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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Spatial Correlations of the Poisson Model for Radiation Transport

Characterizing the relationship between bulk physical properties and mixing in randomly heterogeneous media is a central challenge across many areas of science and engineering. A benchmark model for such studies is the Poisson model, a random tessellation of space by a Poisson process of hyperplanes. In radiation transport studies, the lack of exact expressions for the Poisson model’s spatial multipoint functions has led to approximate methods being used, introducing unquantified sources of error. Here, we recently introduced an exact solution for the Poisson model’s multipoint functions and closely related conditional probability functions (CPFs), providing a new opportunity to understand and reduce these sources of error. In this paper, we enable a more rigorous investigation of radiation transport in stochastic media by applying the recently introduced exact solution for the Poisson model’s CPFs. This paper consists of three main contributions. First, we introduce a unified framework for CPFs of the Poisson model, encompassing the recently introduced exact CPFs as well as the previously introduced atomic mix, nearest-neighbor, and combination CPFs. This framework also includes existing pruning techniques for the approximate CPFs, such as angular exclusion, as well as a novel form of angular exclusion suitable for the exact CPFs. Second, we use the exact CPFs to characterize the spatial regions where each approximate three-point CPF is most accurate, thereby explaining the observed hierarchy of accuracy among the approximate models. Finally, we evaluate material transmittance, reflectance, and flux in a three-dimensional test problem using conditional point sampling, demonstrating the relationship between CPF accuracy and transport simulation accuracy.

Poisson model↗
DOE OSTI2021

A stochastic biomass blending problem in decentralized supply chains

Blending biomass materials of different physical or chemical properties provides an opportunity to adjust the quality of the feedstock to meet the specifications of the conversion platform. We propose a model which identifies the right mix of biomass to optimize the performance of the thermochemical conversion process at the mini-mum cost. This is a chance-constraint programming (CCP) model which takes into account the stochastic nature of biomass quality. The proposed CCP model ensures that process requirements, which are impacted by physical and chemical properties of biomass, are met most of the time. We consider two problem settings, a centralized and a decentralized supply chain. We propose a mixed-integer linear program to model the blending problem in the centralized setting and a bilevel program to model the blending problem in the decentralized setting. We use the sample average approximation method to approximate the chance constraints, and propose solution algorithms to solve this approximation. We develop a case study for South Carolina using data provided by the Billion Ton Study. Based on our results, the blends identified consist mainly of pine and softwood residues. The blends identified and the suppliers selected by both models are different. The cost of the centralized supply chain is 2%–6% lower. The implications of these results are twofold. First, these results could lead to improved collaborations in the supply chain. Second, these results provide an estimate of the approximation error from assuming centralized decision making in the supply chain.

09 BIOMASS FUELS↗
DOE OSTI2024

A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions

Neural network wavefunctions optimized using the variational Monte Carlo method have been shown to produce highly accurate results for the electronic structure of atoms and small molecules, but the high cost of optimizing such wavefunctions prevents their application to larger systems. We propose the Subsampled Projected-Increment Natural Gradient Descent (SPRING) optimizer to reduce this bottleneck. SPRING combines ideas from the recently introduced minimum-step stochastic reconfiguration optimizer (MinSR) and the classical randomized Kaczmarz method for solving linear least-squares problems. We demonstrate that SPRING outperforms both MinSR and the popular Kronecker-Factored Approximate Curvature method (KFAC) across a number of small atoms and molecules, given that the learning rates of all methods are optimally tuned. For example, on the oxygen atom, SPRING attains chemical accuracy after forty thousand training iterations, whereas both MinSR and KFAC fail to do so even after one hundred thousand iterations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Emergent quantum mechanics at the boundary of a local classical lattice model

We formulate a model in which quantum mechanics emerges from classical mechanics. Given a local Hamiltonian H acting on n qubits, we define a local classical model with an additional spatial dimension whose boundary dynamics is approximately—but to arbitrary precision—described by Schrödinger's equation and H. The bulk consists of a lattice of classical bits that propagate towards the boundary through a circuit of stochastic matrices. The bits reaching the boundary are governed by a probability distribution whose deviation from the uniform distribution can be interpreted as the quantum-mechanical wave function. Bell nonlocality is achieved because information can move through the bulk much faster than the boundary speed of light. Finally, we analytically estimate how much the model deviates from quantum mechanics, and we validate these estimates using computer simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1999

