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At least 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamical chemistry: non-equilibrium effective actions for reactive fluids

Abstract We present two approaches for describing chemical reactions taking place in fluid phase. The first method mirrors the usual derivation of the hydrodynamic equations of motion by relating conserved—or to account for chemical reactions, non-conserved—currents to local-equilibrium parameters. The second method involves a higher-brow approach in which we attack the same problem from the perspective of non-equilibrium effective field theory (EFT). Non-equilibrium effective actions are defined using the in–in formalism on the Schwinger–Keldysh contour and are therefore capable of describing thermal fluctuations and dissipation as well as quantum effects. The non-equilibrium EFT approach is especially powerful as all terms in the action are fully specified by the symmetries of the system; in particular the second law of thermodynamics does not need to be included by hand, but is instead derived from the action itself. We find that the equations of motion generated by both methods agree, but the EFT approach yields certain advantages. To demonstrate some of these advantages we construct a quadratic action that is valid to very small distance scales—much smaller than the scales at which ordinary hydrodynamic theories break down. Such an action captures the full thermodynamic and quantum behavior of reactions and diffusion at quadratic order. Finally, taking the low-frequency and low-wavenumber limit, we reproduce the linearized version of the well-known reaction–diffusion equations as a final coherence check.

Mechanics↗
NASA NTRS1992

Conservative-variable average states for equilibrium gas multi-dimensional fluxes

Modern split component evaluations of the flux vector Jacobians are thoroughly analyzed for equilibrium-gas average-state determinations. It is shown that all such derivations satisfy a fundamental eigenvalue consistency theorem. A conservative-variable average state is then developed for arbitrary equilibrium-gas equations of state and curvilinear-coordinate fluxes. Original expressions for eigenvalues, sound speed, Mach number, and eigenvectors are then determined for a general average Jacobian, and it is shown that the average eigenvalues, Mach number, and eigenvectors may not coincide with their classical pointwise counterparts. A general equilibrium-gas equation of state is then discussed for conservative-variable computational fluid dynamics (CFD) Euler formulations. The associated derivations lead to unique compatibility relations that constrain the pressure Jacobian derivatives. Thereafter, alternative forms for the pressure variation and average sound speed are developed in terms of two average pressure Jacobian derivatives. Significantly, no additional degree of freedom exists in the determination of these two average partial derivatives of pressure. Therefore, they are simultaneously computed exactly without any auxiliary relation, hence without any geometric solution projection or arbitrary scale factors. Several alternative formulations are then compared and key differences highlighted with emphasis on the determination of the pressure variation and average sound speed. The relevant underlying assumptions are identified, including some subtle approximations that are inherently employed in published average-state procedures. Finally, a representative test case is discussed for which an intrinsically exact average state is determined. This exact state is then compared with the predictions of recent methods, and their inherent approximations are appropriately quantified.

Iannelli, G. S.↗
NASA NTRS2009

Ballistic Limit Equation for Single Wall Titanium

Hypervelocity impact tests and hydrocode simulations were used to determine the ballistic limit equation (BLE) for perforation of a titanium wall, as a function of wall thickness. Two titanium alloys were considered, and separate BLEs were derived for each. Tested wall thicknesses ranged from 0.5mm to 2.0mm. The single-wall damage equation of Cour-Palais [ref. 1] was used to analyze the Ti wall's shielding effectiveness. It was concluded that the Cour-Palais single-wall equation produced a non-conservative prediction of the ballistic limit for the Ti shield. The inaccurate prediction was not a particularly surprising result; the Cour-Palais single-wall BLE contains shield material properties as parameters, but it was formulated only from tests of different aluminum alloys. Single-wall Ti shield tests were run (thicknesses of 2.0 mm, 1.5 mm, 1.0 mm, and 0.5 mm) on Ti 15-3-3-3 material custom cut from rod stock. Hypervelocity impact (HVI) tests were used to establish the failure threshold empirically, using the additional constraint that the damage scales with impact energy, as was indicated by hydrocode simulations. The criterion for shield failure was defined as no detached spall from the shield back surface during HVI. Based on the test results, which confirmed an approximately energy-dependent shield effectiveness, the Cour-Palais equation was modified.

