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At least 1,297 records · Page 72

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DOE OSTI2024

Charge Conservation beyond Uniformity: Spatially Inhomogeneous Electromagnetic Response in Periodic Solids

Nonlinear electromagnetic response functions have reemerged as a crucial tool for studying quantum materials, due to recently appreciated connections between optical response functions, quantum geometry, and band topology. Most attention has been paid to responses to spatially uniform electric fields, relevant to low-energy optical experiments in conventional solid state materials. However, magnetic and magnetoelectric phenomena are naturally connected by responses to spatially varying electric fields due to Maxwell’s equations. Furthermore, in the emerging field of moiré materials, characteristic lattice scales are much longer, allowing spatial variation of optical electric fields to potentially have a measurable effect in experiments. In order to address these issues, we develop a formalism for computing linear and nonlinear responses to spatially inhomogeneous electromagnetic fields. Starting with the continuity equation, we derive an expression for the second-quantized current operator that is manifestly conserved and model independent. Crucially, our formalism makes no assumptions on the form of the microscopic Hamiltonian and so is applicable to model Hamiltonians derived from tight-binding or calculations. We then develop a diagrammatic Kubo formalism for computing the wave vector dependence of linear and nonlinear conductivities, using Ward identities to fix the value of the diamagnetic current order by order in the vector potential. We apply our formula to compute the magnitude of the Kerr effect at oblique incidence for a model of a moiré-Chern insulator and demonstrate the experimental relevance of spatially inhomogeneous fields in these systems. We further show how our formalism allows us to compute the (orbital) magnetic multipole moments and magnetic susceptibilities in insulators. Turning to nonlinear response, we use our formalism to compute the second-order transverse response to spatially varying transverse electric fields in our moiré-Chern insulator model, with an eye toward the next generation of experiments in these systems. Published by the American Physical Society 2024

Physics↗

NASA NTRS2013

Entropy Stable Spectral Collocation Schemes for the Navier-Stokes Equations: Discontinuous Interfaces

Nonlinear entropy stability and a summation-by-parts framework are used to derive provably stable, polynomial-based spectral collocation methods of arbitrary order. The new methods are closely related to discontinuous Galerkin spectral collocation methods commonly known as DGFEM, but exhibit a more general entropy stability property. Although the new schemes are applicable to a broad class of linear and nonlinear conservation laws, emphasis herein is placed on the entropy stability of the compressible Navier-Stokes equations.

Carpenter, Mark H.↗

NASA NTRS1985

Computing with high-resolution upwind schemes for hyperbolic equations

Computational aspects of modern high-resolution upwind finite-difference schemes for hyperbolic systems of conservation laws are examined. An operational unification is demonstrated for constructing a wide class of flux-difference-split and flux-split schemes based on the design principles underlying total variation diminishing (TVD) schemes. Consideration is also given to TVD scheme design by preprocessing, the extension of preprocessing and postprocessing approaches to general control volumes, the removal of expansion shocks and 'glitches', relaxation methods for implicit TVD schemes, and a new family of high-accuracy TVD schemes.

Chakravarthy, S. R.↗

DOE OSTI2024

Degradation of performance in ICF implosions due to Rayleigh–Taylor instabilities: A Hamiltonian perspective

The Rayleigh–Taylor instability (RTI) is an ubiquitous phenomenon that occurs in inertial-confinement-fusion (ICF) implosions and is recognized as an important limiting factor of ICF performance. To analytically understand the RTI dynamics and its impact on ICF capsule implosions, we develop a first-principle variational theory that describes an imploding spherical shell undergoing RTI. The model is based on a thin-shell approximation and includes the dynamical coupling between the imploding spherical shell and an adiabatically compressed fluid within its interior. Using a quasilinear analysis, we study the degradation trends of key ICF performance metrics (e.g., stagnation pressure, residual kinetic energy, and areal density) as functions of initial RTI parameters (e.g., the initial amplitude and Legendre mode), as well as the 1D implosion characteristics (e.g., the convergence ratio). We compare analytical results from the theory against nonlinear results obtained by numerically integrating the governing equations of this reduced model. Our findings emphasize the need to incorporate polar flows in the calculation of residual kinetic energy and demonstrate that higher convergence ratios in ICF implosions lead to significantly greater degradation of key performance metrics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