Determination of Nonlinear Stiffness Coefficients for Finite Element Models with Application to the Random Vibration Problem

In this paper, a method for obtaining nonlinear stiffness coefficients in modal coordinates for geometrically nonlinear finite-element models is developed. The method requires application of a finite-element program with a geometrically non- linear static capability. The MSC/NASTRAN code is employed for this purpose. The equations of motion of a MDOF system are formulated in modal coordinates. A set of linear eigenvectors is used to approximate the solution of the nonlinear problem. The random vibration problem of the MDOF nonlinear system is then considered. The solutions obtained by application of two different versions of a stochastic linearization technique are compared with linear and exact (analytical) solutions in terms of root-mean-square (RMS) displacements and strains for a beam structure.

Muravyov, Alexander A.↗
DOE OSTI2026

A score-based diffusion model approach for adaptive learning of stochastic partial differential equation solutions

In this paper, we propose a novel framework for adaptively learning the time-evolving solutions of stochastic partial differential equations (SPDEs) using score-based diffusion models within a recursive Bayesian inference setting. SPDEs play a central role in modeling complex physical systems under uncertainty, but their numerical solutions often suffer from model errors and reduced accuracy due to incomplete physical knowledge and environmental variability. To address these challenges, we encode the governing physics into the score function of a diffusion model using simulation data and incorporate observational information via a likelihood-based correction in a reverse-time stochastic differential equation. This enables adaptive learning through iterative refinement of the solution as new data becomes available. To improve computational efficiency in high-dimensional settings, we introduce the ensemble score filter, a training-free approximation of the score function designed for real-time inference. Numerical experiments on benchmark SPDEs demonstrate the accuracy and robustness of the proposed method under sparse and noisy observations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Fast and scalable quantum Monte Carlo simulations of electron-phonon models

We introduce methodologies for highly scalable quantum Monte Carlo simulations of electron-phonon models, and report benchmark results for the Holstein model on the square lattice. The determinant quantum Monte Carlo (DQMC) method is a widely used tool for simulating simple electron-phonon models at finite temperatures, but incurs a computational cost that scales cubically with system size. Alternatively, near-linear scaling with system size can be achieved with the hybrid Monte Carlo (HMC) method and an integral representation of the Fermion determinant. Here, we introduce a collection of methodologies that make such simulations even faster. To combat "stiffness" arising from the bosonic action, we review how Fourier acceleration can be combined with time-step splitting. To overcome phonon sampling barriers associated with strongly-bound bipolaron formation, we design global Monte Carlo updates that approximately respect particle-hole symmetry. To accelerate the iterative linear solver, we introduce a preconditioner that becomes exact in the adiabatic limit of infinite atomic mass. Finally, we demonstrate how stochastic measurements can be accelerated using fast Fourier transforms. Here, these methods are all complementary and, combined, may produce multiple orders of magnitude speedup, depending on model details.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Scalable and Memory-Efficient Algorithms for Controlling Networked Epidemic Processes Using Multiplicative Weights Update Method

We study the problem of designing scalable algorithms to find effective intervention strategies for controlling stochastic epidemic processes on networks. This is a common problem arising in agent based models for epidemic spread. Previous approaches to this problem focus on either heuristics with no guarantees or approximation algorithms that scale only to networks corresponding to county-sized populations, typically, with less than a million nodes. In particular, the mathematical-programming based approaches need to solve the Linear Program (LP) relaxation of the problem using an LP solver, which restricts the scalability of this approach. In this work, we overcome this restriction by designing an algorithm that adapts the multiplicative weights update (MWU) framework, along with the sample average approximation (SAA) technique, to approximately solve the linear program (LP) relaxation for the problem. To scale this approach further, we provide a memory-efficient algorithm that enables scaling to large networks, corresponding to country-size populations, with over 300 million nodes and 30 billion edges. Furthermore, we show that this approach provides near-optimal solutions to the LP in practice.

Sambaturu, Prathyush↗
NASA NTRS1983

Rapid rotation and stellar activity in the triple system HD 165590

X-ray and ultraviolet observations of the spectroscopic and visual binary HD 165590 are presented. Results show that the spectroscopic binary component has a period of 0.88 day and a near-solar spectral type. A substantial soft X-ray flux for HD 165590 is also found with an X-ray luminosity of 10 to the 30.6th ergs/sec for the system. No obvious periodicities of less than 0.5 days are detected in the X-ray data, although stochastic variability is present. Observations of the transition region emission lines using the International Ultraviolet Explorer satellites are shown to be consistent with the X-ray data and reveal an approximately 50% variability on the time scale of days. It is concluded that comparisons of the results for HD 165590 with X-ray observations of other late F and G stars demonstrate that rotation-activity scaling relations are useful as gross predictors of X-ray emission.

