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Results for “Simulation Optimization”

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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Initial steady-state core simulation capability or thermal and pool-type molten salt reactors, coupling reactor physics, thermal-hydraulics, and evolving chemistry

This report presents the development and validation of an initial steady-state multiphysics capability for molten salt reactors (MSRs) under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in Fiscal Year 2025. The framework integrates neutronics, thermal-hydraulics, species transport, and thermochemistry to capture the coupled dynamics of liquid-fueled systems. Implementation and testing were performed on two representative designs: the Molten Salt Reactor Experiment (MSRE), a thermal-spectrum, channeled-flow reactor, and the Lotus Molten Salt Reactor (L-MSR), a fast-spectrum, pool-type reactor. The modeling suite employs Griffin for reactor physics and depletion, Pronghorn and SAM for thermal-hydraulics, Thermochimica for chemistry, and Saline for thermophysical properties, with benchmarking and validation carried out against historical MSRE data, experimental flow-loop measurements, and reference depletion calculations from Monte Carlo codes. The framework demonstrated the ability to reproduce key reactor behaviors including temperature feedback, reactivity losses, delayed neutron precursor transport, xenon poisoning, and redox potential evolution. The results confirm the feasibility and accuracy of the coupled models in predicting steady-state and selected transient MSR behaviors. This latter ones are used in this report as a proxy indicating that the steady-state models from which the transient starts are accurate. For MSRE, validation showed good agreement with pump start-up and natural circulation tests, while for the L-MSR, benchmarking confirmed hydraulic calibration and consistency of neutronics–thermal coupling. The tools also provided new insights into species transport, noble metal deposition, and salt solidification dynamics. On the Xenon transport front, the code is validated against the steady state Xenon poisoining measurement and showed good agreement with the experimental value. Identified areas for future work include advanced void transport modeling, three-dimensional simulations, improved alloy corrosion models, and tighter integration with high-fidelity Monte Carlo codes. These developments provide a foundation for high-fidelity MSR simulations that can support reactor design optimization, safety assessments, and long-term operational strategies.

42 - ENGINEERING↗
DOE OSTI2025

STEPs-SOL, a Peptoid Force Field Parameterization to Include Solvent Effects

As peptoids (N-substituted glycines) continue to gain popularity as a class of biomimetic polymers, the importance and demand for accurate force fields in molecular simulations also grow. Building on the vacuum-optimized Systematic and Extensible Force Field for Peptoids (STEPs) force field, here we present STEPs-SOL, a novel peptoid force field parametrization that effectively incorporates solvent effects to enhance the accuracy of peptoid simulations. The development of STEPs-SOL is based on the need for precise electrostatic modeling achieved through solvent-specific partial charge optimization. Here, our systematic approach significantly improves agreement with experimental measurements, reducing the mean absolute error in cis/trans ratio predictions (ΔG c/t ) by an average of 38% across multiple peptoid residues and solvent environments. This improved parametrization addresses computational challenges associated with nonbonded energies while maintaining a workflow that relies on high-level quantum mechanical data rather than depending solely on limited experimental equilibrium properties. By evaluating the effects of conformational bias in restrained electrostatic potential (RESP) charge generation and examining their impact on peptoid conformations in various solvents, we enhance our understanding of peptoid structural dynamics while providing a more accurate modeling framework.

force field↗
NASA NTRS1979

Continuous metabolic and cardiovascular measurements on a monkey subject during a simulated 6-day Spacelab mission

A 10-kg male pig-tailed monkey (Macaca nemestrina) was selected as an optimal species for spaceflight studies on weightlessness. Three days before the simulated launch, the animal was placed in a fiberglass pod system to provide continuous measurement of respiratory gas exchange. Attention is given to examining the effects of weightlessness on several basic parameters of metabolic and cardiovascular function in an adult nonhuman primate. The 10.7-day total simulated-experiment period consisted of preflight 2.6 days, inflight 6.3 days, and postflight 1.8 days. Statistically significant diurnal variation was noted in oxygen consumption and CO2 production rates, body temperature and HR, but not in respiratory quotient or blood pressure. The high quality of the continuous data obtained demonstrates the feasibility of performing sound physiological experimentation on nonhuman primates in the Spacelab environment.

Pace, N.↗
NASA NTRS1980

Performance analysis and simulation of the SPS reference phase control system

Key results pertinent to the SPS reference phase control system design are summarized. These results are a consequence of extensive system engineering tradeoffs provided via mathematical modeling, optimization, analysis and the development/utilization of a computer simulation tool called SOLARSIM.

