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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
NASA NTRS2001

Entropy generation method to quantify thermal comfort

The present paper presents a thermodynamic approach to assess the quality of human-thermal environment interaction and quantify thermal comfort. The approach involves development of entropy generation term by applying second law of thermodynamics to the combined human-environment system. The entropy generation term combines both human thermal physiological responses and thermal environmental variables to provide an objective measure of thermal comfort. The original concepts and definitions form the basis for establishing the mathematical relationship between thermal comfort and entropy generation term. As a result of logic and deterministic approach, an Objective Thermal Comfort Index (OTCI) is defined and established as a function of entropy generation. In order to verify the entropy-based thermal comfort model, human thermal physiological responses due to changes in ambient conditions are simulated using a well established and validated human thermal model developed at the Institute of Environmental Research of Kansas State University (KSU). The finite element based KSU human thermal computer model is being utilized as a "Computational Environmental Chamber" to conduct series of simulations to examine the human thermal responses to different environmental conditions. The output from the simulation, which include human thermal responses and input data consisting of environmental conditions are fed into the thermal comfort model. Continuous monitoring of thermal comfort in comfortable and extreme environmental conditions is demonstrated. The Objective Thermal Comfort values obtained from the entropy-based model are validated against regression based Predicted Mean Vote (PMV) values. Using the corresponding air temperatures and vapor pressures that were used in the computer simulation in the regression equation generates the PMV values. The preliminary results indicate that the OTCI and PMV values correlate well under ideal conditions. However, an experimental study is needed in the future to fully establish the validity of the OTCI formula and the model. One of the practical applications of this index is that could it be integrated in thermal control systems to develop human-centered environmental control systems for potential use in aircraft, mass transit vehicles, intelligent building systems, and space vehicles.

Models, Biological↗
DOE OSTI2025

CUDO: closed-form universal dwell-time optimization for computer-controlled optical surfacing

Precision optical figuring demands fast and accurate dwell time optimization to reach nanometer- and sub-nanometer-level accuracy in next-generation optical systems. We introduce CUDO (closed-form universal dwell-time optimization), the first, to the best of our knowledge, unified closed-form analytical framework that supports both function-form and matrix-form dwell time models in computer-controlled optical surfacing (CCOS). In contrast to traditional methods, which rely on iterative optimization and hyperparameter tuning, our framework derives direct analytical solutions with no adjustable parameters. This approach unifies the solution principles of existing methods within a single mathematical model, delivering three key advantages: (1) accuracy on par with, or superior to, iterative solvers, (2) substantial reduction in computation time, and (3) numerical robustness. Comparative studies with prior art confirm that closed-form solutions achieve equivalent residual error while removing runtime bottlenecks. By simplifying the implementation and enabling real-time, scalable deployment, CUDO establishes a practical foundation for future deterministic fabrication of large-aperture and high-performance optics.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Interpolating Fields of Carbon Monoxide Data Using a Hybrid Statistical-Physical Model

Atmospheric Carbon Monoxide (CO) is a pollutant gas of which the US congress has mandated regular monitoring, and satellite sensors can be used to retrieve regional concentrations of CO over several vertical layers. However, CO at cloudy locations cannot be observed and have to be estimated from the observed data set, resulting in an interpolation problem. The current state-of-the-art solution is to combine prior information, computed by a deterministic physical model, with observations. However, the deterministic model may introduce uncertainties that do not derive from the data. While sharing certain features with the physical model, this paper presents a Bayesian hierarchical model for interpolating CO on a 3-dimensional spatial grid, across time. To our knowledge such a model has not been considered before. The model is applied to a hypothetical air-quality monitoring scenario, and is compared to existing interpolation methods. The results provide motivation for the use of the statistical model for regional to local applications.

