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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 343 records · Page 19

The development of an interim generalized gate logic software simulator

A proof-of-concept computer program called IGGLOSS (Interim Generalized Gate Logic Software Simulator) was developed and is discussed. The simulator engine was designed to perform stochastic estimation of self test coverage (fault-detection latency times) of digital computers or systems. A major attribute of the IGGLOSS is its high-speed simulation: 9.5 x 1,000,000 gates/cpu sec for nonfaulted circuits and 4.4 x 1,000,000 gates/cpu sec for faulted circuits on a VAX 11/780 host computer.

Mcgough, J. G.↗

Scheduling Earth Observing Satellites with Evolutionary Algorithms

We hypothesize that evolutionary algorithms can effectively schedule coordinated fleets of Earth observing satellites. The constraints are complex and the bottlenecks are not well understood, a condition where evolutionary algorithms are often effective. This is, in part, because evolutionary algorithms require only that one can represent solutions, modify solutions, and evaluate solution fitness. To test the hypothesis we have developed a representative set of problems, produced optimization software (in Java) to solve them, and run experiments comparing techniques. This paper presents initial results of a comparison of several evolutionary and other optimization techniques; namely the genetic algorithm, simulated annealing, squeaky wheel optimization, and stochastic hill climbing. We also compare separate satellite vs. integrated scheduling of a two satellite constellation. While the results are not definitive, tests to date suggest that simulated annealing is the best search technique and integrated scheduling is superior.

Globus, Al↗

Simulation of DNA Damage in Human Cells from Space Radiation Using a Physical Model of Stochastic Particle Tracks and Chromosomes

The formation of double-strand breaks (DSBs) and chromosomal aberrations (CAs) is of great importance in radiation research and, specifically, in space applications. We are presenting a recently developed model, in which chromosomes simulated by NASARTI (NASA Radiation Tracks Image) is combined with nanoscopic dose calculations performed with the Monte-Carlo simulation by RITRACKS (Relativistic Ion Tracks) in a voxelized space. The model produces the number of DSBs, as a function of dose for high-energy iron, oxygen, and carbon ions, and He ions. The combined model calculates yields of radiation-induced CAs and unrejoined chromosome breaks in normal and repair deficient cells. The merged computational model is calibrated using the relative frequencies and distributions of chromosomal aberrations reported in the literature. The model considers fractionated deposition of energy to approximate dose rates of the space flight environment. The merged model also predicts of the yields and sizes of translocations, dicentrics, rings, and more complex-type aberrations formed in the G0/G1 cell cycle phase during the first cell division after irradiation.

Ponomarev, Artem↗

Stochastic Convection Parameterizations

computational fluid dynamics, radiation, clouds, turbulence, convection, gravity waves, surface interaction, radiation interaction, cloud and aerosol microphysics, complexity (vegetation, biogeochemistry, radiation versus turbulence/convection stochastic approach, non-linearities, Monte Carlo, high resolutions, large-Eddy Simulations, cloud structure, plumes, saturation in tropics, forecasting, parameterizations, stochastic, radiation-clod interaction, hurricane forecasts

atmospheric models↗

Magnetism and magnetotransport in the kagome antiferromagnet Mn 3 Ge

We perform classical Monte Carlo and stochastic Landau-Lifshitz-Gilbert simulations to study the temperature-dependent magnetism of the kagome antiferromagnet Weyl metal Mn3Ge, and we find that a long-range chiral order sets in at a transition temperature well below the Neel temperature (T N ). Based on the crystalline symmetries imposed by the chiral magnetic order, we argue for the presence of multiple isoenergetic Weyl nodes (nodes that are at the same energy and with a congruent Fermi surface around them) near the chemical potential. Using the semiclassical Boltzmann equations, we show that the combined contribution to the net longitudinal magnetoconductance (LMC) and the planar Hall conductance (PHC) from tilted Weyl nodes can lead to signatures that are qualitatively distinct from that of a single pair of Weyl nodes. In particular, we show that magnetic orders with different chiralities can give rise to different periods in LMC and PHC as a function of the in-plane magnetic field direction. As a result, this is ultimately related to differences in the symmetry-imposed constraints on the Weyl nodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Coarsening dynamics of Ising-nematic order in a frustrated Heisenberg antiferromagnet