Lindsey, W. C.↗
NASA NTRS2013

Real-Time Optimization for use in a Control Allocation System to Recover from Pilot Induced Oscillations

Integration of the Control Allocation technique to recover from Pilot Induced Oscillations (CAPIO) System into the control system of a Short Takeoff and Landing Mobility Concept Vehicle simulation presents a challenge because the CAPIO formulation requires that constrained optimization problems be solved at the controller operating frequency. We present a solution that utilizes a modified version of the well-known L-BFGS-B solver. Despite the iterative nature of the solver, the method is seen to converge in real time with sufficient reliability to support three weeks of piloted runs at the NASA Ames Vertical Motion Simulator (VMS) facility. The results of the optimization are seen to be excellent in the vast majority of real-time frames. Deficiencies in the quality of the results in some frames are shown to be improvable with simple termination criteria adjustments, though more real-time optimization iterations would be required.

optimal control↗
NASA NTRSDate not supplied

Uncovering Hazards Using a Multi-Objective Optimization to Explore the Faulty State-Space

Considering resilience when designing complex engineered systems is crucial to ensure the system is safe under unexpected hazardous scenarios. Traditional risk-based approaches, such as Failure Modes and Effects Analysis (FMEA) are useful for designing the system to mitigate hazardous scenarios that can be identified by the designer, but often require experience or prior knowledge of system failures to generate. More recently, researchers have developed simulation tools that enable the designer to model large sets of hazardous scenarios (driven by both internal faults and external factors) through simulation. While these tools enable a wider scope of fault modes to be evaluated (e.g., by injecting combined set of fault modes or injecting modes at different times), the resulting assessments (like FMEA) still require knowledge of the specific modes to be evaluated. However, failure to analyze a wide variety of fault scenarios can lead to an incomplete picture of the system resilience, especially to "surprise events'' which may be difficult for the designer to identify and predict beforehand. To overcome this challenge, previous work developed a fault sampling approach for resilience simulations which would procedurally-generate a wide variety of potential faults by systematically perturbing the health states of the system. While the resulting fault modes generated covered a much larger space hazards than would be otherwise considered (and identified many unique failure trajectories which would not have otherwise been identified), it also significantly increased the computational cost of the analysis and resulted in the simulation and analysis of a large set of essentially duplicate scenarios. Additionally, as the number of dimensions in the faulty state-space increases, the full elaboration of possible modes becomes computationally infeasible, justifying the use of a more targeted search. To resolve this limitation, this work proposes the use of a multiobjective optimization algorithm to search the health state space for potential fault modes that are both (1) hazardous and (2) unique. To solve this type of problem, this work proposes the use of a cooperative co-evolutionary algorithm. To demonstrate this approach, it will be applied to a model of an autonomous rover which uses line markings to navigate, focusing on potential hazards in the drive system which could cause the rover to crash. To determine the merit of the approach, it will further be compared with the previously-presented range elaboration approach and a random mode generation approach on the basis of computational efficiency and found modes.

Resilience↗
NASA NTRS2012

Direct Method Transcription for a Human-Class Translunar Injection Trajectory Optimization

This paper presents a new trajectory optimization software package developed in the framework of a low-to-high fidelity 3 degrees-of-freedom (DOF)/6-DOF vehicle simulation program named Mission Analysis Simulation Tool in Fortran (MASTIF) and its application to a translunar trajectory optimization problem. The functionality of the developed optimization package is implemented as a new "mode" in generalized settings to make it applicable for a general trajectory optimization problem. In doing so, a direct optimization method using collocation is employed for solving the problem. Trajectory optimization problems in MASTIF are transcribed to a constrained nonlinear programming (NLP) problem and solved with SNOPT, a commercially available NLP solver. A detailed description of the optimization software developed is provided as well as the transcription specifics for the translunar injection (TLI) problem. The analysis includes a 3-DOF trajectory TLI optimization and a 3-DOF vehicle TLI simulation using closed-loop guidance.

Witzberger, Kevin E.↗
DOE OSTI2025

Simulating many-engine spacecraft: Exceeding 1 quadrillion degrees of freedom via information geometric regularization

We present an optimized implementation of the recently proposed information geometric regularization (IGR) for unprecedented scale simulation of compressible fluid flows applied to multi-engine spacecraft boosters. We improve upon state-of-the-art computational fluid dynamics (CFD) techniques in terms of computational cost, memory footprint, and energy-to-solution metrics. Unified memory on coupled CPU–GPU or APU platforms increases problem size with negligible overhead. Mixed half/single-precision storage and computation are used on well-conditioned numerics. We simulate flow at 200 trillion grid points and 1 quadrillion degrees of freedom, exceeding the current record by a factor of 20. A factor of 4 wall-time speedup is achieved over optimized baselines. Ideal weak scaling is observed on OLCF Frontier, LLNL El Capitan, and CSCS Alps using the full systems. Strong scaling is near ideal at extreme conditions, including 80% efficiency on CSCS Alps with an 8 node baseline and stretching to the full system.

