment of the higher-order electron kinetic equation, which is valid on the expansion time scale, permits a fluid closure, yielding an evolution equation for the macroscopic parameters describing the QE distribution function. In contrast to the Braginskii equations, the closure does not require that electrons have a short mean free path compared with the size of density perturbations, and permits an anisotropic and highly non-Maxwellian distribution function. As the QE distribution function accounts for both trapped and passing electrons, the self-consistent electric potential that causes the expansion can be properly described, in contrast to earlier models of pellet plasmoid expansion with an unbounded potential. The plasmoid expansion is simulated using both a Vlasov model and a cold-fluid model for the ions. During the expansion plasmoid ions and electrons obtain nearly equal amounts of energy; as hot ambient electrons provide this energy in the form of collisional heating of plasmoid electrons, the expansion of a pellet plasmoid is expected to be a potent mechanism for the transfer of energy from electrons to ions on a time scale shorter than that of ion–electron thermalisation.

Physics↗

NASA NTRS2005

Shock Waves in a Bose-Einstein Condensate

A paper presents a theoretical study of shock waves in a trapped Bose-Einstein condensate (BEC). The mathematical model of the BEC in this study is a nonlinear Schroedinger equation (NLSE) in which (1) the role of the wave function of a single particle in the traditional Schroedinger equation is played by a space- and time-dependent complex order parameter (x,t) proportional to the square root of the density of atoms and (2) the atoms engage in a repulsive interaction characterized by a potential proportional to | (x,t)|2. Equations that describe macroscopic perturbations of the BEC at zero temperature are derived from the NLSE and simplifying assumptions are made, leading to equations for the propagation of sound waves and the transformation of sound waves into shock waves. Equations for the speeds of shock waves and the relationships between jumps of velocity and density across shock fronts are derived. Similarities and differences between this theory and the classical theory of sound waves and shocks in ordinary gases are noted. The present theory is illustrated by solving the equations for the example of a shock wave propagating in a cigar-shaped BEC.

Kulikov, Igor↗

NASA NTRS1990

A new continuum model for suspensions of gyrotactic micro-organisms

A new continuum model is formulated for dilute suspensions of swimming micro-organisms with asymmetric mass distributions. Account is taken of randomness in a cell's swimming direction, p, by postulating that the probability density function for p satisfies a Fokker-Planck equation analogous to that obtained for colloid suspensions in the presence of rotational Brownian motion. The deterministic torques on a cell, viscous and gravitational, are balanced by diffusion, represented by an isotropic rotary diffusivity Dr, which is unknown a priori, but presumably reflects stochastic influences on the cell's internal workings. When the Fokker-Planck equation is solved, macroscopic quantities such as the average cell velocity Vc, the particle diffusivity tensor D and the effective stress tensor sigma can be computed; Vc and D are required in the cell conservation equation, and sigma in the momentum equation. The Fokker-Planck equation contains two dimensionless parameters, lambda and epsilon; lambda is the ratio of the rotary diffusion time Dr-1 to the torque relaxation time B (balancing gravitational and viscous torques), while epsilon is a scale for the local vorticity or strain rate made dimensionless with B. In this paper we solve the Fokker-Planck equation exactly for epsilon = 0 (lambda arbitrary) and also obtain the first-order solution for small epsilon. Using experimental data on Vc and D obtained with the swimming alga, Chlamydomonas nivalis, in the absence of bulk flow, the epsilon = 0 results can be used to estimate the value of lambda for that species (lambda approximately 2.2; Dr approximately 0.13 s-1). The continuum model for small epsilon is then used to reanalyse the instability of a uniform suspension, previously investigated by Pedley, Hill & Kessler (1988). The only qualitatively different result is that there no longer seem to be circumstances in which disturbances with a non-zero vertical wavenumber are more unstable than purely horizontal disturbances. On the way, it is demonstrated that the only significant contribution to sigma, other than the basic Newtonian stress, is that derived from the stresslets associated with the cells' intrinsic swimming motions.

NASA Discipline Number 28-20↗

DOE OSTI2024

Learning Constitutive Relations From Soil Moisture Data via Physically Constrained Neural Networks

Abstract The constitutive relations of the Richardson‐Richards equation encode the macroscopic properties of soil water retention and conductivity. These soil hydraulic functions are commonly represented by models with a handful of parameters. The limited degrees of freedom of such soil hydraulic models constrain our ability to extract soil hydraulic properties from soil moisture data via inverse modeling. We present a new free‐form approach to learning the constitutive relations using physically constrained neural networks. We implemented the inverse modeling framework in a differentiable modeling framework, JAX, to ensure scalability and extensibility. For efficient gradient computations, we implemented implicit differentiation through a nonlinear solver for the Richardson‐Richards equation. We tested the framework against synthetic noisy data and demonstrated its robustness against varying magnitudes of noise and degrees of freedom of the neural networks. We applied the framework to soil moisture data from an upward infiltration experiment and demonstrated that the neural network‐based approach was better fitted to the experimental data than a parametric model and that the framework can learn the constitutive relations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1982

Perfect fluids in the Einstein-Cartan theory

It is pointed out that whereas most of the discussion of the Einstein-Cartan (EC) theory involves the relationship between gravitation and elementary particles, it is possible that the theory, if correct, may be important in certain extreme astrophysical and cosmological problems. The latter would include something like the collapse of a spinning star or an early universe with spin. A set of equations that describe a macroscopic perfect fluid in the EC theory is derived and examined. The equations are derived starting from the fundamental variational principle for a perfect fluid in general relativity. A brief review of the study by Ray (1972) is included, and the results for the EC theory are presented.

Ray, J. R.↗

NASA NTRS1977

Geometrization of the Dirac theory of the electron

Using the concept of parallel displacement of a half vector, the Dirac equations are generally written in invariant form. The energy tensor is formed and both the macroscopic and quantum mechanic equations of motion are set up. The former have the usual form: divergence of the energy tensor equals the Lorentz force and the latter are essentially identical with those of the geodesic line.

Fock, V.↗

NASA NTRS2013

Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

Modeling↗

NASA NTRS1988

Stress-and-Strain Analysis Of Hot Metal/Fiber Composites

Macroscopic mechanical properties derived from micromechanics. Stress-and-strain equations developed to express microscopic and macroscopic mechanical properties of metals reinforced by unidirectional fibers, over range of temperatures. New equations reduce computational load by providing approximate, closed-form expressions for microscopic and pseudohomogeneous anisotropic properties of single ply reinforced by unidirectional fibers. Typical application is calculation of residual stress in newly manufactured article.

Hopkins, Dale A.↗