Stern, R. A.↗
DOE OSTI2020

Thermal fluctuations in the Landau-Lifshitz-Bloch model

A formulation for thermal noise in the stochastic form of the Landau-Lifshitz-Bloch equation used for modeling the magnetization dynamics at elevated temperatures is presented here. The diffusion coefficients for thermal fluctuations are obtained via the Fokker-Plank equation using the mean-field approximation of the field in defining the free energy. The presented model leads to a mean magnetization consistent with the equilibrium magnetization for small and large particles. The distribution of the magnetization magnitude is of the Maxwell-Boltzmann type. The presented model was tested by studying the equilibrium magnetization in macrospin particles at high temperatures. The model is appealing for multiscale modeling, such as modeling heat assisted magnetic recording systems and all-optical magnetization reversal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

On the contribution of a stochastic background of gravitational radiation to the timing noise of pulsars

The influence of a stochastic and isotropic background of gravitational radiation on timing measurements of pulsars is investigated, and it is shown that pulsar timing noise may be used to establish a significant upper limit of about 10 to the -10th on the total energy density of very long-wavelength stochastic gravitational waves. This places restriction on the strength of very long wavelength gravitational waves in the Friedmann model, and such a background is expected to have no significant effect on the approximately 3 K electromagnetic background radiation or on the dynamics of a cluster of galaxies.

Mashhoon, B.↗
NASA NTRS1991

Simulation of the Kolmogorov inertial subrange using an improved subgrid model

A subgrid model is developed and applied to a large-eddy simulation of the Kolmogorov inertial subrange. The subgrid model is based directly on a model of the Navier-Stokes equation. The improved subgrid model contains two terms: an eddy viscosity and a stochastic force. Use of the subgrid model in a forced large-eddy simulation results in an energy spectrum that exhibits a clear k exp -5/3 power-law subrange with an approximate value K(o) = 2.1 of the Kolmogorov constant.

Chasnov, Jeffrey R.↗
NASA NTRS2019

Electron Scattering by Low-frequency Whistler Waves at Earth’s Bow Shock

Electrons are accelerated to nonthermal energies at shocks in space and astrophysical environments. While shock drift acceleration (SDA) has been considered a key process of electron acceleration at Earth’s bow shock, it has also been recognized that SDA needs to be combined with an additional stochastic process to explain the observed power-law energy spectra. Here, we show mildly energetic (∼0.5 keV) electrons are locally scattered (and accelerated while being confined) by magnetosonic-whistler waves within the shock transition layer, especially when the shock angle is large (θ(sub Bn) approximately equal or greater than 70°). When measured by the Magnetospheric Multiscale mission at a high cadence, ∼0.5 keV electron flux increased exponentially in the shock transition layer. However, the flux profile was not entirely smooth and the fluctuation showed temporal/spectral association with large-amplitude (δB/B ~ 0.3), low-frequency (approximately equal or less than 0.1 Ω(sub ce) where Ω(sub ce) is the cyclotron frequency), obliquely propagating (θ(sub kB) ~ 30°–60°, where θ(sub kB) is the angle between the wave vector and background magnetic field) whistler waves, indicating that the particles were interacting with the waves. Particle simulations demonstrate that, although linear cyclotron resonances with ∼0.5 keV electrons are unlikely due to the obliquity and low frequencies of the waves, the electrons are still scattered beyond 90° pitch angle by (1) resonant mirroring (transit-time damping), (2) non-resonant mirroring, and (3) subharmonic cyclotron resonances. Such coupled nonlinear scattering processes are likely to provide the stochasticity needed to explain the power-law formation.

