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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

hIPPYlib-MUQ: A Bayesian Inference Software Framework for Integration of Data with Complex Predictive Models under Uncertainty

Bayesian inference provides a systematic framework for integration of data with mathematical models to quantify the uncertainty in the solution of the inverse problem. However, the solution of Bayesian inverse problems governed by complex forward models described by partial differential equations (PDEs) remains prohibitive with black-box Markov chain Monte Carlo (MCMC) methods. We present hIPPYlib-MUQ, an extensible and scalable software framework that contains implementations of state-of-the art algorithms aimed to overcome the challenges of high-dimensional, PDE-constrained Bayesian inverse problems. These algorithms accelerate MCMC sampling by exploiting the geometry and intrinsic low-dimensionality of parameter space via derivative information and low rank approximation. The software integrates two complementary open-source software packages, hIPPYlib and MUQ. hIPPYlib solves PDE-constrained inverse problems using automatically-generated adjoint-based derivatives, but it lacks full Bayesian capabilities. MUQ provides a spectrum of powerful Bayesian inversion models and algorithms, but expects forward models to come equipped with gradients and Hessians to permit large-scale solution. By combining these two complementary libraries, we created a robust, scalable, and efficient software framework that realizes the benefits of each and allows us to tackle complex large-scale Bayesian inverse problems across a broad spectrum of scientific and engineering disciplines. To illustrate the capabilities of hIPPYlib-MUQ, we present a comparison of a number of MCMC methods available in the integrated software on several high-dimensional Bayesian inverse problems. These include problems characterized by both linear and nonlinear PDEs, various noise models, and different parameter dimensions. The results demonstrate that large (~ 50×) speedups over conventional black box and gradient-based MCMC algorithms can be obtained by exploiting Hessian information (from the log-posterior), underscoring the power of the integrated hIPPYlib-MUQ framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

A hybrid calibration approach to Hertz-type contact parameters for discrete element models

This study aims at providing a hybrid calibration framework to estimate Hertz-type contact parameters (particle-scale shear modulus and Poisson ratio) for both two-dimensional and three-dimensional discrete element modelling (DEM). On the basis of statistically isotropic granular packings, a set of analytical formulae between macroscopic material parameters (Young modulus and Poisson ratio) and particle-scale Hertz-type contact parameters for granular systems are derived under small-strain isotropic stress conditions. However, the derived analytical solutions are only estimated values for general models. By viewing each DEM modelling as an implicit mathematical function taking the particle-level parameters as independent variables and employing the derived analytical solutions as the initial input parameters, an automatic iterative scheme is proposed to obtain the calibrated parameters with higher accuracies. Considering highly nonlinear features and discontinuities of the macro-micro relationship in Hertz-based discrete element models, the adaptive moment estimation algorithm is adopted in this study because of its capacity of dealing with noise gradients of cost functions. Here, the proposed method is validated with several numerical cases including randomly distributed monodisperse and polydisperse packings. Noticeable improvements in terms of calibration efficiency and accuracy have been made.

Constitutive law↗
DOE OSTI2021

Force Reconstruction Using the Inverse of the Mode-Shape Matrix [Book Chapter]

A new technique for force reconstruction is developed. To estimate the externally applied force, this technique sums the weight-scaled acceleration signals, and is referred to as the Sum of Weighted Accelerations Technique (SWAT). To obtain the scalar weights the inverse of the mode shape matrix is used. Application of this technique is illustrated with both numerical calculations using a mass-spring model and experimental data from a structure impacting a rigid barrier.

