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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Assessment of Physical Security Modeling and Simulation in the Vulnerability Assessment Process

This report provides a comprehensive assessment of physical security modeling and simulation tools available for use in the vulnerability assessment (VA) process for nuclear facilities. It outlines the historical evolution of VA methodologies, emphasizing the transition from traditional layer-based approaches to a more holistic framework that integrates detection probabilities directly into combat simulations. The document details the critical components of the VA process, including the characterization of targets, threats, and protective measures, as well as the development of adversary scenarios that reflect both insider and outsider threats. It highlights the importance of performance assurance programs, emphasizing the need for continuous evaluation and testing of security systems to ensure their effectiveness against evolving threats. Additionally, the report discusses the significance of utilizing accredited modeling and simulation tools in accredited areas to accurately represent adversary actions and the corresponding responses of protective forces. By establishing a systematic approach to VA, this document aims to enhance the overall security posture of nuclear facilities, ensuring compliance with regulatory standards while effectively mitigating risks associated with potential adversarial actions.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2025

Physics-Based Modeling and Simulation of Self-Reacting Friction Stir Welding Using Computational Fluid Dynamics

A physics-based model was developed to simulate the behavior of material in a self-reacting friction stir welding (SR-FSW) process for the joining of metals. This steady-state model builds upon fundamental computational fluid dynamic (CFD) principles within Ansys Fluent to solve the discretized equations. The effective viscosity is calculated using a viscoplastic model using a Sheppard-Wright formulation of flow stress. Numerous advancements have been made in the incorporated physics including (1) temperature-dependent material properties; (2) locally adaptable flow and thermal boundary conditions; and (3) adapting material properties in nugget in response to microstructural changes. Simulation strategies to accelerate computation and improve numerical stability include adapting the mesh refinement and solver relaxation factors during simulation. The result is a highly robust and computationally efficient model capable of providing the material flow and temperature history across the domain. As material history determines the local microstructure and ultimately weld strength, an accurate and detailed physics-based model has the potential to accelerate SR-FSW process development. The model is highly adaptable to changes in process parameters, tool design, or alloy.

Process Modeling↗
NASA NTRS2006

Estimation of Sonic Fatigue by Reduced-Order Finite Element Based Analyses

A computationally efficient, reduced-order method is presented for prediction of sonic fatigue of structures exhibiting geometrically nonlinear response. A procedure to determine the nonlinear modal stiffness using commercial finite element codes allows the coupled nonlinear equations of motion in physical degrees of freedom to be transformed to a smaller coupled system of equations in modal coordinates. The nonlinear modal system is first solved using a computationally light equivalent linearization solution to determine if the structure responds to the applied loading in a nonlinear fashion. If so, a higher fidelity numerical simulation in modal coordinates is undertaken to more accurately determine the nonlinear response. Comparisons of displacement and stress response obtained from the reduced-order analyses are made with results obtained from numerical simulation in physical degrees-of-freedom. Fatigue life predictions from nonlinear modal and physical simulations are made using the rainflow cycle counting method in a linear cumulative damage analysis. Results computed for a simple beam structure under a random acoustic loading demonstrate the effectiveness of the approach and compare favorably with results obtained from the solution in physical degrees-of-freedom.

Rizzi, Stephen A.↗
NASA NTRS1990

Numerical simulation of instability and transition physics

The study deals with the algorithm technology used in instability and transition simulations. Discretization methods are outlined, and attention is focused on high-order finite-difference methods and high-order centered-difference formulas. One advantage of finite-difference methods over spectral methods is thought to be in implementation of nonrigorous boundary conditions. It is suggested that the next significant advances in the understanding of transition physics and the ability to predict transition will come with more physically-realistic simulations. Compressible-flow algorithms are discussed, and it is noted that with further development, exploration of bypass mechanism on simple bodies at high speed would be possible.

