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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.

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At least 181 records · Page 10

Approximation of Two-Dimensional Viscoelastic Flows of General Form

We consider the initial-boundary value problem for approximations of the system of integro-differential equations generalizing the equations of motion for viscoelastic fluids. We prove the existence and convergence theorems and give some examples of non-Newtonian fluids described by the model under consideration.

97 MATHEMATICS AND COMPUTING↗

Interaction of Harmonic Longitudinal Shear Waves with V-Shaped Inclusions

We solve the problem of determination of the stressed state in the vicinity of a tunnel rigid inclusion whose cross section consists of two segments originating out from the same point. The inclusion is placed in an infinite elastic medium with propagating plane harmonic longitudinal shear waves. The problem is reduced to the solution of a system of two singular integral equations with fixed singularities. For the approximate solution of this system, we apply a numerical method that takes into account the true asymptotics of the unknown functions and is based on the use of special quadrature formulas for the evaluation of singular integrals.

97 MATHEMATICS AND COMPUTING↗

Construction and Investigation of the Third-Order Approximation to the Solution of the Heat-Conduction Equation for Thin Shallow Shells by Using Legendre Polynomials in the Case of Stationary Heat Exchange

By using the N th order approximation of temperature function and its first derivative by Legendre polynomials, we construct the solution of problem of heat conduction for a thin-walled shallow isotropic shell and deduce the system of resolving equations for the N th approximation. For the first and third approximations, we solve this problem for the case of concentrated heat sources. In the third approximation, we also construct the plots of the dependences of temperature on the distance to the heat source and on the curvature of the shell under the conditions of symmetric or asymmetric stationary heat exchange.

42 ENGINEERING↗

Thermodynamics and luminosities of rainbow black holes

Doubly special relativity (DSR) is an effective model for encoding quantum gravity in flat spacetime. As result of the nonlinearity of the Lorentz transformation, the energy-momentum dispersion relation is modified. One simple way to import DSR to curved spacetime is ''Gravity's rainbow'', where the spacetime background felt by a test particle would depend on its energy. Focusing on the ''Amelino-Camelia dispersion relation'' which is E{sup 2} = m{sup 2}+p{sup 2}[1−η(E/m{sub p}){sup n}] with n > 0, we investigate the thermodynamical properties of a Schwarzschild black hole and a static uncharged black string for all possible values of η and n in the framework of rainbow gravity. It shows that there are non-vanishing minimum masses for these two black holes in the cases with η < 0 and n ≥ 2. Considering effects of rainbow gravity on both the Hawking temperature and radius of the event horizon, we use the geometric optics approximation to compute luminosities of a 2D black hole, a Schwarzschild one and a static uncharged black string. It is found that the luminosities can be significantly suppressed or boosted depending on the values of η and n.

79 ASTRONOMY AND ASTROPHYSICS↗

Ensemble approximate control variate estimators: Applications to multi-fidelity importance sampling.

The recent growth in multifidelity uncertainty quantification has given rise to a large set of variance reduction techniques that leverage information from model ensembles to provide variance reduction for estimates of the statistics of a high-fidelity model. In this paper we provide two contributions: (1) we utilize an ensemble estimator to account for uncertainties in the optimal weights of approximate control variate (ACV) approaches and derive lower bounds on the number of samples required to guarantee variance reduction; and (2) we extend an existing multifidelity importance sampling (MFIS) scheme to leverage control variates. Our approach directly addresses a limitation of many multifidelity sampling strategies that require the usage of pilot samples to estimate covariances. As such we make significant progress towards both increasing the practicality of approximate control variates—for instance, by accounting for the effect of pilot samples—and using multifidelity approaches more effectively for estimating low-probability events. The numerical results indicate our hybrid MFIS-ACV estimator achieves up to 50% improvement in variance reduction over the existing state-of-the-art MFIS estimator, which had already shown an outstanding convergence rate compared to the Monte Carlo method, on several problems of computational mechanics.

97 MATHEMATICS AND COMPUTING↗

An Algebraic Multilevel Preconditioner with Low-Rank Corrections for Sparse Symmetric Matrices

In this work, we describe a multilevel preconditioning technique for solving sparse symmetric linear systems of equations. This “Multilevel Schur Low-Rank” (MSLR) preconditioner first builds a tree structure $\mathcal{T}$ based on a hierarchical decomposition of the matrix and then computes an approximate inverse of the original matrix level by level. Unlike classical direct solvers, the construction of the MSLR preconditioner follows a top-down traversal of $\mathcal{T}$ and exploits a low-rank property that is satisfied by the difference between the inverses of the local Schur complements and specific blocks of the original matrix. A few steps of the generalized Lanczos tridiagonalization procedure are applied to capture most of this difference. Numerical results are reported to illustrate the efficiency and robustness of the MSLR preconditioner with both two- and three-dimensional discretized PDE problems and with publicly available test problems.

