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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Estimating Higher-Order Moments Using Symmetric Tensor Decomposition

In this paper, we consider the problem of decomposing higher-order moment tensors, i.e., the sum of symmetric outer products of data vectors. Such a decomposition can be used to estimate the means in a Gaussian mixture model and for other applications in machine learning. The dth-order empirical moment tensor of a set of p observations of n variables is a symmetric d-way tensor. Our goal is to nd a low-rank tensor approximation comprising r $\ll$ p symmetric outer products. The challenge is that forming the empirical moment tensor costs O(pn d ) operations and O(n d ) storage, which may be prohibitively expensive; additionally, the algorithm to compute the low-rank approximation costs O(n d ) per iteration. Our contribution is avoiding formation of the moment tensor, computing the low-rank tensor approximation of the moment tensor implicitly using O(pnr) operations per iteration and no extra memory. This advance opens the door to more applications of higher-order moments since they can now be efficiently computed. We present numerical evidence of the computational savings and show an example of estimating the means for higher-order moments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Status on the Development of a Modeling and Simulation Framework for the Economic Assessment of Nuclear Hybrid Energy Systems

An effort to design and build a modeling and simulation framework to assess the economic viability of Nuclear Hybrid Energy Systems (NHES) was undertaken in fiscal year 2015 (FY15). The purpose of this report is to document the various tasks associated with the development of such a framework and to provide a status on its progress. Several tasks have been accomplished. First, starting from a simulation strategy, a rigorous mathematical formulation has been achieved in which the economic optimization of a Nuclear Hybrid Energy System is presented as a constrained robust (under uncertainty) optimization problem. Some possible algorithms for the solution of the optimization problem are presented. A variation of the Simultaneous Perturbation Stochastic Approximation algorithm has been implemented in RAVEN and preliminary tests have been performed. The development of the software infrastructure to support the simulation of the whole NHES has also moved forward. The coupling between RAVEN and an implementation of the Modelica language (OpenModelica) has been implemented, migrated under several operating systems and tested using an adapted model of a desalination plant. In particular, this exercise was focused on testing the coupling of the different code systems; testing parallel, computationally expensive simulations on the INL cluster; and providing a proof of concept for the possibility of using surrogate models to represent the different NHES subsystems. Another important step was the porting of the RAVEN code under the Windows™ operating system. This accomplishment makes RAVEN compatible with the development environment that is being used for dynamic simulation of NHES components. A very simplified model of a NHES on the electric market has been built in RAVEN to confirm expectations on the analysis capability of RAVEN to provide insight into system economics and to test the capability of RAVEN to identify limit surfaces even for stochastic constraints. This capability will be needed in the future to enforce the stochastic constraints on the electric demand coverage from the NHES. The development team gained experience with many of the tools that are currently envisioned for use in the economic analysis of NHES and completed several important steps. Given the complexity of the project, preference has been given to a structural approach in which several independent efforts have been used to build the cornerstone of the simulation framework. While this is good approach in establishing such a complex framework, it may delay reaching more complete results on the performance of analyzed system configurations. The integration of the previously reported exergy analysis approach was initially proposed as part of this milestone. However, in reality, the exergy-based apportioning of cost will take place only in a second stage of the implementation since it will be used to properly allocate cost among the different NHES subsystems. Therefore, exergy does not appear at the level of the main drivers in the analysis framework; the latter development of the base framework is the focus of this report.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

A computationally-efficient method for flamelet calculations

A new open-source code for the simulation of the diffusion flamelet equations is proposed. Emphasis is placed on using an approximate Jacobian to reduce the computational cost of the matrix operations. Performance of the proposed solvers is tested by performing flamelet calculations with kinetic mechanisms of varying sizes. For the unity Lewis number equations, the present iterative Newton solver using an approximate Jacobian greatly outperforms direct Newton solvers using exact Jacobians. The computation cost scales linearly with the number of species, leading to a reduction in solution times by two orders of magnitude for mechanisms containing thousands of species. The applicability of the Jacobian approximations to the solution of the non-unity Lewis number flamelet equations is assessed. The approximations are generally inadequate to solve the full non-unity Lewis number equations but can be used in some applications depending on the balance of terms in the flamelet equations. As an example, the flamelet solver is applied to the study of sooting tendencies in laminar co-flow diffusion flames where modified non-unity Lewis number flamelet equations, previously shown to accurately reproduce experimentally-measured Yield Sooting Indices (YSI), are solved. Here, the accelerated flamelet solver is well suited for sensitivity analysis and uncertainty quantification with large detailed kinetic mechanisms, tasks for which the computational cost was previously prohibitive.