An Energy Consistent Discretization of the Nonhydrostatic Equations in Primitive Variables

We derive a formulation of the nonhydrostatic equations in spherical geometry with a Lorenz staggered vertical discretization. The combination conserves a discrete energy in exact time integration when coupled with a mimetic horizontal discretization. The formulation is a version of Dubos and Tort (2014, https://doi.org/10.1175/MWR-D-14-00069.1) rewritten in terms of primitive variables. It is valid for terrain following mass or height coordinates and for both Eulerian or vertically Lagrangian discretizations. The discretization relies on an extension to Simmons and Burridge (1981, https://doi.org/10.1175/1520-0493(1981)109<0758:AEAAMC>2.0.CO;2) vertical differencing, which we show obeys a discrete derivative product rule. This product rule allows us to simplify the treatment of the vertical transport terms. Energy conservation is obtained via a term-by-term balance in the kinetic, internal, and potential energy budgets, ensuring an energy-consistent discretization up to time truncation error with no spurious sources of energy. We demonstrate convergence with respect to time truncation error in a spectral element code with a horizontal explicit vertically implicit implicit-explicit time stepping algorithm.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Hydrogenous Content in Residues from Aqueous Chloride Pu and Am Recovery Operations

Byproduct residues generated from Aqueous Chloride Pu and Am recovery operations at Los Alamos National Laboratory have been investigated and determined to contain high weight % chloride salts and minimal hydrogen content. Hydrogen content is the result of limited surface area adsorption of ambient moisture. The assumption used in technical analysis NCS-TECH-19-029 to model potentially hydrogenous items as mixtures of polyethylene is shown to be overly conservative. Our results and literature precedent indicate that water adsorption of 1-3 % by weight is expected for hydroxide cakes and Pu oxides, and a conservative bounding assumption for these materials is 5% water by weight. LOH results for a dissolution heel stored long term showed 6.25% weight loss, which was conservatively assumed to be water. A conservative bounding assumption for dissolution heels is 8 wt.% water content. This equates to 0.55 % hydrogen by weight for hydroxide cakes, and 0.88% hydrogen by weight for dissolution heels. The bulk composition of dissolution heels reflects the composition of the original byproduct feed material, chloride salts of potassium, sodium, magnesium and calcium. The bulk composition of calcined hydroxide precipitation residues is composed of potassium chloride as a result of potassium hydroxide neutralization of hydrochloric acid solutions. Metal hydroxides generated during the hydroxide precipitation process are decomposed under the conditions of calcination to metal oxide forms.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

NASA NTRS1972

Some physical implications of recent solar wind measurements

The physical implications of the existence at about 1 AU of a quiet solar wind particle flux about 90 percent larger than that suggested in the past is investigated within the framework of the two-fluid solar wind model equations. During the spherically symmetric radial expansion of the quiet solar wind, the particle flux is conserved quantity. It is found that a pure collisional two-fluid model provides good particle density and streaming velocity at 1 AU, but predicts too large an electron temperature and too small a proton temperature. When noncollisional contributions to the transport coefficients are incorporated in the model equations, a complete satisfactory agreement with the available observations is obtained. Upper limits to the effective coupling between electrons and protons, as well as to the effective proton thermal conductivity, and both upper and lower limits to the effective electron thermal conductivity in the quiet solar wind, required to provide agreement with observations, are given.

Cuperman, S.↗

NASA NTRS1972

The BMW analytic aerodynamic drag method for the Vinti satellite theory

In order to retain separability in the Vinti theory of earth satellite motion when a non conservative force such as air drag is considered, a set of variational equations for the orbital elements are introduced, and expressed as functions of the transverse, radial, and normal components of the nonconservative forces acting on the system. In particular, the atmospheric density profile is written as a fitted exponential function of the eccentric anomaly, which reproduces tabular values of static model atmospheric densities at all altitudes to within ninety-eight percent and simultaneously reduces the variational equations to indefinite integrals with closed form evaluations, whose limits are in terms of the eccentric anomaly. The values of the limits for any arbitrary time interval are obtained from the Vinti program. Results of the BMW (Bonavito, Mistretta, Watson) theory for the case of the intense air drag satellites San Marco-2 and Air Force Cannonball are given. These results indicate that the satellite ephemerides produced by the BMW theory in conjunction with the Vinti program are of very high accuracy. In addition, since the program is entirely analytic, several months of ephemerides can be obtained within a few seconds of computer time.

