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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 757 records · Page 42

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NASA NTRS1984

Discrete models for the numerical analysis of time-dependent multidimensional gas dynamics

A possible technique is explored for extending to multidimensional flows some of the upwind-differencing methods that are highly successful in the one-dimensional case. Emphasis is on the two-dimensional case, and the flow domain is assumed to be divided into polygonal computational elements. Inside each element, the flow is represented by a local superposition of elementary solutions consisting of plane waves not necessarily aligned with the element boundaries.

Roe, P. L.↗

NASA NTRS1986

Discrete models for the numerical analysis of time-dependent multidimensional gas dynamics

Roe, P. L.↗

DOE OSTI2021

The Sensitivity Analysis of Coil Misalignment for a 200-kW Dynamic Wireless Power Transfer System with an LCC-S and LCC-P Compensation

The dynamic wireless power transfer systems may reduce the battery size of electric vehicles while maintaining the travel range. Similar to the stationary wireless power transfer systems, the compensation networks are desired in dynamic wireless charging systems at the primary and secondary sides to reduce the reactive power requirement from the source and improve the efficiency. Consequently, it is essential to understand the behavior of the compensation networks, especially the sensitivity to misalignments. This paper presents a sensitivity analysis of LCC-S and LCC-P compensation networks for a 200-kW power transfer with variations in the coupling coefficient due to the electric vehicle travel and misalignments between the pads. The sensitivity study combines the electromagnetic finite element analysis and circuit analysis to determine the impact of misalignments on the wireless power transfer system characteristics. The theoretical analysis is verified by conducting circuit simulations at discrete points to verify the accuracy of the mathematical model.

Kavimandan, Utkarsh↗

DOE OSTI2020

The virtual element method for linear elastodynamics models: Design, analysis, and implementation

We design the conforming virtual element method for the numerical simulation of two dimensional time-dependent elastodynamics problems. We investigate the performance of the method both theoretically and numerically. We prove the stability and the convergence of the semi-discrete approximation in the energy norm and derive optimal error estimates. We also show the convergence in the L 2 norm. The performance of the virtual element method is assessed on a set of different computational meshes, including non-convex cells up to order four in the h-refinement setting. Exponential convergence is also experimentally seen in the p-refinement setting.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1982

Iterative algorithms for large sparse linear systems on parallel computers

Algorithms for assembling in parallel the sparse system of linear equations that result from finite difference or finite element discretizations of elliptic partial differential equations, such as those that arise in structural engineering are developed. Parallel linear stationary iterative algorithms and parallel preconditioned conjugate gradient algorithms are developed for solving these systems. In addition, a model for comparing parallel algorithms on array architectures is developed and results of this model for the algorithms are given.

Adams, L. M.↗

DOE OSTI2021

On a nonlocal Cahn–Hilliard model permitting sharp interfaces

A nonlocal Cahn–Hilliard model with a non-smooth potential of double-well obstacle type that promotes sharp interfaces in the solution is presented. To capture long-range interactions between particles, a nonlocal Ginzburg–Landau energy functional is defined which recovers the classical (local) model as the extent of nonlocal interactions vanish. In contrast to the local Cahn–Hilliard problem that always leads to diffuse interfaces, the proposed nonlocal model can lead to a strict separation into pure phases of the substance. In this work, the lack of smoothness of the potential is essential to guarantee the aforementioned sharp-interface property. Mathematically, this introduces additional inequality constraints that, in a weak formulation, lead to a coupled system of variational inequalities which at each time instance can be restated as a constrained optimization problem. We prove the well-posedness and regularity of the semi-discrete and continuous in time weak solutions, and derive the conditions under which pure phases are admitted. Moreover, we develop discretizations of the problem based on finite element methods and implicit–explicit time-stepping methods that can be realized efficiently. Finally, we illustrate our theoretical findings through several numerical experiments in one and two spatial dimensions that highlight the differences in features of local and nonlocal solutions and also the sharp interface properties of the nonlocal model.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

A three-dimensional meso-macroscopic model for Li-Ion intercalation batteries

Through this study, we present a three-dimensional computational formulation for electrode-electrolyte-electrode system of Li-Ion batteries. The physical consistency between electrical, thermal and chemical equations is enforced at each time increment by driving the residual of the resulting coupled system of nonlinear equations to zero. The formulation utilizes a rigorous volume averaging approach typical of multiphase formulations used in other fields and recently extended to modeling of supercapacitors [1]. Unlike existing battery modeling methods which use segregated solution of conservation equations and idealized geometries, our unified approach can model arbitrary battery and electrode configurations. The consistency of multi-physics solution also allows for consideration of a wide array of initial conditions and load cases. The formulation accounts for spatio-temporal variations of material and state properties such as electrode/void volume fractions and anisotropic conductivities. The governing differential equations are discretized using the finite element method and solved using a nonlinearly consistent approach that provides robust stability and convergence. The new formulation was validated for standard Li-ion cells and compared against experiments. Finally, its scope and ability to capture spatio-temporal variations of potential and lithium distribution is demonstrated on a prototypical three-dimensional electrode problem.