42 ENGINEERING↗
DOE OSTI2020

Experimental Validation of Approximate Dynamic Programming Based Optimization and Convergence on Microgrid Applications

Stochastic optimization can better address uncertainties in power system problems. However, when state space and action space become large, many existing approaches become computationally expensive and even infeasible. Approximate dynamic programming (ADP) attracts researchers’ attention as a powerful tool for solving power system optimization problems with reduced computational cost. In this paper, in light of the existing literature, we investigate how the ADP approach with post-decision value function approximation converges to the nearly optimal solution with improved computational speed and experimentally validate the performance of the approach for a microgrid energy optimization problem. The approximation error versus the number of iteration is studied for convergence analysis of the post-decision ADP. A flowchart is provided to illustrate the proposed ADP algorithm for a microgrid energy optimization problem. The performance of ADP and dynamic programming (DP) is compared in terms of optimization error and computational time. It has found that the post-decision ADP approach can achieve competitive optimality with improved computational speed compared to the traditional DP.

Das, Avijit↗
DOE OSTI2018

Maximum Kolmogorov-Sinai Entropy Versus Minimum Mixing Time in Markov Chains

We establish a link between the maximization of Kolmogorov Sinai entropy (KSE) and the minimization of the mixing time for general Markov chains. Since the maximisation of KSE is analytical and easier to compute in general than mixing time, this link provides a new faster method to approximate the minimum mixing time dynamics. It could be interesting in computer sciences and statistical physics, for computations that use random walks on graphs that can be represented as Markov chains.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Enhanced Estimation of Quantum Properties with Common Randomized Measurements

We present a technique for enhancing the estimation of quantum state properties by incorporating approximate prior knowledge about the quantum state. This consists in performing randomized measurements on a quantum processor and comparing the results with those obtained from a classical computer that stores an approximation of the quantum state. We provide unbiased estimators for expectation values of multicopy observables and present performance guarantees in terms of variance bounds that depend on the prior knowledge accuracy. We demonstrate the effectiveness of our approach through experimental and numerical examples detecting mixed-state entanglement, and estimating polynomial approximations of the von Neumann entropy and state fidelities. Published by the American Physical Society 2024

Physics↗
DOE OSTI2016

Phononic thermal resistance due to a finite periodic array of nano-scatterers

The wave property of phonons is employed to explore the thermal transport across a finite periodic array of nano-scatterers such as circular and triangular holes. As thermal phonons are generated in all directions, we study their transmission through a single array for both normal and oblique incidences, using a linear dispersionless time-dependent acoustic frame in a two-dimensional system. Roughness effects can be directly considered within the computations without relying on approximate analytical formulae. Analysis by spatio-temporal Fourier transform allows us to observe the diffraction effects and the conversion of polarization. Frequency-dependent energy transmission coefficients are computed for symmetric and asymmetric objects that are both subject to reciprocity. We demonstrate that the phononic array acts as an efficient thermal barrier by applying the theory of thermal boundary (Kapitza) resistances to arrays of smooth scattering holes in silicon for an exemplifying periodicity of 10 nm in the 5–100 K temperature range. It is observed that the associated thermal conductance has the same temperature dependence as that without phononic filtering.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1988

Computational fluid dynamics and aerothermodynamics

Approximations applicable to the radiating, reacting, and conducting stagnation region of a hypervelocity vehicle were incorporated into a method for rapidly obtaining approximate solutions. This solution utilizes a coordinate system based upon the origin of the radiative losses and includes in a phenomenologically correct manner the effects of chemical and thermal nonequilibrium, and nonequilibrium, nongray radiative transfer. Results were presented which demonstrate the usefulness of the method and indicate which radiation parameters require further study and definition. Excellent comparisons were obtained with published results for the Fire2 data. An axisymmetric nonequilibrium inverse method was modified and extended and used to investigate and compare various vibration dissociation chemistry coupling models and radiative heat transfer approximations. The similarities, differences, and consequences of using these models in the Aero-assist Orbital Transfer Vehicles flight regime will be discussed.

