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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 235 records · Page 13

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NASA NTRS2019

A Fast All-Sky Radiation Model for Solar Applications with Narrowband Irradiances on Tilted Surfaces (FARMS-NIT): Part II. The Cloudy-Sky Model

The Fast All-sky Radiation Model for Solar applications with Narrowband Irradiances on Tilted surfaces (FARMSNIT) reported in Part I of this study is enhanced to include the requirements for cloudy-sky conditions. Surface radiances in 2002 narrow-wavelength bands from 0.28 to 4.0 μm are analytically computed by solving the radiative transfer equation for five independent photon paths accounting for clear-sky absorption, Rayleigh scattering, and cloud absorption and scattering. The Simple Model of the Atmospheric Radiative Transfer of Sunshine (SMARTS) is used to provide the optical thickness of the clear-sky atmosphere. Unlike Part I, which approximates the computation of aerosol scattering using the single-scattering phase function, the cloud transmittance and reflectance are efficiently retrieved from a comprehensive look-up table pre-computed by a 32-stream DIScrete Ordinates Radiative Transfer (DISORT) model for possible cloud conditions as well as solar and viewing geometries. A resolution analysis is performed to assess the optimal balance between the computational efficiency and accuracy in the development of the look-up table. Model simulations by DISORT and TMYSPEC are used to evaluate the performance of FARMS-NIT under cloudy-sky conditions. Compared to DISORT, FARMS-NIT yields 2–3% uncertainties on average, but it substantially reduces the computational time because of the independent computation of cloud properties and the implementation of the look-up table. In contrast to TMYSPEC, which uses successive steps to empirically compute plane-of-array (POA) irradiances and spectral irradiances, FARMS-NIT directly solves spectral radiances from the radiative transfer equation, which profoundly increases the accuracy in surface irradiances, especially over inclined photovoltaics (PV) panels.

Xie, Yu↗

DOE OSTI2018

Galerkin finite element method for time-fractional stochastic diffusion equations

In this paper, Galerkin finite element method for solving the time-fractional stochastic diffusion equations with multiplicative noise is proposed and investigated. The pathwise regularity properties of solutions to the semidiscrete Galerkin approximations are demonstrated and the convergence of optimal rates are derived. And also we construct the fully discrete scheme which is based on the approximations of the Mittag–Leffler function and analyze the error estimates of convergence in L{sub 2}-norm space. Finally, numerical results are conducted to confirm our theoretical findings.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Mathematical methods for optimal polynomial recovery of high-dimensional systems from noisy data

The goal of our Early Career Research Project (ECRP) is to establish a modern mathematical foundation that will enable next-generation computational methods for polynomial approximation of high-dimensional systems, having a certain set of constraints, from a limited amount of noisy data. Such a foundation is critical to realizing the future potential of the DOE user facilities, and will ultimately empower scientists to address a fundamental question, namely, “how many realizations of a nonlinear manifold are required to recover the entire high-dimensional solution map, with optimal approximation guarantees and minimal computational cost?” The central theme of this effort aims to conquer this challenge by pioneering the development of extraordinarily innovative theoretical analysis and transformational non-intrusive computational methodologies. Such approaches will enable the reconstruction of the entire high-dimensional solution map, with accuracy comparable to the best approximation, while utilizing an optimal number of samples. During this reporting period we have made significant progress on four thrusts.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Asymptotic expansions and approximations for the Caputo derivative

In this paper, we use the asymptotic expansions of the binomial coefficients and the weights of the L1 approximation to obtain approximations of order 2−α and second-order approximations of the Caputo derivative by modifying the weights of the shifted Grünwald–Letnikov difference approximation and the L1 approximation of the Caputo derivative. A modification of the shifted Grünwald–Letnikov approximation is obtained which allows second-order numerical solutions of fractional differential equations with arbitrary values of the solutions and their first derivatives at the initial point.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Modified Steklov Functions and Numerical Differentiation Formulas

We consider an approximation method based on Steklov functions of the first and second order. We obtain estimates for the norms in the space C of continuous periodic functions and clarify how they connect with numerical differentiation formulas.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Discrete Approximations of Dynamical Quantum Zeno Effect

In this paper, we discuss approximations of the dynamical quantum Zeno effect by a fixed number of nonselective quantum measurements. A wide class of measurements whose efficiency is close to optimal in the case of two-level systems is found.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Numerical multi-scaling method to solve the linear stochastic partial differential equations