Watson, J. S.↗

NASA NTRS1985

A convergent series expansion for hyperbolic systems of conservation laws

The discontinuities piecewise analytic initial value problem for a wide class of conservation laws is considered which includes the full three-dimensional Euler equations. The initial interaction at an arbitrary curved surface is resolved in time by a convergent series. Among other features the solution exhibits shock, contact, and expansion waves as well as sound waves propagating on characteristic surfaces. The expansion waves correspond to he one-dimensional rarefactions but have a more complicated structure. The sound waves are generated in place of zero strength shocks, and they are caused by mismatches in derivatives.

Harabetian, E.↗

NASA NTRS1985

AOTV bluff body flow - Relaxation algorithm

Preliminary investigations have led to the consideration of two classes of energy efficient aeroassisted orbital transfer vehicle (AOTV) concepts, with high and low L/D. The AOTV represent reentry space vehicles which are to fly hypersonically in the continuum upper reaches of the atmosphere. Problems arise in connection with convective and nonequilibrium radiative heating. As the possibilities for obtaining needed information by experimentation are limited, reliance must be placed on computational techniques to simulate testing of design concepts. A new relaxation algorithm for the compressible Navier-Stokes equations has been developed in the context of recent work with a conservative flux difference eigenvector split implicit upwind scheme CSCM (conservative supracharacteristics method). Attention is given to the CSCM implicit method, and early results for axisymmetric bluff body flow including complete forebody and base flow for a free flight range model drag brake AOTV.

Lombard, C. K.↗

NASA NTRS1986

On recent advances and future research directions for computational fluid dynamics

This paper highlights some recent accomplishments regarding CFD numerical algorithm constructions for generation of discrete approximate solutions to classes of Reynolds-averaged Navier-Stokes equations. Following an overview of turbulent closure modeling, and development of appropriate conservation law systems, a Taylor weak-statement semi-discrete approximate solution algorithm is developed. Various forms for completion to the final linear algebra statement are cited, as are a range of candidate numerical linear algebra solution procedures. This development sequence emphasizes the key building blocks of a CFD RNS algorithm, including solution trial and test spaces, integration procedure and added numerical stability mechanisms. A range of numerical results are discussed focusing on key topics guiding future research directions.

Baker, A. J.↗

NASA NTRS1990

Numerical Methods For Chemically Reacting Flows

Issues related to numerical stability, accuracy, and resolution discussed. Technical memorandum presents issues in numerical solution of hyperbolic conservation laws containing "stiff" (relatively large and rapidly changing) source terms. Such equations often used to represent chemically reacting flows. Usually solved by finite-difference numerical methods. Source terms generally necessitate use of small time and/or space steps to obtain sufficient resolution, especially at discontinuities, where incorrect mathematical modeling results in unphysical solutions.

Leveque, R. J.↗

NASA NTRS1991

The effect of bleed configuration on shock/boundary layer interactions

The flow field characteristics are simulated numerically in an oblique shock wave/laminar boundary layer interaction for three different bleed configurations. The numerical solution for the flow field is obtained for the strong conservation-law form of the two-dimensional compressible Navier-Stokes equations using an implicit scheme. The computations model the flow in the interaction region and inside the bleed slot for an impinging oblique shock of sufficient strength to cause boundary layer separation on a flat plate boundary layer. The computed results are presented for a normal bleed slot at three different locations, upstream, across and downstream of the shock impingement point. The detailed flow characteristics in the interaction zone and inside the bleed slot are compared for the three cases. The resulting surface pressure and shear stress distributions are also compared for the three bleed cases and for the shock wave boundary layer interaction without bleed.