Carlson, Leland A.↗
NASA NTRS1991

Nongray radiative gas analyses using the S-N discrete ordinates method

The S-N discrete ordinates method is applied to analyze radiative heat transfer in nongray gases. Spectral correlation between the terms in the equation of transfer is considered for black or nearly nonreflecting walls. Formulations to apply the S-N method using a narrow-band or the exponential wide-band model are presented. The net radiative wall heat fluxes and the radiative source distributions are obtained for uniform, parabolic, and boundary layer-type temperature profiles, as well as for a parabolic concentration profile. The narrow- and wide-band nongray solutions are compared with gray-band approximations using the same band models. The computational speed of the gray-band approximation is obtained at the expense of accuracy in the internal fluxes and radiative source distributions. The wall radiative flux predictions by the gray-band approximation are satisfactory.

Kim, T. K.↗
NASA NTRS2005

Best-Fit Conic Approximation of Spacecraft Trajectory

A computer program calculates a best conic fit of a given spacecraft trajectory. Spacecraft trajectories are often propagated as conics onboard. The conic-section parameters as a result of the best-conic-fit are uplinked to computers aboard the spacecraft for use in updating predictions of the spacecraft trajectory for operational purposes. In the initial application for which this program was written, there is a requirement to fit a single conic section (necessitated by onboard memory constraints) accurate within 200 microradians to a sequence of positions measured over a 4.7-hour interval. The present program supplants a prior one that could not cover the interval with fewer than four successive conic sections. The present program is based on formulating the best-fit conic problem as a parameter-optimization problem and solving the problem numerically, on the ground, by use of a modified steepest-descent algorithm. For the purpose of this algorithm, optimization is defined as minimization of the maximum directional propagation error across the fit interval. In the specific initial application, the program generates a single 4.7-hour conic, the directional propagation of which is accurate to within 34 microradians easily exceeding the mission constraints by a wide margin.

Singh, Gurkipal↗
NASA NTRS2016

Changes in Flat Plate Wake Characteristics Obtained With Decreasing Plate Thickness

The near and very near wake of a flat plate with a circular trailing edge is investigated with data from direct numerical simulations. Computations were performed for four different Reynolds numbers based on plate thickness (D) and at constant plate length. The value of θ/D varies by a factor of approximately 20 in the computations (θ being the boundary layer momentum thickness at the trailing edge). The separating boundary layers are turbulent in all the cases. One objective of the study is to understand the changes in wake characteristics as the plate thickness is reduced (increasing θ/D). Vortex shedding is vigorous in the low θ/D cases with a substantial decrease in shedding intensity in the largest θ/D case (for all practical purposes shedding becomes almost intermittent). Other characteristics that are significantly altered with increasing θ/D are the roll-up of the detached shear layers and the magnitude of fluctuations in shedding period. These effects are explored in depth. The effects of changing θ/D on the distributions of the time-averaged, near-wake velocity statistics are discussed.

Wakes↗
NASA NTRS1988

Numerical investigations in three-dimensional internal flows

An investigation into the use of computational fluid dynamics (CFD) was performed to examine the expected heat transfer rates that will occur within the NASA-Ames 100 megawatt arc heater nozzle. This nozzle was tentatively designed and identified to provide research for a directly connected combustion experiment specifically related to the National Aerospace Plane Program (NASP) aircraft, and is expected to simulate the flow field entering the combustor section. It was found that extremely fine grids, that is very small mesh spacing near the wall, are required to accurately model the heat transfer process and, in fact, must contain a point within the laminar sublayer if results are to be taken directly from a numerical simulation code. In the present study, an alternative to this very fine mesh and its attendant increase in computational time was invoked and is based on a wall-function method. It was shown that solutions could be obtained that give accurate indications of surface heat transfer rate throughout the nozzle in approximately 1/100 of the computer time required to do the simulation directly without the use of the wall-function implementation. Finally, a maximum heating value in the throat region of the proposed slit nozzle for the 100 megawatt arc heater was shown to be approximately 6 MW per square meter.

Rose, William C.↗
NASA NTRS1977

Meteorite impact ejecta - Dependence of mass and energy lost on planetary escape velocity

The amounts of material and energy which escape a planet in a meteorite impact event is calculated as functions of impact and escape velocities. Results are obtained from the computed flow induced by the impact of iron and gabbroic anorthosite spheres onto a half-space of anorthosite at impact velocities of 5 to 45 km/sec. The impact-induced flows were determined by a numerical method using the mass, momentum, and energy conservation relations in finite-difference approximation, within an Eulerian computational grid. The impact velocities at which ejecta losses equal meteorite mass gains are found to be approximately 20, 35, and 45 km/sec for anorthosite objects and approximately 25, 35, and 40 km/sec for iron objects striking anorthosite surfaces for the gravity fields of the moon, Mercury and Mars.