Streett, C. L.↗
NASA NTRSDate not supplied

Verification and Validation of Elastodynamic Simulation Software for Aerospace Research

Physics-based simulation of nondestructive evaluation (NDE) inspection can help to advance the inspectability and reliability of mechanical systems. However, NDE simulations applicable to non-idealized mechanical components often require large compute domains and long run times. This has prompted development of custom NDE simulation software tailored to high performance computing (HPC) hardware. Verification and validation (V&V) is an integral part of developing this software to ensure implementations are robust and applicable to inspection problems, producing tools and simulations suitable for computational NDE research. This presentation addresses factors common to V&V of several elastodynamic simulation codes applicable to ultrasonic NDE. Examples are drawn from in-house simulation software at NASA Langley Research Center, ranging from ensuring reliability in a 1D heterogeneous media wave equation solver to the V&V needs of 3D cluster-parallel elastodynamic software. Factors specific to a research environment are addressed, where individual simulation results can be as relevant as the software product itself. Distinct facets of V&V are discussed including testing to establish software reliability, employing systematic approaches for consistency with fundamental conservation laws, establishing the numerical stability of algorithms, and demonstrating concurrence with empirical data. This talk also addresses V&V practices for small groups of researchers. This includes establishing resources (e.g. time and personnel) for V&V during project planning to mitigate and control the risk of setbacks. Similarly, we identify ways for individual researchers to use V&V during simulation software development itself to both speed up the development process and reduce incurred technical debt.

NDE↗
DOE OSTI2025

Designing an Optimal Sensor Network via Minimizing Information Loss

Optimal experimental design is a classic topic in statistics, with many well-studied problems, applications, and solutions. The design problem we study is the placement of sensors to monitor spatiotemporal processes, explicitly accounting for the temporal dimension in our modeling and optimization. We observe that recent advancements in computational sciences often yield large datasets based on physics-based simulations, which are rarely leveraged in experimental design. We introduce a novel model-based sensor placement criterion, along with a highly-efficient optimization algorithm, which integrates physics-based simulations and Bayesian experimental design principles to identify sensor networks that “minimize information loss” from simulated data. Our technique relies on sparse variational inference and (separable) Gauss-Markov priors, and thus may adapt many techniques from Bayesian experimental design. We validate our method through a case study monitoring air temperature in Phoenix, Arizona, using state-of-the-art physics-based simulations. Our results show our framework to be superior to random or quasi-random sampling, particularly with a limited number of sensors. We conclude by discussing practical considerations and implications of our framework, including more complex modeling tools and real-world deployments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Asynchronous-many-task systems: Challenges and opportunities - Scaling an AMR astrophysics code on exascale machines using Kokkos and HPX

Dynamic and adaptive mesh refinement is pivotal in high-resolution, multi-physics, multi-model simulations, necessitating precise physics resolution in localized areas across expansive domains. Today’s supercomputers’ extreme heterogeneity presents a significant challenge for dynamically adaptive codes, highlighting the importance of achieving performance portability at scale. Our research focuses on astrophysical simulations, particularly stellar mergers, to elucidate early universe dynamics. Here, we present Octo-Tiger, leveraging Kokkos, HPX, and SIMD for portable performance at scale in complex, massively parallel adaptive multi-physics simulations. Octo-Tiger supports diverse processors, accelerators, and network backends. Experiments demonstrate exceptional scalability across several heterogeneous supercomputers including Perlmutter, Frontier, and Fugaku, encompassing major GPU architectures and x86, ARM, and RISC-V CPUs. Parallel efficiency of 47.59% (110,080 cores and 6880 hybrid A100 GPUs) on a full-system run on Perlmutter (26% HPCG peak performance) and 51.37% (using 32,768 cores and 2048 MI250X) on Frontier are achieved.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Physics-informed machine learning for building performance simulation-A review of a nascent field

Building performance simulation (BPS) is critical for understanding building dynamics and behavior, analyzing the performance of the built environment, optimizing energy efficiency, improving demand flexibility, and enhancing building resilience. However, conducting BPS is not trivial. Traditional BPS relies on accurate building energy models, which are primarily physics-based and heavily dependent on detailed building information, expert knowledge, and case-by-case model calibrations, significantly limiting their scalability. With the development of sensing technology and the increased availability of data, there is growing attention and interest in data-driven BPS. However, purely data-driven models often suffer from limited generalization ability and a lack of physical consistency, resulting in poor performance in real-world applications. To address these limitations, recent studies have begun integrating physics priors into data-driven models, a methodology known as physics-informed machine learning (PIML). PIML is an emerging field where its definitions, methodologies, evaluation criteria, application scenarios, and future directions remain open. To bridge those gaps, this study systematically reviews the state-of-the-art PIML for BPS, offering a comprehensive definition of PIML and comparing it to traditional BPS approaches regarding data requirements, modeling effort, performance, and computational cost. We also summarize the commonly used methodologies, validation approaches, application domains, available data sources, open-source packages, and testbeds. In addition, this study provides a general guideline for selecting appropriate PIML models based on BPS applications. Finally, this study identifies key challenges and outlines future research directions, providing a solid foundation and valuable insights to advance R&D of PIML in BPS.