Wilfong, Benjamin [Georgia Institute of Technology↗
DOE OSTI2024

Transformer-powered surrogates close the ICF simulation-experiment gap with extremely limited data

Abstract Recent advances in machine learning, specifically transformer architecture, have led to significant advancements in commercial domains. These powerful models have demonstrated superior capability to learn complex relationships and often generalize better to new data and problems. This paper presents a novel transformer-powered approach for enhancing prediction accuracy in multi-modal output scenarios, where sparse experimental data is supplemented with simulation data. The proposed approach integrates transformer-based architecture with a novel graph-based hyper-parameter optimization technique. The resulting system not only effectively reduces simulation bias, but also achieves superior prediction accuracy compared to the prior method. We demonstrate the efficacy of our approach on inertial confinement fusion experiments, where only 10 shots of real-world data are available, as well as synthetic versions of these experiments.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Plasma processing of SRF cavities at Jefferson Lab: Experiment results and simulation insight

Plasma processing of superconducting radio frequency (SRF) cavities has been an active research effort at Jefferson Lab (JLab) since 2019, aimed at enhancing cavity performance by removing hydrocarbon contaminants and reducing field emission. In this experiment, processing using argon-oxygen and helium-oxygen gas mixtures to find minimum ignition power at different cavity pressure was investigated. Ongoing simulations are contributing to a better understanding of the plasma surface interactions and the fundamental physics behind the process. These simulations, combined with experimental studies, guide the optimization of key parameters such as gas type, RF power, and pressure to ignite plasma using selected higher-order mode (HOM) frequencies. This paper presents experimental data from argon-oxygen and helium-oxygen gas mixture C75 and C100 cavity plasma ignition studies, as well as simulation results for the C100-type cavity based on the COMSOL model previously applied to the C75 cavity.

Accelerator Physics↗
NASA NTRS2020

Underlying Fundamentals of Kalman Filtering for River Network Modeling

The grand challenge of producing hydrometeorological estimates every time and everywhere has motivated the fusion of sparse observations with dense numerical models, with a particular interest on discharge in river modeling. Ensemble methods are largely preferred as they enable the estimation of error properties, but at the expense of computational load and generally with underestimations. These imperfect stochastic estimates motivate the use of correction methods, that is, error localization and inflation, although the physical justifications for their optimality are limited. The purpose of this study is to use one of the simplest forms of data assimilation when applied to river modeling and reveal the underlying mechanisms impacting its performance. Our framework based on assimilating daily averaged in situ discharge measurements to correct daily averaged runoff was tested over a 4-yr case study of two rivers in Texas. Results show that under optimal conditions of inflation and localization, discharge simulations are consistently improved such that the mean values of Nash–Sutcliffe efficiency are enhanced from211.32 to 0.55 at observed gauges and from212.24 to21.10 at validation gauges. Yet, parameters controlling the inflation and the localization have a large impact on the performance. Further investigations of these sensitivities showed that optimal inflation occurs when compensating exactly for discrepancies in the magnitude of errors while optimal localization matches the distance traveled during one assimilation window. These results may be applicable to more advanced data assimilation methods as well as for larger applications motivated by upcoming river-observing satellite missions, such as NASA’s Surface Water and Ocean Topography mission.

Streamflow↗
DOE OSTI2024

Evaluating the impact of peat soils and snow schemes on simulated active layer thickness at pan-Arctic permafrost sites