Arellano, A. A.↗
DOE OSTI2021

GANISP (GAN-assisted Importance SPlitting)

Genealogical importance splitting marches towards a rare event by iteratively selecting and replicating realizations that are headed towards a rare event. The replication step is made difficult when applied to deterministic systems as the initial conditions of the offspring realizations need to be adjusted. Typically, a random perturbation is applied to the offspring. For some cases, this cloning technique may not be adequate and prevent variance reduction in the probability estimate. A GAN-based replication process is proposed to address this limitation. The perturbations applied to the clones are physically consistent instead of being randomly chosen. The proposed method allows reducing the variance in the probability estimation.

Hassanaly, Malik↗
DOE OSTI2023

Probabilistic-learning-based stochastic surrogate model from small incomplete datasets for nonlinear dynamical systems

We consider a high-dimensional nonlinear computational model of a dynamical system, parameterized by a vector-valued control parameter, in the presence of uncertainties represented by an uncontrolled parameter modeled by a vector-valued random variable, and possibly with stochastic excitation. The objective is to construct a statistical surrogate model where the input is any deterministic value of the control parameter, and the output is a vector-valued observation of the computational model, which is a random vector whose probability measure is updated using a target dataset. To construct this statistical surrogate model, the stochastic response of the computational model must be built, which is a vector-valued time-discretized stochastic process in high dimension, depending on the control parameter. It is assumed that the computational cost of a single evaluation of the deterministic model is high. For the probabilistic updating, we consider a subset of the components of the observation of the computational model, defined as the “identification observation” of the computational model, for which a small target dataset is available. Therefore, the target dataset is associated with partial observability, corresponding to an incomplete data case. Given a prior probability model of the random control and uncontrolled parameters, a training dataset is constructed, consisting of realizations of the random triplet composed of the stochastic response, the random identification observation, and the random control parameter. Since the computational cost of a single evaluation of the deterministic model is assumed to be large, the training dataset is also of small size. The main challenges in this problem are the high dimensionality, partial observability leading to incomplete data in the target dataset for the identification observation of the computational model (which is not sufficient to identify the computational stochastic responses), and the availability of a small training dataset. To address these challenges, we propose a methodology based on statistical methods for constructing necessary reduced representations, direct probabilistic learning under constraints using probabilistic learning on manifolds (PLoM) constrained by the target dataset, and the use of a weak formulation of the Fourier transform of probability measures. Statistical conditioning is also employed to explore the learned dataset. The constructed predictive statistical surrogate model can be implemented in the context of online computation. Here, we apply this approach to a problem of nonlinear stochastic dynamics in high dimensions within the framework of deformable solids mechanics.

Engineering↗
DOE OSTI2020

Evaluation of ASCE 4-16 and AISC 43-18 (Draft) for use in the Risk-Informed Performance-Based Seismic Design of Nuclear Power Plant Structures, Systems, and Components

This report describes the assessment of ASCE Standards 4-16 and 43-18 (Draft) for use in the Risk-Informed Performance-Based (RIPB) seismic design of structures, systems, and components (SSCs) at nuclear power plants. This work was performed for the U.S. Nuclear Regulatory Commission (NRC) Office of Regulatory Research (RES), to support potential endorsement of these industry standards for the design of nuclear power plants based on the RIPB approach. Currently, the NRC endorses a deterministic design approach for demonstrating the design adequacy of SSCs based on the Standard Review Plan (NUREG-0800) and NRC Regulatory Guides. In the RIPB approach, the design criteria are developed to achieve a target performance goal, which is defined by the annual frequency of occurrence of the design basis earthquake (i.e., Seismic Design Category) and the acceptable level of structural performance (i.e., Limit State) for the SSCs. ASCE 4-16 provides methods for performing a seismic analysis of structures to obtain the seismic response of these structures (e.g., building displacements, accelerations, in-structure response spectra) which are used in the design of the SSCs. It also provides methods for performing seismic analysis of SSCs to determine the seismic demands (e.g. member forces and displacements) needed to design individual SSCs. ASCE 43-18 (Draft) provides the criteria for the seismic design of SSCs using the seismic demands developed in ASCE 4-16. The use of ASCE Standard 43-18 (Draft), along with ASCE 4-16, provides the criteria for the seismic design of the SSCs. ASCE 43-18 (DRAFT) relies on other consensus codes and standards such as ACI 349 for reinforced concrete, AISC/N690 for steel structures, ASME Section III for pressure-retaining mechanical components and Containments, and IEEE-344 for Class 1E equipment. The goal of this technical review was to assess the adequacy of the provisions in these standards for use by the NRC in developing regulatory guidance for design of SSCs in nuclear power plants, based on the RIPB approach. The research reported herein describes the basis for acceptance of the new standards and identifies areas where additional staff guidance is needed for the seismic design of SSCs at nuclear power plants. This technical review has determined that ASCE 4-16 and ASCE 43-18 (Draft) provide an appropriate framework for the seismic design of SSCs at nuclear power plants using a Risk-Informed Performance-Based approach. However, some of the criteria therein warrant exceptions, qualifications, and/or clarifications.