055001 -- Nuclear Fuels-- Safeguards, Inspection, ↗
DOE OSTI2020

Continuum Description of the Role of Negative Transference Numbers on Ion Motion in Polymer Electrolytes

New experimental techniques such as electrophoretic NMR (eNMR) are emerging as powerful methods for directly measuring ion velocities in electrolytes under applied electric fields. The aim of this theoretical study is to predict the spatial- and temporal-dependence of these velocities of ions as a function of the magnitude of the applied field and salt concentration. It has recently been shown that mixtures of poly(ethylene oxide)-based (PEO) and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) electrolytes exhibit negative cation transference numbers in a certain salt concentration range. In this range, the cation motion at early times is directed to the positive electrode at all locations in the cell; ion migration dominates in this regime. As time progresses, the cation velocity in finite zones near both the electrodes changes sign. These zones grow rapidly with time, reflecting the increasing importance of diffusion, and a point in time is reached beyond which the cation velocity in the entire cell is directed toward the negative electrode. Overall, our work reveals the limited time window over which the results of eNMR can be used to determine the transference number. More importantly, it shows how to account for the effect of diffusional flux in such experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

CSBCOO SPMM: Compressed Sparse Block Coordinate format sparse matrix dense vector multiply benchmark (CSBCOO SPMM) v1.0

The purpose of this microbenchmark is to provide a means to explore different programming methodologies using a simple, but not trivial, mathematical kernel. The kernel is based on the matrix vector product in the MFDn nuclear configuration interaction code's LOBPCG eigensolver. This particular mathematical operation is a key element in the solution of systems of equations and block eigensolvers.

Cook, Brandon↗
DOE OSTI2021

2019 Computing Sciences Strategic Plan

Computing has transformed nearly every aspect of scientific inquiry — across disciplines and across scales — from the behavior of subatomic particles to the formation of structures in the early universe, from the assembly of the human genome to the evolution of earth systems. Over the past two decades, computing has become an integral part of how Berkeley Lab is “Bringing Science Solutions to the World.” Advances in computing and mathematics have been key, with new mathematical models of complex physical phenomena, new methods for analyzing complex data, new algorithms for accuracy and scaling and sophisticated software systems that encapsulate these techniques into open, reusable tools. The performance of NERSC computers and the ESnet network have grown by several orders of magnitude, along with our understanding of how to map scientific computations and workflows onto these systems. From research to facility operations, the passion, talent and dedication of the Computing Sciences Area staff has been the cornerstone of our success. The plan outlined in this document describes the next step in a journey to expand the influence and impact of our efforts, building an increasingly connected global enterprise for science that places more powerful instruments in the hands of scientists, along with more powerful methods and tools for modeling, analysis and prediction.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

A detailed analysis of the erythropoietic control system in the human, squirrel, monkey, rat and mouse

The erythropoiesis modeling performed in support of the Body Fluid and Blood Volume Regulation tasks is described. The mathematical formulation of the species independent model, the solutions to the steady state and dynamic versions of the model, and the individual species specific models for the human, squirrel monkey, rat and mouse are outlined. A detailed sensitivity analysis of the species independent model response to parameter changes and how those responses change from species to species is presented. The species to species response to a series of simulated stresses directly related to blood volume regulation during space flight is analyzed.

Nordheim, A. W.↗
NASA NTRS1987

Shape optimization of damping layers

Shape optimization of unconstrained and constrained damping layers is completed. The specific problem analyzed is a cantilever beam loaded at its tip by a harmonic force. Finite element modeling and mathematical programming techniques are used to obtain the solution. Performance measures are taken to be reduction of maximum diplacement and increase in fatigue lifetime. Results include the improvement, over the uniform treatment case, of these measures when the profile of the damping layer is optimized.

Lin, T.-C.↗
NASA NTRS1989

Mechanical response of thick laminated beams and plates subject to out-of-plane loading

The use of simplified elasticity solutions to determine the mechanical response of thick laminated beams and plates subject to out-of-plane loading is demonstrated. Excellent results were obtained which compare favorably with theoretical, numerical and experimental analyses from other sources. The most important characteristic of the solution methodology presented is that it combines great mathematical precision with simplicity. This symbiosis has been needed for design with advanced composite materials.