Oka, M.↗
NASA NTRS2003

Stochastic Mixing Model with Power Law Decay of Variance

Here we present a simple stochastic mixing model based on the law of large numbers (LLN). The reason why the LLN is involved in our formulation of the mixing problem is that the random conserved scalar c = c(t,x(t)) appears to behave as a sample mean. It converges to the mean value mu, while the variance sigma(sup 2)(sub c) (t) decays approximately as t(exp -1). Since the variance of the scalar decays faster than a sample mean (typically is greater than unity), we will introduce some non-linear modifications into the corresponding pdf-equation. The main idea is to develop a robust model which is independent from restrictive assumptions about the shape of the pdf. The remainder of this paper is organized as follows. In Section 2 we derive the integral equation from a stochastic difference equation describing the evolution of the pdf of a passive scalar in time. The stochastic difference equation introduces an exchange rate gamma(sub n) which we model in a first step as a deterministic function. In a second step, we generalize gamma(sub n) as a stochastic variable taking fluctuations in the inhomogeneous environment into account. In Section 3 we solve the non-linear integral equation numerically and analyze the influence of the different parameters on the decay rate. The paper finishes with a conclusion.

Fedotov, S.↗
NASA NTRS1991

Compensator design for stability enhancement with collocated controllers

A continuum model rather than a finite element model is used. The optimal compensator design is formulated as a stochastic regulator problem and is shown to be solvable by the general infinite-dimensional theory developed by the author despite the lack of exponential stabilizability. Infinite-dimensional steady-state Riccati equations characterizing the feedback control gain and the Kalman filter gain operators can be solved explicitly. The associated performance indexes including the mean-square control-effort are calculated in closed form. As a first approximation, the compensator transfer function can be realized as a bank of bandpass filters in parallel centered at the undamped mode frequencies. Numerical calculations for the gain and bandwidths for a typical configuration are presented. The performance of the compensator is evaluated when in fact in the true model there is no actuator noise. The theoretical problem involved is to show that the infinite-dimensional stochastic process is asymptotically stationary. It is possible to calculate the steady-state covariance in closed form and thereby calculate performance indexes of interest explicitly, facilitating the choice of optimal design parameters.

Balakrishnan, A. V.↗
DOE OSTI2023

Calculation of Dynamical Response Functions Using a Bound-State Method

Abstract We investigate a method to extract response functions (dynamical polarisabilities) directly from a bound-state approach applied to calculations of perturbation-induced reactions. The use of a square-integrable basis leads to a response in the form of a sum of $$\delta $$ δ functions. We integrate this over energy and fit a smooth function to the resulting stepwise-continuous one. Its derivative gives the final approximation to the physical response function. We show that the method reproduces analytical results where known, and analyse the details for a variety of models. We apply it to some simple models, using the stochastic variational method as the numerical method. Albeit we find that this approach, and other numerical techniques, have some difficulties with the threshold behavior in coupled-channel problems with multiple thresholds, its stochastic nature allows us to extract robust results even for such cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Grid-based diffusion Monte Carlo for fermions without the fixed-node approximation

A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an uncontrolled bias. This is achieved by confining signed random walkers to the points of a uniform infinite spatial grid, allowing them to meet and annihilate one another to establish the nodal structure without the fixed-node approximation. An imaginary-time propagator is derived rigorously from a discretized Hamiltonian, governing a non-Gaussian, sign-flipping, branching, and mutually annihilating random walk of particles. The accuracy of the resulting stochastic representations of a fermion wave function is limited only by the grid and imaginary-time resolutions and can be improved in a controlled manner. Here, the method is tested for a series of model problems including fermions in a harmonic trap as well as the He atom in its singlet or triplet ground state. For the latter case, the energies approach from above with increasing grid resolution and converge within 0.015 E h of the exact basis-set-limit value for the grid spacing of 0.08 a.u. with a statistical uncertainty of 10 –5 E h without an importance sampling or Jastrow factor.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Endogenizing Probabilistic Resource Adequacy Risks in Deterministic Capacity Expansion Models

In this work, we demonstrate how power system capacity expansion models can understate the stochastic effects of thermal outages when considering resource availabilities on an hourly expected value basis, yielding system designs with multiple orders of magnitude more shortfall risk than stated adequacy targets. We develop a novel approximation approach to efficiently endogenize awareness of this risk in a deterministic, linear capacity expansion framework. We compare this approach to exogenous tuning of an energy reserve margin, the leading alternative method to compensate for unmodeled probabilistic shortfall risk. Empirical results from a test system show that the new endogenous method cost-effectively meets all regional reliability targets with a single optimization solve, and produces a near-identical system design as the incumbent method without the need for repeated re-optimizations to find an appropriate reserve level. The endogenous method may also use iterative re-optimizations to further improve solution quality, although these incremental benefits were modest in the system studied.

capacity expansion modeling↗