42 ENGINEERING↗
DOE OSTI2021

Randomized Algorithms for Scientific Computing (RASC)

Randomized algorithms have propelled advances in artificial intelligence (AI) and represent a foundational research area in advancing AI for Science. Future advancements in DOE Office of Science priority areas such as climate science, astrophysics, fusion, advanced materials, combustion, and quantum computing all require randomized algorithms for surmounting challenges of complexity, robustness, and scalability. Advances in data collection and numerical simulation have changed the dynamics of scientific research and motivate the need for randomized algorithms. For instance, advances in imaging technologies such as X-ray ptychography, electron microscopy, electron energy loss spectroscopy, or adaptive optics lattice light-sheet microscopy collect hyperspectral imaging and scattering data in terabytes, at breakneck speed enabled by state-of-the-art detectors. The data collection is exceptionally fast compared with its analysis. Likewise, advances in high-performance architectures have made exascale computing a reality and changed the economies of scientific computing in the process. Floating-point operations that create data are essentially free in comparison with data movement. Thus far, most approaches have focused on creating faster hardware. Ironically, this faster hardware has exacerbated the problem by making data still easier to create. Under such an onslaught, scientists often resort to heuristic deterministic sampling schemes (e.g., low-precision arithmetic, sampling every nth element) and sacrifice potentially valuable accuracy. Dramatically better results can be achieved via randomized algorithms, reducing the data size as much as or more than naive deterministic subsampling can achieve, while retaining the high accuracy of computing on the full data set. By randomized algorithms we mean those algorithms that employ some form of randomness in internal algorithmic decisions to accelerate time to solution, increase scalability, or improve reliability. Examples include matrix sketching for solving large-scale least-squares problems (see Figure 1) and stochastic gradient descent for training machine learning models. We are not recommending heuristic methods but rather randomized algorithms that have certificates of correctness and probabilistic guarantees of optimality and near-optimality. Such approaches can be useful beyond acceleration, for example, in understanding how to avoid measure zero worst-case scenarios that plague methods such as QR matrix factorization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

E-PVT: enhanced position-velocity-time scheduler for computer-controlled optical finishing with comprehensive considerations of dynamics constraints, continuity and efficiency

Deterministic computer-controlled optical finishing is an essential approach for achieving high-quality optical surfaces. Its determinism and convergence rely heavily on precise and smooth motion control to guide the machine tool over an optical surface to correct residual errors. One widely supported and smooth motion control model is position-velocity-time (PVT), which employs piecewise cubic polynomials to describe positions. Our prior research introduced a PVT-based velocity scheduling method, demonstrating sub-nanometer level convergence in ion beam figuring (IBF) processes. However, three challenges remained. Firstly, this method relies on quadratic programming, resulting in computational intensiveness for dense tool paths. Secondly, the dynamics constraints and velocity and acceleration continuities are not comprehensively considered, limiting the full potential of PVT-based control. Thirdly, no compensation mechanism existed when dynamics constraints are exceeded. In this study, in response to these challenges, we proposed the Enhanced PVT (E-PVT) method, reducing the time complexity from O ( n 3 ) to O ( n ) while fully addressing dynamics constraints and continuities. A novel compensation method utilizing particle swarm optimization was proposed to address situations where dynamics constraints might be exceeded while maintaining the overall processing efficiency. Validation through simulation and experimentation confirmed the improved performance of E-PVT.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Numerical solution of random singular integral equation appearing in crack problems