Hamed, A.↗

NASA NTRS1992

A subspace iteration for eigenvector derivatives

An iterative procedure for calculating eigenvector derivatives has been developed based on the subspace iteration concept. The basic formulation is derived directly from the first variation of the resulting equations of subspace iteration for solving eigenvalue problems. Since the basic formulation conserves the convergence properties of the original subspace iteration for eigen-problems, an overrelaxation scheme similar to Bathe's approach is employed to accelerate the subspace iteration process for calculating eigenvector derivatives.

Ting, T.↗

NASA NTRS1991

Modeling of InP metalorganic chemical vapor deposition

The growth of InP by metalorganic chemical vapor deposition (MOCVD) in a horizontal reactor is being modeled with a commercially available computational fluid dynamics modeling code. The mathematical treatment of the MOCVD process has four primary areas of concern: 1) transport phenomena, 2) chemistry, 3) boundary conditions, and 4) numerical solution methods. The transport processes involved in CVD are described by conservation of total mass, momentum, energy, and atomic species. Momentum conservation is described by a generalized form of the Navier-Stokes equation for a Newtonian fluid and laminar flow. The effect of Soret diffusion on the transport of particular chemical species and on the predicted deposition rate is examined. Both gas-phase and surface chemical reactions are employed in the model. Boundary conditions are specified at the inlet and walls of the reactor for temperature, fluid flow and chemical species. The coupled set of equations described above is solved by a finite difference method over a nonuniform rectilinear grid in both two and three dimensions. The results of the 2-D computational model is presented for gravity levels of zero- and one-g. The predicted growth rates at one-g are compared to measured growth rates on fused silica substrates.

Black, Linda R.↗

NASA NTRS1996

Three Dimensional Flow and Pressure Patterns in a Hydrostatic Journal Bearing

The flow in a hydrostatic journal bearing (HJB) is described by a mathematical model that uses the three dimensional non-orthogonal form of the Navier-Stokes equations. Using the u, v, w, and p, as primary variables, a conservative formulation, finite volume multi-block method is applied through a collocated, body fitted grid. The HJB has four shallow pockets with a depth/length ratio of 0.067. This paper represents a natural extension to the two and three dimensional studies undertaken prior to this project.

Braun, M. Jack↗

NASA NTRS2000

A Unified Wall Boundary Treatment for Viscous and Inviscid Flows in the CE/SE Method

In the setting of the conservation element-solution element (CE/SE) method, a new and unified wall boundary treatment for the Navier-Stokes and Euler Equations is proposed. In essence, the shear stress exerted on the fluid by a wall is modeled as a source term as a part of local spacetime flux conservation in the vicinity of a wall boundary. When the fluid is inviscid, the source term vanishes and the boundary condition reduces to the usual 'slip' condition. On the other hand, when the fluid is viscous, the source-term effect is consistent with the traditional no-slip condition. Numerical results show that the new treatment is robust, efficient, and accurate for viscous and inviscid flows.

Chang, Sin-Chung↗

NASA NTRS1994

Steady Secondary Momentum and Enthalpy Streaming in the Pulse Tube Refrigerator

Our study investigates the steady secondary streaming that occurs in the pulse tube refrigerator through application of the conservation laws and support by flow visualization experiments. A series expansion of the mass, momentum and energy conservation laws for an axisymmetric system yields a set of linear differential equations. The series solution is expanded in the small parameter epsilon = 1/Str where Str is the Strouhal number. The O(1) basic flow problem is solved for the case of a compressible ideal gas oscillating within a cylindrical tube. The phase and amplitude of the boundary conditions on axial velocity are treated as independent parameters. The basic solution for the gas domain is solved for the case of temperature and heat flux coupling to the tube wall. The temperature coupled solution shows how the Fourier number of the tube wall affects the gas temperature, phase angle, and time-averaged enthalpy flow. The basic solution is also examined for the time-averaged Reynolds stresses which are shown to be the driving force that produces steady secondary momentum streaming. Calculated solutions to the steady momentum streaming are shown to be in qualitative agreement with flow visualization experiments.

Lee, J. M.↗