In this paper, we propose a multi-scaling method to solve a class of the stochastic partial differential equations (SPDEs) of Itô-type. By this method, we approximate the solution of the SPDEs with strongly elliptic operator on a finite domain. The method is based on B-spline wavelet approximations; some of these functions are reshaped to satisfy on boundary conditions exactly. We prove the consistency and stability of the method. Illustrative examples are included to demonstrate the validity and applicability of our proposed technique.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

On Coarse Grid Correction Methods in Krylov Subspaces

Two approaches using coarse grid correction in the course of a certain Krylov iterative process are presented. The aim of the correction is to accelerate the iterations. These approaches are based on an approximation of the function sought for by simple basis functions having finite supports. Additional acceleration can be achieved if the iterative process is restarted and the approximate solution is refined. In this case, the resulting process turns out to be a two-level preconditioned method. The influence of different parameters of the iterative process on its convergence is demonstrated by numerical results.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

Svizhenko, Alexei↗

NASA NTRS2008

Impacts of the IBM Cell Processor to Support Climate Models

NASA is interested in the performance and cost benefits for adapting its applications to the IBM Cell processor. However, its 256KB local memory per SPE and the new communication mechanism, make it very challenging to port an application. We selected the solar radiation component of the NASA GEOS-5 climate model, which: (1) is representative of column physics (approximately 50% computational time), (2) has a high computational load relative to transferring data from and to main memory, (3) performs independent calculations across multiple columns. We converted the baseline code (single-precision, Fortran) to C and ported it with manually SIMDizing 4 independent columns and found that a Cell with 8 SPEs can process 2274 columns per second. Compared with the baseline results, the Cell is approximately 5.2X, approximately 8.2X, approximately 15.1X faster than a core on Intel Woodcrest, Dempsey, and Itanium2, respectively. We believe this dramatic performance improvement makes a hybrid cluster with Cell and traditional nodes competitive.

Zhou, Shujia↗

NASA NTRS2000

2D Quantum Mechanical Study of Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. We present the results of our simulations of MIT 25, 50 and 90 nm "well-tempered" MOSFETs and compare them to those of classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. Surprisingly, the self-consistent potential profile shows lower injection barrier in the channel in quantum case. These results are qualitatively consistent with ID Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and subthreshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

NASA NTRS2001

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Svizhenko, Alexei↗

DOE OSTI2018

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↗

DOE OSTI2019

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↗

NASA NTRS2001

2D Quantum Transport Modeling in Nanoscale MOSFETs

With the onset of quantum confinement in the inversion layer in nanoscale MOSFETs, behavior of the resonant level inevitably determines all device characteristics. While most classical device simulators take quantization into account in some simplified manner, the important details of electrostatics are missing. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL, and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density- gradient and quantum-corrected MEDICI). We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions, oxide tunneling and phase-breaking scattering are treated on equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Quantum simulations are focused on MIT 25, 50 and 90 nm "well- tempered" MOSFETs and compared to classical and quantum corrected models. The important feature of quantum model is smaller slope of Id-Vg curve and consequently higher threshold voltage. These results are quantitatively consistent with I D Schroedinger-Poisson calculations. The effect of gate length on gate-oxide leakage and sub-threshold current has been studied. The shorter gate length device has an order of magnitude smaller current at zero gate bias than the longer gate length device without a significant trade-off in on-current. This should be a device design consideration.

Svizhenko, Alexei↗

DOE OSTI2018

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↗

NASA NTRS2014

3D Space Radiation Transport in a Shielded ICRU Tissue Sphere

A computationally efficient 3DHZETRN code capable of simulating High Charge (Z) and Energy (HZE) and light ions (including neutrons) under space-like boundary conditions with enhanced neutron and light ion propagation was recently developed for a simple homogeneous shield object. Monte Carlo benchmarks were used to verify the methodology in slab and spherical geometry, and the 3D corrections were shown to provide significant improvement over the straight-ahead approximation in some cases. In the present report, the new algorithms with well-defined convergence criteria are extended to inhomogeneous media within a shielded tissue slab and a shielded tissue sphere and tested against Monte Carlo simulation to verify the solution methods. The 3D corrections are again found to more accurately describe the neutron and light ion fluence spectra as compared to the straight-ahead approximation. These computationally efficient methods provide a basis for software capable of space shield analysis and optimization.

Wilson, John W.↗

DOE OSTI2022

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↗