25 ENERGY STORAGE↗

DOE OSTI2024

Collective neural network behavior in a dynamically driven disordered system of superconducting loops

Collective properties of complex systems composed of many interacting components such as neurons in our brain can be modeled by artificial networks based on disordered systems. We show that a disordered neural network of superconducting loops with Josephson junctions can exhibit computational properties like categorization and associative memory in the time evolution of its state in response to information from external excitations. Superconducting loops can trap multiples of fluxons in many discrete memory configurations defined by the local free energy minima in the configuration space of all possible states. A memory state can be updated by exciting the Josephson junctions to fire or allow the movement of fluxons through the network as the current through them surpasses their critical current thresholds. Simulations performed with a lumped element circuit model of a 4-loop network show that information written through excitations is translated into stable states of trapped flux and their time evolution. Experimental implementation on a high-Tc superconductor YBCO-based 4-loop network shows dynamically stable flux flow in each pathway characterized by the correlations between junction firing statistics. Neural network behavior is observed as energy barriers separating state categories in simulations in response to multiple excitations, and experimentally as junction responses characterizing different flux flow patterns in the network. The state categories that produce these patterns have different temporal stabilities relative to each other and the excitations. This provides strong evidence for time-dependent (short-to-long-term) memories, that are dependent on the geometrical and junction parameters of the loops, as described with a network model.

Josephson junctions↗

DOE OSTI2017

A performance spectrum for parallel computational frameworks that solve PDEs

Summary Important computational physics problems are often large‐scale in nature, and it is highly desirable to have robust and high performing computational frameworks that can quickly address these problems. However, it is no trivial task to determine whether a computational framework is performing efficiently or is scalable. The aim of this paper is to present various strategies for better understanding the performance of any parallel computational frameworks for solving PDEs. Important performance issues that negatively impact time‐to‐solution are discussed, and we propose a performance spectrum analysis that can enhance one's understanding of critical aforementioned performance issues. As proof of concept, we examine commonly used finite element simulation packages and software and apply the performance spectrum to quickly analyze the performance and scalability across various hardware platforms, software implementations, and numerical discretizations. It is shown that the proposed performance spectrum is a versatile performance model that is not only extendable to more complex PDEs such as hydrostatic ice sheet flow equations but also useful for understanding hardware performance in a massively parallel computing environment. Potential applications and future extensions of this work are also discussed.

Chang, J.↗

DOE OSTI2023

Geothermal Play Fairway Analysis, Part 2: GIS methodology

Play Fairway Analysis (PFA) in geothermal exploration originates from a systematic methodology developed within the petroleum industry and is based on a geologic, geophysical, and hydrologic framework of identified geothermal systems. We tailored this methodology to study the geothermal resource potential of the Snake River Plain and surrounding region, but it can be adapted to other geothermal resource settings. We adapted the PFA approach to geothermal resource exploration by cataloging the critical elements controlling exploitable hydrothermal systems, establishing risk matrices that evaluate these elements in terms of both probability of success and level of knowledge, and building a code-based ‘processing model’ to process results. A geographic information system was used to compile a range of different data types, which we refer to as elements (e.g., faults, vents, heat flow, etc.), with distinct characteristics and measures of confidence. Discontinuous discrete data (points, lines, or polygons) for each element were transformed into continuous interpretive 2D grid surfaces called evidence layers. Because different data types have varying uncertainties, most evidence layers have an accompanying confidence layer which reflects spatial variations in these uncertainties. Risk layers, as defined here, are the product of evidence and confidence layers, and are the building blocks used to construct Common Risk Segment (CRS) maps for heat, permeability, and seal, using a weighted sum for permeability and heat, but a different approach with seal. CRS maps quantify the variable risk associated with each of these critical components. In a final step, the three CRS maps were combined into a Composite Common Risk Segment (CCRS) map, using a modified weighted sum, for results that reveal favorable areas for geothermal exploration. Additional maps are also presented that do not mix contributions from evidence and confidence (to allow an isolated view of evidence and confidence), as well as maps that calculate favorability using the product of components instead of a weighted sum (to highlight where all components are present). Our approach helped to identify areas of high geothermal favorability in the western and central Snake River Plain during the first phase of study and helped identify more precise local drilling targets during the second phase of work. By identifying favorable areas, this methodology can help to reduce uncertainty in geothermal energy exploration and development.