Ratliff, J. M.↗
NASA NTRS1984

Nonlinear computation of wing-body-vertical tail-wake flows at low supersonic speeds

A numerical method based on the conservation form of the full potential equation has been applied to the problem of three-dimensional supersonic flows with embedded subsonic regions. The governing equation is cast in a nonorthogonal coordinate system, and the theory of characteristics is used to accurately monitor the type-dependent flow field. A conservative switching scheme is employed to transition from the supersonic marching procedure to a subsonic relaxation algorithm and vice versa. The newly developed computer program can handle arbitrary geometries with fuselage, wing, vertical tail and wake components at combined angle of attack and sideslip. Results are presented for a low supersonic Mach numbers flow over the Shuttle orbiter (including the OMS pods and vertical tail), and for flows over a realistic fighter type configuration. Comparisons with experimental data are shown to be in good agreement for various cases.

Szema, K.-Y.↗
NASA NTRS1985

Nonlinear potential analysis techniques for supersonic aerodynamic design

A numerical method based on the conservation form of the full potential equation has been applied to the problem of three-dimensional supersonic flows with embedded subsonic regions. The governing equation is cast in a nonorthogonal coordinate system, and the theory of characteristics is used to accurately monitor the type-dependent flow field. A conservative switching scheme is employed to transition from the supersonic marching procedure to a subsonic relaxation algorithm and vice versa. The newly developed computer program can handle arbitrary geometries with fuselage, canard, wing, flow through nacelle, vertical tail and wake components at combined angles of attack and sideslip. Results are obtained for a variety of configurations that include a Langley advanced fighter concept with fuselage centerline nacelle, Rockwell's Advanced Tactical Fighter (ATF) with wing mounted nacelles, and the Shuttle Orbiter configuration. Comparisons with available experiments were good.

Shankar, V.↗
NASA NTRS1998

Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes

Chapter 1 briefly reviews several related topics associated with the symmetrization of systems of conservation laws and quasi-conservation laws: (1) Basic Entropy Symmetrization Theory; (2) Symmetrization and eigenvector scaling; (3) Symmetrization of the compressible Navier-Stokes equations; and (4) Symmetrization of the quasi-conservative form of the magnetohydrodynamic (MHD) equations. Chapter 2 describes one of the best known tools employed in the study of differential equations, the maximum principle: any function f(x) which satisfies the inequality f(double prime)>0 on the interval [a,b] attains its maximum value at one of the endpoints on the interval. Chapter three examines the upwind finite volume schemes for scalar and system conservation laws. The basic tasks in the upwind finite volume approach have already been presented: reconstruction, flux evaluation, and evolution. By far, the most difficult task in this process is the reconstruction step.

Bart, Timothy J.↗
NASA NTRS1979

Tensile and flexural strength of non-graphitic superhybrid composites: Predictions and comparisons

Equations are presented and described which can be used to predict bounds on the tensile and flexural strengths of nongraphitic superhybrid (NGSH) composites. These equations are derived by taking into account the measured stress-strain behavior, the lamination residual stresses and the sequence of events leading to fracture. The required input for using these equations includes constituents, properties (elastic and strength), NGSH elastic properties, cure temperature, and ply stress influence coefficients. Results predicted by these equations are in reasonably good agreement with measured data for strength and for the apparent knees in the nonlinear stress-strain curve. The lower bound values are conservative compared to measured data. These equations are relatively simple and are suitable for use in the preliminary design and initial sizing of structural components made from NGSH composites.