Okeefe, J. D.↗
DOE OSTI2018

An adaptive local reduced basis method for solving PDEs with uncertain inputs and evaluating risk

Many physical systems are modeled using partial differential equations (PDEs) with uncertain or random inputs. For such systems, naively propagating a fixed number of samples of the input probability law (or an approximation thereof) through the PDE is often inadequate to accurately quantify the "risk" associated with critical system responses. In this paper, we develop a goal-oriented, adaptive sampling and local reduced basis approximation for PDEs with random inputs. Our method determines a set of samples and an associated (implicit) Voronoi partition of the parameter domain on which we build local reduced basis approximations of the PDE solution. The samples are selected in an adaptive manner using an a posteriori error indicator. A notable advantage of the proposed approach is that the computational cost of the approximation during the adaptive process remains constant. We provide theoretical error bounds for our approximation and numerically demonstrate the performance of our method when compared to widely used adaptive sparse grid techniques. In addition, we tailor our approach to accurately quantify the risk of quantities of interest that depend on the PDE solution. We demonstrate our method on an advection-diffusion example and a Helmholtz example. Keywords: stochastic partial differential equation, adaptive sampling, reduced basis, a posteriori error estimation, coherent risk measure, conditional value-at-risk.

42 ENGINEERING↗
DOE OSTI2019

Collaborative Computing Center (C3)

High Performance Computing (HPC) compliments theory and informs experimental processes in support of NE programs Big Data Analytics capabilities aid in the discovery of science-relevant relationships in data The C520 staff is made up of 19 Staff – Engineering, Basic Sciences, Computer Science, Statistics, Data Science, Technology Computer Computing Hardware Operations include: Falcon is fully utilized with an average 3X over subscription of waiting jobs over the past year Lemhi recently deployed in Feb 2019 Sawtooth procurement underway with Fall 2019 delivery 509 HPC accounts, lab, industry, university users 1.2 PB disk storage, 1.0 PB scratch storage, 0.8 PB disaster recovery storage Collaborative Computing Center nearing completion with approximately 200 staff -- Office space and 200 racks -- Data Center space for computer equipment

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1968

Concepts for a theoretical and experimental study of lifting rotor random loads and vibrations, Phase 2

A comparison with NASA conducted simulator studies has shown that the approximate digital method for computing rotor blade flapping responses to random inputs, tentatively suggested in Phase I Report, gives with increasing rotor advance ratio the wrong trend. Consequently, three alternative methods of solution have been considered and are described: (1) an approximate method based on the functional relation between input and output double frequency spectra, (2) a numerical method based on the system responses to deterministic inputs and (3) a perturbation approach. Among these the perturbation method requires the least amount of computation and has been developed in two forms - the first form to obtain the response correlation function and the second for the time averaged spectra of flapping oscillations.

Hohenemser, K. H.↗
DOE OSTI2016

Test-Based Calibration of Safety Factors for Capacity Models

In this paper, a simple procedure to calibrate the safety factor of capacity models is presented. The calibration can be carried out based on any available database of experimental tests, even of limited size. The procedure aims to assess the model capability of predicting the test results and to calibrate the safety factor so that the capacity equation meets the target reliability level required by the code or sought by the calibrator. After predicting each test of the database with the capacity equation under consideration, the test-prediction pairs are checked for the property of linearity, and the relative error for the properties of homoscedasticity and normality. Once these properties are fulfilled—which may require a nonlinear transformation of the test values and/or the predictions—the closed-form equation proposed in this paper is employed to compute a target design value. The model safety factor is finally obtained by comparing such target design value with the design value obtained from the code. The paper also proposes two approximate analytical equations to compute the tolerance factor, used to attain any given fractile, as a function of the (even small) number of tests, with any assigned confidence level. A fundamental outcome of the procedure is that it yields an objective indicator of the model accuracy, measured by the standard deviation of its error, which may be regarded as a parameter useful for selecting the most reliable model among different competing ones. In the long run, the application of the proposed procedure will allow achieving a uniform reliability level throughout all capacity models used in codes and guidelines. A further advantage is that the partial safety factors so derived can be straightforwardly updated when more experiments become available. Finally, as an example, the proposed procedure is herein applied to the ACI 318 shear design capacity equation for concrete members unreinforced in shear.

42 ENGINEERING↗
DOE OSTI2023

Quantum-centric Supercomputing for Materials Science: A Perspective on Challenges and Future Directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their simulation, analysis, and data resources. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. In this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE↗