97 MATHEMATICS AND COMPUTING↗

Computational and analytical comparison of flux discretizations for the semiconductor device equations beyond Boltzmann statistics

We compare three thermodynamically consistent numerical fluxes known in the literature, appearing in a Voronoï finite volume discretization of the van Roosbroeck system with general charge carrier statistics. Our discussion includes an extension of the Scharfetter–Gummel scheme to non-Boltzmann (e.g. Fermi–Dirac) statistics. It is based on the analytical solution of a two-point boundary value problem obtained by projecting the continuous differential equation onto the interval between neighboring collocation points. Hence, it serves as a reference flux. The exact solution of the boundary value problem can be approximated by computationally cheaper fluxes which modify certain physical quantities. One alternative scheme averages the nonlinear diffusion (caused by the non-Boltzmann nature of the problem), another one modifies the effective density of states. To study the differences between these three schemes, we analyze the Taylor expansions, derive an error estimate, visualize the flux error and show how the schemes perform for a carefully designed p-i-n benchmark simulation. We present strong evidence that the flux discretization based on averaging the nonlinear diffusion has an edge over the scheme based on modifying the effective density of states.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Coupled Experiment and Theory to Explore the Limits of Material Strength at High Strain Rates

Critical components such as detonators in Sandia's stockpile are heterogeneous materials that rely on accurate constitutive models for each material used in the component. However, experiments to study materials at high pressure are challenging and time consumptive, therefore we turn to modeling tools to refine and predict outcomes beforehand. Efficient models balance absolute physical accuracy against approximate but computationally lightweight constitutive inputs. By using a relatively small number of high fidelity simulations and experiments we have be able to broaden the predictive power of the shock response in metals and polymers. We have tailored the analysis of these simulations to determine a size dependent material strength, which can be used as constitutive model inputs for continuum hydrodynamics codes. For the shocked Cu, MD simulations show a yield strength from RMI jet growth of approximately 450MPa that depends on the details of the free surface geometry. This value is close to the yield strength of 500MPa parameterized for an elastic-perfectly-plastic strength model from experiments at the Dynamic Compression Sector at Argonne National Lab. The same analysis applied to MD simulations of PMMA jetting resulted in no clear determination of yield strength, implying a more complex RMI process in polymeric materials. Atomistic simulations of both materials are shown to be valuable training metrics and show the need for explicit strain rate dependent strength for future improvements in strength models used in continuum codes.

36 MATERIALS SCIENCE↗

Approximation of functions and their conjugates in variable Lebesgue spaces

One-sided Steklov means are used to introduce moduli of continuity of natural order in variable L{sub 2π}{sup p(⋅)}-spaces. A direct theorem of Jackson- Stechkin type and an inverse theorem of Salem-Stechkin type are given. Similar results are obtained for the conjugate functions. Bibliography: 24 titles. (paper)

97 MATHEMATICS AND COMPUTING↗

A new modified BFGS method for unconstrained optimization problems

Using chain rule, we propose a modified secant equation to get a more accurate approximation of the second curvature of the objective function. Then, based on this modified secant equation we present a new BFGS method for solving unconstrained optimization problems. The proposed method makes use of both gradient and function values, and utilizes information from two most recent steps, while the usual secant relation uses only the latest step information. Under appropriate conditions, we show that the proposed method is globally convergent without convexity assumption on the objective function. Comparative numerical results show computational efficiency of the proposed method in the sense of the Dolan–Moré performance profiles.

97 MATHEMATICS AND COMPUTING↗

A fourth-order phase-field fracture model: Formulation and numerical solution using a continuous/discontinuous Galerkin method