The solution of several elasticity problems, and particularly crack problems, can be reduced to the solution of one-dimensional singular integral equations with a Cauchy-type kernel or to a system of uncoupled singular integral equations. Here a method for the numerical solution of random singular integral equations of Cauchy type is presented. The solution technique involves a Chebyshev series approximation, the coefficients of which are the solutions of a system of random linear equations. This method is applied to the problem of periodic array of straight cracks inside an infinite isotropic elastic medium and subjected to a nonuniform pressure distribution along the crack edges. The statistical properties of the random solution are evaluated numerically, and the random solution is used to determine the values of the stress-intensity factors at the crack tips. The error, expressed as the difference between the mean of the random solution and the deterministic solution, is established. Values of stress-intensity factors at the crack tip for different random input functions are presented.

Sambandham, M.↗
NASA NTRS2020

Designing Trajectories Resilient to Missed Thrust Events Using Expected Thrust Fraction

With the adoption of efficient low-thrust propulsion methods, the probability of a missed thrust event occurring has become a significant concern for short and long- duration missions. If the missed thrust events take place during a critical portion of the trajectory, the mission can be compromised. Therefore, it is essential to de- velop trajectories that are resilient to missed thrust events. This paper investigates the use of expected thrust fraction, which embeds the stochastic nature of missed thrust events into a deterministic optimal control problem. The performance of trajectories designed using expected thrust fraction is compared with traditionally designed trajectories to measure changes in resiliency to missed thrust events. In this investigation, trajectories designed using expected thrust fraction arrive with a median lateness half that of traditionally designed trajectories. Using expected thrust fraction can help astrodynamicists mitigate risks posed by the use of low- thrust propulsion.

Laipert, Frank E.↗
NASA NTRS2002

Effect of Random Geometric Uncertainty on the Computational Design of a 3-D Flexible Wing

The effect of geometric uncertainty due to statistically independent, random, normally distributed shape parameters is demonstrated in the computational design of a 3-D flexible wing. A first-order second-moment statistical approximation method is used to propagate the assumed input uncertainty through coupled Euler CFD aerodynamic / finite element structural codes for both analysis and sensitivity analysis. First-order sensitivity derivatives obtained by automatic differentiation are used in the input uncertainty propagation. These propagated uncertainties are then used to perform a robust design of a simple 3-D flexible wing at supercritical flow conditions. The effect of the random input uncertainties is shown by comparison with conventional deterministic design results. Sample results are shown for wing planform, airfoil section, and structural sizing variables.

Gumbert, C. R.↗
DOE OSTI2025

Classical optimization with imaginary-time block encoding on quantum computers: The MaxCut problem

Optimization problems in finance, physics, and computer science are typically very hard to tackle in classical computing; quantum computing could help speed up computations and provide efficient methods for tackling large problems. Typically, to treat a problem with a quantum computer, the optimal solution is cast as the ground state of a diagonal Hamiltonian. Here, we develop a method, called imaginary-time evolution block encoding (ITE-BE), based on a recent imaginary-time algorithm, which requires no variational parameter optimization, as all parameters can be derived analytically from the target Hamiltonian. We also demonstrate that our method can be successfully combined with other quantum algorithms such as the quantum approximate optimization algorithm (QAOA). For illustration, here we study the MaxCut problem. We find that the QAOA ansatz increases the postselection success of ITE-BE, and shallow QAOA circuits, when boosted with ITE-BE, achieve better performance than deeper QAOA circuits. For the special case of the transverse initial state, we adapt our block-encoding scheme to allow for a deterministic application of the first layer of the circuit.