Hiel, C. C.↗
NASA NTRS1989

An investigation of a mathematical model of an optically pumped Ti(3+):Al2O3 laser system

During the last several years, solid state lasers were developed that have the potential for meeting rigorous performance requirements for space-based remote sensing of the atmosphere. In order to design a stable and efficient laser and to understand the effect on laser output of changes in the physical and design parameters, an understanding of the development of the dynamical processes of the laser is necessary. Typically, the dynamical processes in a laser system are investigated via rate equations describing the evolution of the occupancy in the electronic levels and of the photon density in the laser cavity. There are two approaches to this type of study. Most often, for the sake of simplicity, the spatial variations of the dynamic variables in the laser system are disregarded and the mathematical model consists of a system of first order nonlinear ordinary differential equations (ODE). The second approach is to take into account both spatial and temporal variations in the dynamic variables in the laser cavity. The resulting model consists of a first order semilinear system of partial differential equations (PDE). The model which was studied was studied was generic in the sense that it was a four-level laser system, but the parameters used in the numerical study were specific to Titanium-doped sapphire. For simplicity, a constant, spatially uniform pumping scheme was considered. In addition, a simplification of the model was made so that it treats a single lasing wavelength with a narrow bandwidth. The purpose was to investigate both versions of the mathematical model and to determine whether the numerical solutions are similar both qualitatively and quantitatively. The systems of ordinary differential equations were solved numerically using a Runge-Kutta-Fehlberg algorithm which was very efficient for typical values of the physical parameters. A numerical scheme, based on the Modified Euler method, for computing solutions to the system of partial differential equations was developed and implemented. The PDE model was solved numerically at the expense of greatly increased computer time.

Roberts, Lila F.↗
NASA NTRS1990

Shape optimization and CAD

Structural optimization has attracted the attention since the days of Galileo. Olhoff and Taylor have produced an excellent overview of the classical research within this field. However, the interest in structural optimization has increased greatly during the last decade due to the advent of reliable general numerical analysis methods and the computer power necessary to use them efficiently. This has created the possibility of developing general numerical systems for shape optimization. Several authors, eg., Esping; Braibant & Fleury; Bennet & Botkin; Botkin, Yang, and Bennet; and Stanton have published practical and successful applications of general optimization systems. Ding and Homlein have produced extensive overviews of available systems. Furthermore, a number of commercial optimization systems based on well-established finite element codes have been introduced. Systems like ANSYS, IDEAS, OASIS, and NISAOPT are widely known examples. In parallel to this development, the technology of computer aided design (CAD) has gained a large influence on the design process of mechanical engineering. The CAD technology has already lived through a rapid development driven by the drastically growing capabilities of digital computers. However, the systems of today are still considered as being only the first generation of a long row of computer integrated manufacturing (CIM) systems. These systems to come will offer an integrated environment for design, analysis, and fabrication of products of almost any character. Thus, the CAD system could be regarded as simply a database for geometrical information equipped with a number of tools with the purpose of helping the user in the design process. Among these tools are facilities for structural analysis and optimization as well as present standard CAD features like drawing, modeling, and visualization tools. The state of the art of structural optimization is that a large amount of mathematical and mechanical techniques are available for the solution of single problems. By implementing collections of the available techniques into general software systems, operational environments for structural optimization have been created. The forthcoming years must bring solutions to the problem of integrating such systems into more general design environments. The result of this work should be CAD systems for rational design in which structural optimization is one important design tool among many others.

Rasmussen, John↗
NASA NTRS1995

Shear-induced opening of the coronal magnetic field

This work describes the evolution of a model solar corona in response to motions of the footpoints of its magnetic field. The mathematics involved is semianalytic, with the only numerical solution being that of an ordinary differential equation. This approach, while lacking the flexibility and physical details of full MHD simulations, allows for very rapid computation along with complete and rigorous exploration of the model's implications. We find that the model coronal field bulges upward, at first slowly and then more dramatically, in response to footpoint displacements. The energy in the field rises monotonically from that of the initial potential state, and the field configuration and energy appraoch asymptotically that of a fully open field. Concurrently, electric currents develop and concentrate into a current sheet as the limiting case of the open field is approached. Examination of the equations shows rigorously that in the asymptotic limit of the fully open field, the current layer becomes a true ideal MHD singularity.