Chamis, C. C.↗
NASA NTRS1979

Tensile and flexural strength of nongraphitic superhybrid composites - Predictions and comparisons

Equations are presented and described which can be used to predict bounds on the tensile and flexural strengths of nongraphitic superhybrid (NGSH) composites. These equations are derived by taking into account the measured stress-strain behavior, the lamination residual stresses and the sequence of events leading to fracture. The required input for using these equations includes constituent composites, elastic and strength properties, NGSH elastic properties, cure temperature, and ply stress influence coefficients. Results predicted by these equations are in reasonably good agreement with measured data for strength and for the apparent 'knees' in the nonlinear stress-strain curve. The lower bound values are conservative compared to measured data. These equations are relatively simple and should be suitable for use in the preliminary design and initial sizing of structural components made from NGSH composites.

Chamis, C. C.↗
DOE OSTI2020

Using Differential Forms to Find Symmetries in the Noh Problem for an Ideal Gas in a Spherical System

The Euler equations describe inviscid, compressible gas flow and are derived using the laws of conservation of mass, momentum, and energy. From these equations a common test problem, the Noh problem, can be solved for invariant solutions in planar, cylindrical, and spherical geometries. Using Lie group analysis methods, we will solve the Noh Problem for an ideal gas in a spherical system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1975

A generalized hyperbolic marching method for chemically reacting 3-D supersonic flow using a splitting technique

A generalized hyperbolic marching method employing a nonorthogonal coordinate system and using a split differencing scheme for calculating steady supersonic flow over aerodynamic shapes is presented. It is a second-order-accurate mixed explicit-implicit procedure that solves the inviscid adiabatic and nondiffusive equations for chemically reacting flow in integral conservation-law form. The relationship between the integral and differential forms of the equations are examined and the relative merits of each discussed. The method admits initial Cauchy data situated on any arbitrary surface and integrates them forward along a general curvilinear coordinate, distorting and deforming the surface as it advances. The chemical kinetics term is split from the convective terms which are themselves dimensionally split, thereby freeing the fluid operators from the restricted step-size imposed by the chemical reactions and increasing the computational efficiency. The accuracy of this splitting technique is analyzed, a sufficient stability criterion is established, and comparisons are made with another method.

Rizzi, A. W.↗
DOE OSTI2021

Incorporating point defect generation due to jog formation into the vector density-based continuum dislocation dynamics approach

During plastic deformation of crystalline materials, point defects such as vacancies and interstitials are generated by jogs on moving dislocations. A detailed model for jog formation and transport during plastic deformation was developed within the vector density-based continuum dislocation dynamics framework. Here as a part of this model, point defect generation associated with jog transport was formulated in terms of the volume change due to the non-conservative motion of jogs. Balance equations for the vacancies and interstitials including their rate of generation due to jog transport were also formulated. A two-way coupling between point defects and dislocation dynamics was then completed by including the stress contributed by the eigen-strain of point defects. A jog drag stress was further introduced into the mobility law of dislocations to account for the energy dissipation during point defects generation. A number of test problems and a fully coupled simulation of dislocation dynamics and point defects generation and diffusion were performed. The results show that there is an asymmetry of vacancy and interstitial generation due to the different formation energies of the two types of defects. The results also show that a higher hardening rate and a higher dislocation density are obtained when the point defect generation mechanism is coupled to dislocation dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microbially mediated mechanisms underlie soil carbon accrual by conservation agriculture under decade-long warming

Increasing soil organic carbon (SOC) in croplands by switching from conventional to conservation management may be hampered by stimulated microbial decomposition under warming. Here, we test the interactive effects of agricultural management and warming on SOC persistence and underlying microbial mechanisms in a decade-long controlled experiment on a wheat-maize cropping system. Warming increased SOC content and accelerated fungal community temporal turnover under conservation agriculture (no tillage, chopped crop residue), but not under conventional agriculture (annual tillage, crop residue removed). Microbial carbon use efficiency (CUE) and growth increased linearly over time, with stronger positive warming effects after 5 years under conservation agriculture. According to structural equation models, these increases arose from greater carbon inputs from the crops, which indirectly controlled microbial CUE via changes in fungal communities. As a result, fungal necromass increased from 28 to 53%, emerging as the strongest predictor of SOC content. Collectively, our results demonstrate how management and climatic factors can interact to alter microbial community composition, physiology and functions and, in turn, SOC formation and accrual in croplands.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Dynamics of nonequilibrium magnons in gapped Heisenberg antiferromagnets