15 GEOTHERMAL ENERGY↗

NASA NTRS1986

An analytical treatment of discretely varying constraints and inertial properties in multi-body dynamics

A computerized procedure is presented for calculating instantaneous velocity changes due to discrete imposition of constraints, impact or discrete inertial changes. Such discrete changes are impulsive in nature, involve wave propagation and therefore usually require detailed modeling for accurate prediction. It is demonstrated that when modeling is coarse, physically unrealistic results can be produced. The present procedure, which concentrates on finite element analysis, reduces the need for detailed modeling by assuming that only those velocities in the neighborhood of grid points involved in the constraint or those rigidly connected to grid points involved in the constraint need be considered in calculating velocity changes. The procedure utilizes Newton's second law and as such conserves momentum where valid. Sample problems are provided.

Housner, J. M.↗

NASA NTRS1993

Semi-discrete Galerkin solution of the compressible boundary-layer equations with viscous-inviscid interaction

A semi-discrete Galerkin (SDG) method is under development to model attached, turbulent, and compressible boundary layers for transonic airfoil analysis problems. For the boundary-layer formulation the method models the spatial variable normal to the surface with linear finite elements and the time-like variable with finite differences. A Dorodnitsyn transformed system of equations is used to bound the infinite spatial domain thereby providing high resolution near the wall and permitting the use of a uniform finite element grid which automatically follows boundary-layer growth. The second-order accurate Crank-Nicholson scheme is applied along with a linearization method to take advantage of the parabolic nature of the boundary-layer equations and generate a non-iterative marching routine. The SDG code can be applied to any smoothly-connected airfoil shape without modification and can be coupled to any inviscid flow solver. In this analysis, a direct viscous-inviscid interaction is accomplished between the Euler and boundary-layer codes through the application of a transpiration velocity boundary condition. Results are presented for compressible turbulent flow past RAE 2822 and NACA 0012 airfoils at various freestream Mach numbers, Reynolds numbers, and angles of attack.

Day, Brad A.↗

NASA NTRS2010

Roughness Based Crossflow Transition Control for a Swept Airfoil Design Relevant to Subsonic Transports

A high fidelity transition prediction methodology has been applied to a swept airfoil design at a Mach number of 0.75 and chord Reynolds number of approximately 17 million, with the dual goal of an assessment of the design for the implementation and testing of roughness based crossflow transition control and continued maturation of such methodology in the context of realistic aerodynamic configurations. Roughness based transition control involves controlled seeding of suitable, subdominant crossflow modes in order to weaken the growth of naturally occurring, linearly more unstable instability modes via a nonlinear modification of the mean boundary layer profiles. Therefore, a synthesis of receptivity, linear and nonlinear growth of crossflow disturbances, and high-frequency secondary instabilities becomes desirable to model this form of control. Because experimental data is currently unavailable for passive crossflow transition control for such high Reynolds number configurations, a holistic computational approach is used to assess the feasibility of roughness based control methodology. Potential challenges inherent to this control application as well as associated difficulties in modeling this form of control in a computational setting are highlighted. At high Reynolds numbers, a broad spectrum of stationary crossflow disturbances amplify and, while it may be possible to control a specific target mode using Discrete Roughness Elements (DREs), nonlinear interaction between the control and target modes may yield strong amplification of the difference mode that could have an adverse impact on the transition delay using spanwise periodic roughness elements.

Li, Fei↗

DOE OSTI2016

A practical model for fluid flow in discrete-fracture porous media by using the numerical manifold method

Here in this study, a numerical manifold method (NMM) model is developed to analyze flow in porous media with discrete fractures in a non-conforming mesh. This new model is based on a two-cover-mesh system with a uniform triangular mathematical mesh and boundary/fracture-divided physical covers, where local independent cover functions are defined. The overlapping parts of the physical covers are elements where the global approximation is defined by the weighted average of the physical cover functions. The mesh is generated by a tree-cutting algorithm. A new model that does not introduce additional degrees of freedom (DOF) for fractures was developed for fluid flow in fractures. The fracture surfaces that belong to different physical covers are used to represent fracture flow in the direction of the fractures. In the direction normal to the fractures, the fracture surfaces are regarded as Dirichlet boundaries to exchange fluxes with the rock matrix. Furthermore, fractures that intersect with Dirichlet or Neumann boundaries are considered. Simulation examples are designed to verify the efficiency of the tree-cutting algorithm, the calculation's independency from the mesh orientation, and accuracy when modeling porous media that contain fractures with multiple intersections and different orientations. The simulation results show good agreement with available analytical solutions. Finally, the model is applied to cases that involve nine intersecting fractures and a complex network of 100 fractures, both of which achieve reasonable results. The new model is very practical for modeling flow in fractured porous media, even for a geometrically complex fracture network with large hydraulic conductivity contrasts between fractures and the matrix.