Wolfson, Richard↗
NASA NTRS2000

Numerical Calculation of the Drag Force Acting on a Solid Particle Pushed by a Solid/Liquid Interface

The distribution of insoluble particles in a metal casting depends primarily on the interaction of the particles with the solid/liquid interface (SLI) during the solidification process. The balance of the forces acting on the particle essentially determines whether a particle will be engulfed or pushed by the SLI. An important component of this force balance is the drag force generated by the particle motion in front of the SLI. Previously developed mathematical models for particle/SLI interaction made use of steady-state solutions of this force provided by the lubrication theory. However, our numerical model based on the SLI tracking approach shows that the steady-state approach is inappropriate to model the interaction process and that at steady-state the theoretical solution underestimates the drag force. It was found that regression analysis of steady-state numerical solutions for cylindrical particles moving normal to a flat SLI gives a relationship of the form: Abstract The distribution of insoluble particles in a metal casting depends primarily on the interaction of the particles with the solid/liquid interface (SLI) during the solidification process. The balance of the forces acting on the particle essentially determines whether a particle will be engulfed or pushed by the SLI. An important component of this force balance is the drag force generated by the particle motion in front of the SLI. Previously developed mathematical models for particle/SLI interaction made use of steady-state solutions of this force provided by the lubrication theory. However, our numerical model based on the SLI tracking approach shows that the steady-state approach is inappropriate to model the interaction process and that at steady-state the theoretical solution underestimates the drag force. It was found that regression analysis of steady-state numerical solutions for cylindrical particles moving normal to a flat SLI gives a relationship of the form: F(sub D, sup num) =sqoare root of 3(pi)(eta)V(sub p)(R(sub p)/d)(sup 10(gamma)/3). This is to compared to the solution provided by the lubrication theory: F(sub D), sup theor) = 3 square root of 2(pi)(eta)V(sub p)(R(sub p)/d)(sub 3/2), where F(sub D) is the drag force, eta is the dynamic viscosity of the fluid, V(sub p) is the particle velocity, R(sub p) is the particle radius, gamma is Euler's constant (gamma approx. = 0.577), and d is the width of the gap between the particle and the SLI. The domain on which the equations proposed by the lubrication theory are relevant is clearly identified in the paper. The numerical model was then validated against the classical lubrication theory within the domain of its validity.

Catalina, Adrian V.↗
NASA NTRS2003

Detecting Moving Targets by Use of Soliton Resonances

A proposed method of detecting moving targets in scenes that include cluttered or noisy backgrounds is based on a soliton-resonance mathematical model. The model is derived from asymptotic solutions of the cubic Schroedinger equation for a one-dimensional system excited by a position-and-time-dependent externally applied potential. The cubic Schroedinger equation has general significance for time-dependent dispersive waves. It has been used to approximate several phenomena in classical as well as quantum physics, including modulated beams in nonlinear optics, and superfluids (in particular, Bose-Einstein condensates). In the proposed method, one would take advantage of resonant interactions between (1) a soliton excited by the position-and-time-dependent potential associated with a moving target and (2) eigen-solitons, which represent dispersive waves and are solutions of the cubic Schroedinger equation for a time-independent potential.

Zak, Michael↗
NASA NTRS1980

Comments on numerical solution of boundary value problems of the Laplace equation and calculation of eigenvalues by the grid method

The mathematics involved in numerically solving for the plane boundary value of the Laplace equation by the grid method is developed. The approximate solution of a boundary value problem for the domain of the Laplace equation by the grid method consists of finding u at the grid corner which satisfies the equation at the internal corners (u=Du) and certain boundary value conditions at the boundary corners.

Lyusternik, L. A.↗