Zhong, Dawei [University of Southern California, L↗
DOE OSTI2018

A Monte Carlo importance-splitting analytic benchmark - 25539

This paper describes a procedure to create analytic benchmarks for Monte Carlo variance reduction techniques that can be used to predict and/or verify the technique's mean and variance. The process uses the solutions of the first and second history-score moment equations (HSMEs) to obtain the analytic solution for the Monte Carlo mean and variance. For this work, a simple demonstration of the procedure examines the behavior of uncollided particles subject to importance splitting. In addition, a forward approach is given for calculating the same parameters. Finally, the analytic solutions are compared to both Monte Carlo calculations that directly compute the mean and variance and deterministic calculations that solve the HSMEs. All analytic and numeric results agree within the associated Monte Carlo uncertainties. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2025

Analytical gradient-based optimization of CALPHAD model parameters

The calibration of CALPHAD (CALculation of PHAse Diagrams) models involves the solution of a very challenging high-dimensional multiobjective optimization problem. Traditional approaches to parameter fitting predominantly rely on gradient-free methods, which while robust, are computationally inefficient and often scale poorly with model complexity. In this work, we introduce and demonstrate a generalizable framework for analytic gradient-based optimization of the parameters of the CALPHAD model enabled by the recently formalized Jansson derivative technique. This method allows for efficient evaluation of gradients of thermodynamic properties at equilibrium with respect to model parameters, even in the presence of arbitrarily complex internal degrees of freedom. Leveraging these semi-analytic gradients, we employ the conjugate gradient (CG) method to optimize thermodynamic model parameters for four binary alloy systems: Cu-Mg, Fe-Ni, Cr-Ni, and Cr-Fe. Across all systems, CG achieves comparable or superior optimality relative to Bayesian ensemble Markov Chain Monte Carlo (MCMC) with improvements in computational efficiency ranging from one to three orders of magnitude. Furthermore, our results establish a new paradigm for CALPHAD assessments in which high fidelity data-rich model calibration becomes tractable using deterministic gradient-informed algorithms.

CALPHAD↗
DOE OSTI2024

Anisotropic physics-regularized interpretable machine learning of microstructure evolution

Anisotropic Physics-Regularized Interpretable Machine Learning Microstructure Evolution (APRIMME) is a general-purpose machine learning solution for grain growth simulations. In prior work, PRIMME employed a deep neural network to predict site-specific migration as a function of its neighboring sites to model normal, isotropic, grain growth behavior. This work aims to extend this method by incorporating grain boundary misorientation-based grain growth behavior. APRIMME is trained on anisotropic simulations created using the Monte Carlo-Potts (MCP) model. Furthermore, the results of this work are compared statistically using grain radius, number of sides per grain, mean neighborhood misorientations, and the standard deviation of triple junction dihedral angles, and are found to match in most cases. The exceptions are small and seem to be related to two causes: (1) the deterministic model of APRIMME is learning from the stochastic simulations of MCP, which seems to accentuate triple junction behaviors; and, (2) a bias against very small grains is made evident in a quicker decrease in grains than expected at the beginning of an APRIMME simulation. APRIMME is also evaluated for its general ability to capture anisotropic grain growth behavior by first investigating different test case initial conditions, including a circle grain, three grain, and hexagonal grain microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multi-Timescale Three-Phase Unbalanced Distribution System Operation With Variable Renewable Generations

This paper proposes a multi-timescale operational approach for a three-phase unbalanced distribution system, which contains hourly scheduling at substation level and minutes power flow operation at feeder level. In the substation scheduling model, the objective is to minimize the system cost with variable renewable generations. The given error distribution model of renewable generation is formulated as a chance constraint, and derived into a deterministic form by Gaussian mixture model (GMM) with genetic algorithm-based expectation-maximization (GAEM). In the feeder scheduling model, the system cost is further reduced with the optimal power flow (OPF) at a timescale of minutes. Considering the nonconvexity of the three-phase unbalanced OPF problem in distribution systems, the semidefinite programming (SDP) is used to relax the problem into a convex problem, and a distributed computation approach is built based on alternating direction method of multiplier (ADMM). The IEEE 123-bus distribution system, DU (University of Denver) campus distribution system, and the IEEE 8500-bus distribution system are used as the test bench for the proposed approach. And the numerical results demonstrate the effectiveness and validity of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