Jiang, Zixin↗
DOE OSTI2025

Defensive Cybersecurity Architecture Design Using Force-on-Force Cyber-Physical Modeling

Currently, nuclear power plant physical security systems are highly dependent on air-gaps as a protective measure against cyber-threats. Cyber-physical threats become more likely as advanced cyber-threat capabilities to jump air-gaps transition into common use. Defending against the emerging threat of cyber-enabled physical intrusions is poorly understood. The consequence of these cyber-physical attacks has no quantitative analysis method to inform risk-informed, performance-based cybersecurity approaches. By modifying the physical security simulation tool Dante, cyber-physical threat consequence was able to be analyzed on a notional facility. The results of this analysis are used to design a Defensive Cybersecurity Architecture (DCSA) for the physical security system to produce example resilience measures for this notional facility. A DCSA defines security levels to provide a graded approach for defending plant functions, and security zones for trusted communication between systems. This approach can be applied to real world systems to produce physical protection systems and response measures that are resilient to cyber-physical threats.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1990

Hypersonic flow - Physical issues and computational simulation

Computational results are presented on hypersonic flows, with emphasis on thermal and chemical nonequilibrium effects and the role played by grids. The continuum equations and their boundary conditions are presented, and the direct simulation Monte Carlo method is described. The importance of using the correct computational and physical models in describing hypersonic nonequilibrium flows is demonstrated.

Hassan, H. A.↗
DOE OSTI2026

Hybrid Oscillator-Qubit Quantum Processors: Instruction Set Architectures, Abstract Machine Models, and Applications

This tutorial offers a pedagogical guide to hybrid quantum processors that integrate discrete-variable (DV) qubits and continuous-variable (CV) oscillators. Aimed at computer scientists, engineers, and physicists, it provides an overview of the experimental, algorithmic, and architectural aspects of this novel and rapidly developing hardware model. Experimental realizations of this model include superconducting, trapped-ion, and neutral-atom platforms. By combining DV and CV components, hybrid oscillator-qubit processors enable a powerful new paradigm that offers complementary strengths for quantum control, error correction, computation, and simulation. Working toward the goal of a full-stack system connecting applications to CV-DV hardware, we define and formulate abstract machine models and instruction set architectures. These essential abstractions enable codesign of hardware and software, and resource estimation for exploring the potential of current and future hardware for computational and simulation tasks. Using these abstractions, we present both new and existing examples that illustrate the benefits of hybrid CV-DV processors relative to traditional DV-only hardware in computation as well as quantum simulation of physical models. Examples include algorithms for transferring states between DV and CV systems, performing the quantum Fourier transform, and simulation of lattice gauge theories. Relative to qubit-only hardware, the bosonic degrees of freedom natively available in hybrid architectures can substantially reduce the circuit complexity of simulations for physical models containing bosons. A key technique is the extension of quantum signal processing ideas to CV-DV systems. This work is intended to serve as a timely and comprehensive guide to this relatively unexplored yet promising approach to quantum computation and to provide a road map to guide future development.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Designing observables for measurements with deep learning

Many analyses in particle and nuclear physics use simulations to infer fundamental, effective, or phenomenological parameters of the underlying physics models. When the inference is performed with unfolded cross sections, the observables are designed using physics intuition and heuristics. We propose to design targeted observables with machine learning. Unfolded, differential cross sections in a neural network output contain the most information about parameters of interest and can be well-measured by construction. The networks are trained using a custom loss function that rewards outputs that are sensitive to the parameter(s) of interest while simultaneously penalizing outputs that are different between particle-level and detector-level (to minimize detector distortions). We demonstrate this idea in simulation using two physics models for inclusive measurements in deep inelastic scattering. We find that the new approach is more sensitive than classical observables at distinguishing the two models and also has a reduced unfolding uncertainty due to the reduced detector distortions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2022

Limitations in Representation of Physical Processes Prevents Successful Simulation of PM2.5 During KORUS-AQ