We study the phase ordering dynamics of the classical antiferromagnetic 𝐽 1 −𝐽 2 (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime (𝐽 2 /𝐽 1 > 1/2). While thermal fluctuations preclude any long-range magnetic order at finite temperatures, the system exhibits a long-range spin-driven nematic phase at low temperatures. The transition into the nematic phase is further shown to belong to the two-dimensional Ising universality class based on the critical exponents near the phase transition. Our large-scale stochastic Landau-Lifshitz-Gilbert simulations find a two-stage phase ordering when the system is quenched from a high-temperature paramagnetic state into the nematic phase. In the early stage, collinear alignments of spins lead to a locally saturated Ising-nematic order. Once domains of well-defined Ising order are developed, the late-stage relaxation is dominated by curvature-driven domain coarsening, as described by the Allen-Cahn equation. The characteristic size of Ising-nematic domains scales as the square root of time, similar to the kinetic Ising model described by the time-dependent Ginzburg-Landau theory. Our results confirm that the late-stage ordering kinetics of the spin-driven nematic, which is a vestigial order of the frustrated Heisenberg model, belongs to the dynamical universality class of a nonconserved Ising order. Interestingly, the system shows no violation of the superuniversality hypothesis under weak bond disorder. The dynamic scaling invariance is preserved in the presence of weak bond disorder. Here, we also discuss possible applications of our results to materials for which vestigial Ising-nematic order is realized.

Antiferromagnets↗

BISON Fuel Fragmentation Relocation and Dispersal (FFRD) Assessment Database for Eventual Use in Bayesian Calibration

Existing light-water reactor (LWR) fuel vendors have been interested in seeking increased discharge burnups of nuclear fuel rods for improved economics for quite a few years. With increased burnups come additional challenges that must be addressed. It has been experimentally observed that average burnups higher than the current regulatory limit of 62 MWd/kgU may undergo fuel fragmentation, relocation, and dispersal (FFRD) during a loss-of-coolant accident (LOCA). Industry must demonstrate approaches to mitigate FFRD. In an effort to support industry, the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program within the U.S. Department of Energy (DOE) has for several years invested in developing multiscale models and creating a validation/assessment database for these models to study the mechanisms driving FFRD. This report provides an update on changes made to the assessment database and new models added to BISON to support the study of fuel rod behavior during FFRD. An effort has been initiated this year to begin adding dedicated inputs to the publicly available Virtual Test Bed (VTB) repository for industry use. A section of this report details the efforts made in this area. NEAMS has recently developed new capabilities in the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework’s stochastic tools module for calibration using Bayesian inference. The goal in the future is to use these capabilities to calibrate and identify weaknesses in the existing BISON models for FFRD. The report concludes with a discussion on the models most likely to benefit the most from such calibration.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Adaptive Optimizer for Measurement-Frugal Variational Algorithms

Variational hybrid quantum-classical algorithms (VHQCAs) have the potential to be useful in the era of near-term quantum computing. However, recently there has been concern regarding the number of measurements needed for convergence of VHQCAs. Here, we address this concern by investigating the classical optimizer in VHQCAs. We introduce a novel optimizer called individual Coupled Adaptive Number of Shots (iCANS). This adaptive optimizer frugally selects the number of measurements (i.e., number of shots) both for a given iteration and for a given partial derivative in a stochastic gradient descent. We numerically simulate the performance of iCANS for the variational quantum eigensolver and for variational quantum compiling, with and without noise. In all cases, and especially in the noisy case, iCANS tends to out-perform state-of-the-art optimizers for VHQCAs. We therefore believe this adaptive optimizer will be useful for realistic VHQCA implementations, where the number of measurements is limited.