Nonequilibrium dynamics in spin systems is a topic currently under intense investigation as it provides fundamental insights into thermalization, universality, and exotic transport phenomena. While most of the studies have been focused on ideal closed quantum many-body systems such as ultracold atomic quantum gases and one-dimensional spin chains, driven-dissipative Bose gases in steady states away from equilibrium in classical systems also lead to intriguing nonequilibrium physics. Here, in this work, we theoretically investigate out-of-equilibrium dynamics of magnons in a gapped Heisenberg quantum antiferromagnet based on Boltzmann transport theory. We show that, by treating scattering terms beyond the relaxation-time approximation in the Boltzmann transport equation, energy and particle number conservation mandate that nonequilibrium magnons cannot relax to equilibrium, but decay to other nonequilibrium stationary states. The only decay channel for these stationary states back to equilibrium is through the nonconserving interactions (i.e., changing particle number and/or energy within the magnon system) such as boundary or magnon-phonon scattering. At low temperatures, these nonconserving interactions are much slower processes than intrinsic magnon-magnon interaction in a gapped spin system. Using magnon-phonon interaction as a quintessential type of nonconserving interaction, we then propose that nonequilibrium steady states of magnons can be maintained and tailored using periodic driving at frequencies faster than relaxation due to phonon interactions. These findings reveal a class of classical material systems that are suitable platforms to study nonequilibrium statistical physics and macroscopic phenomena such as classical Bose-Einstein condensation of quasiparticles and magnon supercurrents that are relevant for spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

TDycores-Project/TDycore

The terrestrial dycores will solve tightly coupled conservation of water and energy equations. While the land dycore will simulate processes for a three-dimensional subsurface coupled to a one-dimensional plant’s vascular system, the river dycore will simulate two-dimensional processes in the river.

Bisht, Gautam↗
DOE OSTI2023

CTH v.13.0

SAND2023-06647O The latest version of the CTH suite of computer codes is a flexible software system designed to treat a wide range of shock wave propagation and material motion phenomena in 1-D, 2-D, or 3-D. CTH has models suitable for most conditions encountered in shock physics including material strength, fracture, distended materials, high explosives, and a variety of boundary conditions. Finite-volume analogs of the Lagrangian equations of momentum and energy conservation are employed with continuous rezoning to construct Eulerian differencing. Adaptive mesh refinement is available for maximizing resolution in regions of interest. Full Lagrangian numerical methods are available for mechanical or structural response.

Schumacher, Shane↗
DOE OSTI2021

Fluid Dynamics in Curvilinear Coordinates without Fictitious Forces

The use of curvilinear coordinates is sometimes indicated by the inherent geometry of a fluid dynamics problem, but this introduces fictitious forces into the momentum equations that spoil the strict conservative form. If one is willing to work in three dimensions, these fictitious forces can be eliminated by solving for rectangular (Cartesian) momentum components on a curvilinear mesh. A thoroughly geometric approach to fluid dynamics on spacetime demonstrates this transparently, while also giving insight into a greater unity of the relativistic and nonrelativistic cases than is usually appreciated.

pseudo-forces↗
NASA NTRS1973

Acoustic propagation in ducts with varying cross sections

The method of multiple scales is used to derive the equations that describe the spatial and temporal variation of the amplitudes and phases of a wave packet propagating in slowly varying hard-walled or lined ducts. The analysis is carried out for rectangular as well as circular ducts. These equations are statements of the conservation of energy. For large admittance or high-frequency modes, an approximate expression is obtained for the attenuation. This expression shows that all possible acoustic modes are attenuating. The results also show that decreasing the cross sectional area can lead to elimination of some of the acoustic modes.

Nayfeh, A. H.↗