High levels of fine particulate matter (PM2.5) pollution in East Asia often exceed local air quality standards. Observations from the Korea United States-Air Quality (KORUS-AQ) field campaign in May and June 2016 showed that development of extreme pollution (haze) occurred through a combination of long-range transport and favorable meteorological conditions that enhanced local production of PM2.5. Atmospheric models often have difficulty simulating PM2.5 chemical composition during haze, which is of concern for the development of successful control measures. We use observations from KORUS-AQ to examine the ability of the GEOS-Chem chemical transport model to simulate PM2.5 composition throughout the campaign and identify the mechanisms driving the pollution event. At the surface, the model underestimates sulfate by -64% but overestimates nitrate by +36%. The largest underestimate in sulfate occurs during the pollution event, where models typically struggle to generate elevated sulfate concentrations due to missing heterogeneous chemistry in aerosol liquid water in the polluted boundary layer. Hourly surface observations show that the model nitrate bias is driven by an overestimation of the nighttime peak. In the model, nitrate formation is limited by the supply of nitric acid, which is biased by +100% against aircraft observations. We hypothesize that this is due to a large missing sink, which we implement here as a factor of five increase in dry deposition. We show that the resulting increased deposition velocity is consistent with observations of total nitrate as a function of photochemical age. The model does not account for factors such as the urban heat island effect or the heterogeneity of the built-up urban landscape resulting in insufficient model turbulence and surface area over the study area that likely results in insufficient dry deposition. Other species such as NH3 could be similarly affected but were not measured during the campaign. Nighttime production of nitrate is driven by NO2 hydrolysis in the model, while observations show that unexpectedly elevated nighttime ozone (not present in the model) should result in N2O5 hydrolysis as the primary pathway. The model is unable to represent nighttime ozone due to an overly rapid collapse of the afternoon mixed layer and excessive titration by NO. We attribute this to missing nighttime heating driving deeper nocturnal mixing that would be expected to occur in a city like Seoul. This urban heating is not considered in air quality models run at large enough scales to treat both local chemistry and long-range transport. Key model failures in simulating nitrate, mainly overestimated daytime nitric acid, incorrect representation of nighttime chemistry, and an overly shallow and insufficiently turbulent nighttime mixed layer, exacerbate the model’s inability to simulate the buildup of PM2.5 during haze pollution. To address the underestimate in sulfate most evident during the haze event, heterogeneous aerosol uptake of SO2 is added to the model which previously only considered aqueous production of sulfate from SO2 in cloud water. Implementing a simple parameterization of this chemistry improves the model abundance of sulfate but degrades the SO2 simulation implying that emissions are underestimated. We find that improving model simulations of sulfate has direct relevance to determining local vs. transboundary contributions to PM2.5. During the haze pollution event, the inclusion of heterogeneous aerosol uptake of SO2 decreases the fraction of PM2.5 attributable to long-range transport from 66% to 54%. Locally-produced sulfate increased from 1% to 25% of locally-produced PM2.5, implying that local emissions controls would have a larger effect than previously thought. However, this additional uptake of SO2 is coupled to the model nitrate prediction which affects the aerosol liquid water abundance and chemistry driving sulfate-nitrate-ammonium partitioning. An additional simulation of the haze pollution with heterogeneous uptake of SO2 to aerosol and simple improvements to the model nitrate simulation results in 30% less sulfate due to 40% less nitrate and aerosol water, and results in an underestimate of sulfate during the haze event. Future studies need to better consider the impact of model physical processes such as dry deposition and nighttime boundary layer mixing on the simulation of nitrate and the effect of improved nitrate simulations on the overall simulation of secondary inorganic aerosol (sulfate+nitrate+ammonium) in East Asia. Foreign emissions are rapidly changing, increasing the need to understand the impact of local emissions on PM2.5 in South Korea to ensure continued air quality improvements.

Katherine R. Travis↗
NASA NTRS2009

Dshell++: A Component Based, Reusable Space System Simulation Framework

This paper describes the multi-mission Dshell++ simulation framework for high fidelity, physics-based simulation of spacecraft, robotic manipulation and mobility systems. Dshell++ is a C++/Python library which uses modern script driven object-oriented techniques to allow component reuse and a dynamic run-time interface for complex, high-fidelity simulation of spacecraft and robotic systems. The goal of the Dshell++ architecture is to manage the inherent complexity of physicsbased simulations while supporting component model reuse across missions. The framework provides several features that support a large degree of simulation configurability and usability.