97 MATHEMATICS AND COMPUTING↗

Comprehensive modeling of turbulent particulate flows using Eulerian and Lagrangian schemes

This paper addresses turbulent particle dispersion and modulation effects in dilute gas-particle turbulent flows using the Eulerian and Lagrangian modeling approaches. Gradient diffusion approximations are employed in the Eulerian formulation, while a stochastic procedure is utilized to simulate turbulent dispersion in the Lagrangian formulation. The k-epsilon turbulence model is used to characterize the time and length scales of the continuous phase turbulence. For the particle size and loading considered, the turbulence transport equations must be modified to account for the modulation effects. Models are proposed for both Eulerian and Lagrangian schemes. Comparisons and predictions are made in fully developed gas-solid pipe flow and confined coaxial jets laden with particles. For the monodispersed system investigated, Eulerian approach is less expensive and gives more consistent results than the Lagrangian approach. The Lagrangian technique should be further developed to eliminate current inherent inconsistencies especially with regard to the symmetry boundary condition.

Adeniji-Fashola, A.↗

Modeling of confined turbulent fluid-particle flows using Eulerian and Lagrangian schemes

Two important aspects of fluid-particulate interaction in dilute gas-particle turbulent flows (the turbulent particle dispersion and the turbulence modulation effects) are addressed, using the Eulerian and Lagrangian modeling approaches to describe the particulate phase. Gradient-diffusion approximations are employed in the Eulerian formulation, while a stochastic procedure is utilized to simulate turbulent dispersion in the Lagrangina formulation. The k-epsilon turbulence model is used to characterize the time and length scales of the continuous phase turbulence. Models proposed for both schemes are used to predict turbulent fully-developed gas-solid vertical pipe flow with reasonable accuracy.

Adeniji-Fashola, A.↗

A Scheduling Algorithm for Replicated Real-Time Tasks

We present an algorithm for scheduling real-time periodic tasks on a multiprocessor system under fault-tolerant requirement. Our approach incorporates both the redundancy and masking technique and the imprecise computation model. Since the tasks in hard real-time systems have stringent timing constraints, the redundancy and masking technique are more appropriate than the rollback techniques which usually require extra time for error recovery. The imprecise computation model provides flexible functionality by trading off the quality of the result produced by a task with the amount of processing time required to produce it. It therefore permits the performance of a real-time system to degrade gracefully. We evaluate the algorithm by stochastic analysis and Monte Carlo simulations. The results show that the algorithm is resilient under hardware failures.

Yu, Albert C.↗

Comment on “Brownian motion of droplets induced by thermal noise”

We simulate phase separated fluids using the Cahn-Hillard fluctuating hydrodynamic (CH-FHD) model and measure the statistical properties of capillary waves generated by thermal fluctuations. Our measurements are in good agreement with stochastic lubrication theory and molecular dynamics simulations but differ significantly from recent CH-FHD results by Zhang et al. [Phys. Rev. E 109, 024208 (2024)2470-004510.1103/PhysRevE.109.024208]. Specifically, we find that capillary wave statistics at thermodynamic equilibrium are independent of transport properties, namely viscosity and species diffusion.

Bell, J B↗

Derivative-free stochastic optimization via adaptive sampling strategies

In this paper, we present a novel derivative-free framework for solving unconstrained stochastic optimization problems. Many problems in fields ranging from simulation optimization to reinforcement learning to quantum computing involve settings where only stochastic function values are obtained via a zeroth-order oracle, which has no available gradient information and necessitates the usage of derivative-free optimization methodologies. Our approach includes estimating gradients using stochastic function evaluations and integrating adaptive sampling techniques to control the accuracy in these stochastic approximations. Our framework encapsulates several gradient estimation techniques, including standard finite-difference, Gaussian smoothing, sphere smoothing, randomized coordinate finite-difference, and randomized subspace finite-difference methods. We provide theoretical convergence guarantees for our framework and analyze the worst-case iteration and sample complexities associated with each gradient estimation method. Finally, we demonstrate the empirical performance of the methods on logistic regression and nonlinear least squares problems.