58 GEOSCIENCES↗

DOE OSTI2016

Numerical modeling of heterogeneous asperity distributions controlling the growth of shear rupture on a frictional fault

Copyright 2016 ARMA, American Rock Mechanics Association. A better understanding of the strength distributions and the seismic response of asperities failing within a cohesive (or breakdown) region of the growing shear rupture is important in many engineering disciplines, such as, hydraulic fracture and induced seismicity. In the laboratory, a fault is experimentally modeled by a 400 mm × 80 mm × 12 mm PMMA slider sheared across a large PMMA base plate. A pressure-sensitive film was employed to localize and size, and measure normal stress upon contact junctions. Moments prior to rapid sliding, multiple discrete and localized dynamic events (or foreshocks) were observed at a section of the fault that exhibited a sparse to dense transition in asperity distribution. Experiments showed that foreshocks occurred as the crack (rupture front) moved into the resistive patch of densely distributed asperities. We use the results of pressure sensitive film asperity measurements to develop a heterogeneous finite element (FE) model that studies the effect of asperities within the cohesive region have on the expanding shear crack. Slip accumulated heterogeneously during the loading cycle due to the non-uniform distribution of asperities. We study the constitutive behavior of a frictional interface where local slip is determined by the asperities and their ability to communicate elastically. A foreshock (Mw -7.4) was simulated in a quasi-static manner by instantaneoulsy removing an asperity contact during the loading cycle. The foreshock increased shear stress perturbations to neighboring regions up to distances of ~ 10 to 15 source radii.

Selvadurai, PA↗

DOE OSTI2023

Biomass Feedstock Flow Modeling at Exascale

Variable biomass feedstock handling in hoppers and screw conveyors can cause upstream failures and disrupt downstream conversion operations. Understanding how particle size, shape, and moisture content affect feedstock flowability is important for efficient biorefinery operation. We present the use of our open-source discrete element method (DEM) solver for predicting flows in large scale hoppers and assess its performance on state-of-the-art high performance computing platforms that use heterogenous computing architectures.

bioenergy↗

DOE OSTI2023

Identifying crack tip position and stress intensity factors from displacement data

Fracture prognosis and characterization efforts require knowledge of crack tip position and the Stress Intensity Factors (SIFs) acting in the vicinity of the crack. Here, in this work, we present an efficient numerical approach to infer both of these characteristics under a consistent theoretical framework from noisy, unstructured displacement data. The novel approach utilizes the separability of the asymptotic linear elastic fracture mechanics fields to expedite the search for crack tip position and is particularly useful for noisy displacement data. The manuscript begins with an assessment of the importance of accurately locating crack tip position when quantifying the SIFs from displacement data. Next, the proposed separability approach for quickly inferring crack tip position is introduced. Comparing to the widely used displacement correlation approach, the performance of the separability approach is assessed. Cases involving both noisy data and systematic deviation from the asymptotic linear elastic fracture mechanics model are considered, e.g. inelastic material behavior and finite geometries. An open source python implementation of the proposed approach is available for use by those doing field and laboratory work involving digital image correlation and simulations, e.g. finite element, discrete element, molecular dynamics and peridynamics, where the crack tip position is not explicitly defined.

36 MATERIALS SCIENCE↗

DOE OSTI2026

An Integrated Computational Materials Engineering (ICME) Approach to Design Nonlinear Transition Zones Between Dissimilar Metals

Current approaches to designing graded transition joints (GTJs) between dissimilar metals often rely on linear changes in both composition profiles and thickness of each sublayer. This increases fabrication cost and may not be optimal with respect to residual stress or the formation of undesirable phases. Here, in this study, GTJs between P91 ferritic/martensitic steel and 347H austenitic stainless steel were designed using Integrated Computational Materials Engineering (ICME) principles with nonlinear composition and length profiles. Guided by inputs from classical mechanics and CALPHAD predictions of carbon chemical potential, a novel transition zone consisting of five discrete compositions was proposed, with the thickness of each sublayer varying according to a brachistochrone-inspired distribution. In addition to carbon potential gradients, CALPHAD was used to predict coefficients of thermal expansion, which were incorporated into finite element models to evaluate stress evolution. The proposed nonlinear design resulted in a smoother carbon potential gradient, lower carbon depletion at the P91 interface, and a comparable residual stress under long-term thermal exposure, compared to a conventional linear design using ten sublayers with equal thickness. This work introduces a brachistochrone-inspired distribution for GTJ design, offering a general framework for optimizing graded interfaces between dissimilar metals.

Directed Energy Deposition↗