Modeling crack initiation and propagation in brittle materials is of great importance to be able to predict sudden loss of load-carrying capacity and prevent catastrophic failure under severe dynamic loading conditions. Second-order phase-field fracture models have gained wide adoption given their ability to capture the formation of complex fracture patterns, e.g. via crack merging and branching, and their suitability for implementation within the context of the conventional finite element method. Higher-order phase-field models have also been proposed to increase the regularity of the exact solution and thus increase the spatial convergence rate of its numerical approximation. However, they require special numerical techniques to enforce the necessary continuity of the phase field solution. In this paper, we derive a fourth-order phase-field model of fracture in two independent ways; namely, from Hamilton’s principle and from a higher-order micromechanics-based approach. The latter approach is novel, and provides a physical interpretation of the higher-order terms in the model. In addition, we propose a continuous/discontinuous Galerkin (C/DG) method for use in computing the approximate phase-field solution. This method employs Lagrange polynomial shape functions to guarantee -continuity of the solution at inter-element boundaries, and enforces the required regularity with the aid of additional variational and interior penalty terms in the weak form. Finally, the phase-field equation is coupled with the momentum balance equation to model dynamic fracture problems in hyper-elastic materials. Two benchmark problems are presented to compare the numerical behavior of the C/DG method with mixed finite element methods.

42 ENGINEERING↗

Approximate inverse-based block preconditioners in poroelasticity

We focus on the fully implicit solution of the linear systems arising from a three-field mixed finite element approximation of Biot’s poroleasticity equations. The objective is to develop algebraic block preconditioners for the efficient solution of such systems by Krylov subspace methods. In this work, we investigate the use of approximate inverse-based techniques to decouple the native system of equations and obtain explicit sparse approximations of the Schur complements related to the physics-based partitioning of the unknowns by field type. Here, the proposed methods are tested in various numerical experiments including real-world applications dealing with petroleum and geotechnical engineering.

54 ENVIRONMENTAL SCIENCES↗

The stabilized mixed finite element scheme of elasticity problem

In this paper, we consider a new mixed finite element scheme of the elasticity problem in two and three dimensions, and the new scheme can impose Neumann boundary condition directly. A new stabilized method is proposed for this scheme, in which the equal order linear element pair is employed to approximate the stress and displacement, and an abstract operator is used to characterize the lack of the inf-sup condition. The new stabilized method is locking free. Numerical results show the excellent stability and accuracy of the new method.

97 MATHEMATICS AND COMPUTING↗

Analytical Modeling of Triple-Metal Hetero-Dielectric DG SON TFET

In this paper, a 2-D analytical model of triple-metal hetero-dielectric DG TFET is presented by combining the concepts of triple material gate engineering and hetero-dielectric engineering. Three metals with different work functions are used as both front- and back gate electrodes to modulate the barrier at source/channel and channel/drain interface. In addition to this, front gate dielectric consists of high-K HfO{sub 2} at source end and low-K SiO{sub 2} at drain side, whereas back gate dielectric is replaced by air to further improve the ON current of the device. Surface potential and electric field of the proposed device are formulated solving 2-D Poisson’s equation and Young’s approximation. Based on this electric field expression, tunneling current is obtained by using Kane’s model. Several device parameters are varied to examine the behavior of the proposed device. The analytical model is validated with TCAD simulation results for proving the accuracy of our proposed model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

On a stochastic approach to a code performance estimation

The main goal of an efficient profiling of software is to minimize the runtime overhead under certain constraints and requirements. The traces built by a profiler during the work, affect the performance of the system itself. One of important aspect of an overhead arises from the randomness of variability in the context in which the application is embedded, e.g., due to possible cache misses, etc. Such uncertainty needs to be taken into account in the design phase. In order to overcome these difficulties we propose to investigate this issue through the analysis of the probability distribution of the difference between profiler’s times for the same code. The approximating model is based on the finite normal mixtures within the framework of the method of moving separation of mixtures. We demonstrate some results for the MATLAB profiler using plotting of 3D surfaces by the function surf. The idea can be used for an estimating of a program efficiency.

97 MATHEMATICS AND COMPUTING↗

Superconvergence results of Legendre spectral projection methods for Volterra integral equations of second kind

In this paper, Legendre spectral projection methods are applied for the Volterra integral equations of second kind with a smooth kernel. We prove that the approximate solutions of the Legendre Galerkin and Legendre collocation methods converge to the exact solution with the order O(n{sup −r}) in L{sup 2}-norm and order O(n{sup −r+(1/2)}) in infinity norm, and the iterated Legendre Galerkin solution converges with the order O(n{sup −2r}) in both L{sup 2}-norm and infinity norm, whereas the iterated Legendre collocation solution converges with the order O(n{sup −r}) in both L{sup 2}-norm and infinity norm, n being the highest degree of Legendre polynomials employed in the approximation and r being the smoothness of the kernels. We have also considered multi-Galerkin method and its iterated version, and prove that the iterated multi-Galerkin solution converges with the order O(n{sup −3r}) in both infinity and L{sup 2} norm. Numerical examples are given to illustrate the theoretical results.

97 MATHEMATICS AND COMPUTING↗