Adaptive sampling↗

Optimization of Operations Resources via Discrete Event Simulation Modeling

The resource levels required for operation and support of reusable launch vehicles are typically defined through discrete event simulation modeling. Minimizing these resources constitutes an optimization problem involving discrete variables and simulation. Conventional approaches to solve such optimization problems involving integer valued decision variables are the pattern search and statistical methods. However, in a simulation environment that is characterized by search spaces of unknown topology and stochastic measures, these optimization approaches often prove inadequate. In this paper, we have explored the applicability of genetic algorithms to the simulation domain. Genetic algorithms provide a robust search strategy that does not require continuity and differentiability of the problem domain. The genetic algorithm successfully minimized the operation and support activities for a space vehicle, through a discrete event simulation model. The practical issues associated with simulation optimization, such as stochastic variables and constraints, were also taken into consideration.

Joshi, B.↗

Material Variability Effects on Damage Development Within Composite Adhesively Bonded Joints

Use of composite adhesively bonded joints (ABJ) is of critical importance to the adoption of composite materials in the automotive industry, as ABJ enable lower stress concentrations as compared to conventional mechanically fastened joints. ABJ are better suited for joining composite materials as compared to fastened joints because fastened joints require drilling of holes which locally affect composite material structure. Composite materials and adhesives are subject to unavoidable stochastic local material variations which make different failure scenarios possible. An experimentally tested ABJ configuration is simulated using finite element analysis (FEA). Experimentally, under tension, the joints failed by three major failure modes, with peak loads ranging from 13.0-16.1 kips. Progressive failure analysis tools are used to simulate damage development within each material within the joint. The simulation agreed well with the average experimental peak load. Stochastically occurring adhesive porosity and matrix-fiber micro-disbonding were numerically simulated. The simulations revealed a similar trend as observed experimentally: joints which failed at higher peak loads had lower levels of damage within the face-sheets of the composite panels which were adhesively bonded; these joints which failed at higher peak loads also had greater damage in the doubler of the experimentally tested double lap joint configuration.

Richard Larson↗

Formulation and solution approach for calibrating activity-based travel demand model-system via microsimulation

This study addresses the problem of calibrating utility-maximizing nested logit activity-based travel demand model-systems. After estimation, it is common practice to use aggregate measurements to calibrate the estimated model-system’s parameters prior to their application in transportation planning, policy making, and operations. However, calibration of activity-based model-systems has received much less attention. Existing calibration approaches are myopic heuristics in the sense that they do not consider the fundamental inter-dependencies among choice-models and do not have a systematic way to adjust model parameters. Also, other purely simulation-based approaches do not perform well in large-scale applications. In this study, we focus on utility-maximizing nested logit activity-based model-systems and calibrating aggregate statistics such as activity shares, mode shares, time-dependent & mode-specific OD flows, and time-dependent & mode-specific sensor counts. We formulate the calibration problem as a simulation-based optimization problem and propose a stochastic gradient-based solution procedure to solve it. The solution procedure relies on microsimulation to calculate expectations of the aggregate statistics of interest to the calibration problem. Additionally, we derive approximate analytical expressions for the gradient of the objective function —that are evaluated through microsimulation on mini-batches of the population. The proposed solution procedure is sensitive to the fundamental structure of the activity-based model-system and is non-myopic in considering the dependencies across its model components. The formulated optimization problem is non-convex, highly nonlinear, and potentially has multiple-minima. Lastly, we show —through a real-world application— that the proposed solution procedure outperforms other state-of-the-art purely simulation-based optimization approaches in terms of computational efficiency, stability, and convergence. We also compare various gradient-based solution algorithms to determine the best algorithm to update the parameters. This work has the potential to facilitate wider and easier application of activity-based model-systems.

97 MATHEMATICS AND COMPUTING↗