Software↗
NASA NTRS1987

Contributions of numerical simulation data bases to the physics, modeling and measurement of turbulence

The use of simulation data bases for the examination of turbulent flows is an effective research tool. Studies of the structure of turbulence have been hampered by the limited number of probes and the impossibility of measuring all desired quantities. Also, flow visualization is confined to the observation of passive markers with limited field of view and contamination caused by time-history effects. Computer flow fields are a new resource for turbulence research, providing all the instantaneous flow variables in three-dimensional space. Simulation data bases also provide much-needed information for phenomenological turbulence modeling. Three dimensional velocity and pressure fields from direct simulations can be used to compute all the terms in the transport equations for the Reynolds stresses and the dissipation rate. However, only a few, geometrically simple flows have been computed by direct numerical simulation, and the inventory of simulation does not fully address the current modeling needs in complex turbulent flows. The availability of three-dimensional flow fields also poses challenges in developing new techniques for their analysis, techniques based on experimental methods, some of which are used here for the analysis of direct-simulation data bases in studies of the mechanics of turbulent flows.

Moin, Parviz↗
NASA NTRS2012

Investigating the Mobility of Light Autonomous Tracked Vehicles using a High Performance Computing Simulation Capability

This paper is concerned with the physics-based simulation of light tracked vehicles operating on rough deformable terrain. The focus is on small autonomous vehicles, which weigh less than 100 lb and move on deformable and rough terrain that is feature rich and no longer representable using a continuum approach. A scenario of interest is, for instance, the simulation of a reconnaissance mission for a high mobility lightweight robot where objects such as a boulder or a ditch that could otherwise be considered small for a truck or tank, become major obstacles that can impede the mobility of the light autonomous vehicle and negatively impact the success of its mission. Analyzing and gauging the mobility and performance of these light vehicles is accomplished through a modeling and simulation capability called Chrono::Engine. Chrono::Engine relies on parallel execution on Graphics Processing Unit (GPU) cards.

tracked vehicles↗
DOE OSTI2026

Scattering Processes from Quantum Simulation Algorithms for Scalar Field Theories

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve these improvements through two optimizations. First, we consider a finite volume approach for estimating the elements of the S-matrix. This approach is appropriate in general for 1+1D and for certain low-energy elastic collisions in higher dimensions. Second, we implement our approach using a series of different fault-tolerant simulation algorithms for Hamiltonians formulated both in the field occupation basis and field amplitude basis. Our algorithms are based on either second-order Trotterization or qubitization. The cost of Trotterization in occupation basis scales as O ( λ N 7 | Ω | 3 / ( M 5 / 2 ϵ 3 / 2 ) ) where λ is the coupling strength, N is the occupation cutoff, | Ω | is the volume of the spatial lattice, M is the mass of the particles and ϵ is the uncertainty in the energy calculation used for the S -matrix determination. Qubitization in the field basis scales as O ( | Ω | 2 ( k 2 Λ + k M 2 ) / ϵ ) , where k is the cutoff in the field and Λ is a scaled coupling constant. We find in both cases that the bounds suggest physically meaningful simulations can be performed using on the order of 4 × 10 6 physical qubits and 10 12 T -gates which corresponds to roughly one day on a superconducting quantum computer with surface code and a cycle time of 100 ns. This places the simulation of scalar field theory within striking distance of the gate counts for the best available chemistry simulation results.

Hardy, Andrew [Toronto U.] (ORCID:0000000235817382↗
DOE OSTI2025

Simulation Models for Exploring Magnetic Reconnection

Simulations have played a critical role in the advancement of our knowledge of magnetic reconnection. However, due to the inherently multiscale nature of reconnection, it is impossible to simulate all physics at all scales. For this reason, a wide range of simulation methods have been crafted to study particular aspects and consequences of magnetic reconnection. This article reviews many of these methods, laying out critical assumptions, numerical techniques, and giving examples of scientific results. Plasma models described include magnetohydrodynamics (MHD), Hall MHD, Hybrid, kinetic particle-in-cell (PIC), kinetic Vlasov, Fluid models with embedded PIC, Fluid models with direct feedback from energetic populations, and the Rice Convection Model (RCM).

79 ASTRONOMY AND ASTROPHYSICS↗