Abstract Permafrost stability is significantly influenced by the thermal buffering effects of snow and active-layer peat soils. In the warm season, peat soils act as a barrier to downward heat transfer mainly due to their low thermal conductivity. In the cold season, the snowpack serves as a thermal insulator, retarding the release of heat from the soil to the atmosphere. Currently, many global land models overestimate permafrost soil temperature and active layer thickness (ALT), partially due to inaccurate representations of soil organic matter (SOM) density profiles and snow thermal insulation. In this study, we evaluated the impacts of SOM and snow schemes on ALT simulations at pan-Arctic permafrost sites using the Energy Exascale Earth System Model (E3SM) land model (ELM). We conducted simulations at the Circumpolar Active Layer Monitoring (CALM) sites across the pan-Arctic domain. We improved ELM-simulated site-level ALT using a knowledge-based hierarchical optimization procedure and examined the effects of precipitation-phase partitioning methods (PPMs), snow compaction schemes, and snow thermal conductivity schemes on simulated snow depth, soil temperature, ALT, and CO 2 fluxes. Results showed that the optimized ELM significantly improved agreement with observed ALT (e.g. RMSE decreased from 0.83 m to 0.15 m). Our sensitivity analysis revealed that snow-related schemes significantly impact simulated snow thermal insulation levels, soil temperature, and ALT. For example, one of the commonly used snow thermal conductivity schemes (quadratic Sturm or SturmQua) generally produced warmer soil temperatures and larger ALT compared to the other two tested schemes. The SturmQua scheme also amplified the model’s sensitivity to PPMs and predicted deeper ALTs than the other two snow schemes under both current and future climates. The study highlights the importance of accurately representing snow-related processes and peat soils in land models to enhance permafrost dynamics simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Multipoint Aerostructural Optimization of Wind Turbine Rotors Using a Coupled Blade‐Resolved Aerostructural Solver

Physics‐based design optimization workflows thread the needle between computational cost limitations and simulation complexity, often compromising between modeling detail and the range of operating design conditions. Multipoint aerostructural optimization of wind turbine rotors has so far been confined to low‐fidelity analyses or to high‐fidelity studies with simplified structural models, leaving the most complex design trade‐offs unexplored. We close this gap by performing the first tightly coupled gradient‐based multipoint aerostructural rotor optimization using 3D aerodynamic and structural solvers with discrete coupled adjoints. The optimizer simultaneously varies blade planform, airfoil shapes, and structural thickness through more than 270 design variables, minimizing a weighted combination of rotor mass and power across multiple wind speeds. Applied to a modified DTU 10‐MW benchmark under conservative structural and aerodynamic constraints, our multipoint optimization reduces rotor mass by up to 36% and increases power by 12%–15% across the main operating conditions; biasing the objective toward power yields power gains up to 18% and a 17% mass reduction. For a nominal wind distribution, 3‐point rotor designs accounting for low RPM and high thrust conditions capture dominant trade‐offs and outperform single‐point designs. Adding two off‐design points changes individual‐condition power by less than 3% but leaves the weighted average within 0.5%, and the mass‐power bias has a stronger effect on the final design than the operating‐point weighting itself. Our framework extends naturally to richer load cases and site‐specific wind distributions, providing a basis for high‐fidelity multipoint design earlier in industrial workflows.

17 WIND ENERGY↗
NASA NTRS2019

Scenario Complexity for Unmanned Aircraft System Traffic

This work introduces an approach to estimate the complexity of a low-altitude air traffic scenario involving multiple UASs using mathematical programming. Given a set of multi-point UAS flight trajectories, vehicle dynamics, and a conflict resolution algorithm, an abstract model is developed such that it can be solved quickly using a mathematical programming optimization software without running high-fidelity simulations that can be computationally expensive and may not suit real-time apA quick and accurate assessment of complexity for a given traffic scenario can help plan and schedule flights to alleviate traffic bottleneck and mitigate operation risks, especially for unmanned aerial system traffic management where high traffic density or complexity is expected. This work introduces a traffic scenario complexity metric that was constructed based on the number of potential conflicts weighted by the conflict resolution cost associated. The cost associated with a conflict is calculated based on the corresponding conflict resolution maneuvers. To obtain the conflict resolution maneuvers, a MILP-based optimization was formulated with the vehicle model and conflict management parameters incorporated. To evaluate the complexity metrics, an approach of using measurements from high-fidelity simulations was proposed. The scenario complexity measurements for 920 random-generated scenarios were obtained through high-fidelity simulations and treated as the ground truth. Two statistics methods: Pearson and Alternative Conditional Expectations were applied for analysis. The results showed that the number of flights has low correlation with the scenario complexity according to the correlation coefficients calculated by both methods. The Alternative Conditional Expectations method shows that the proposed scenario complexity metric has better correlation with the ground truth than the number of potential conflicts.plications. In the abstract model, each vehicle is represented by a time-varied vector associated with position, speed, and heading information. The total extra distance that aircraft need to divert from their original routes to avoid collisions is computed and used to setup a quadratic programming formula. The metrics including the number of conflicts and extra distances travelled by all vehicles are then utilized to estimate the complexity of a given UAS flight scenario. Results and verification against high-fidelity simulations will be provided in the final draft.

traffic complexity↗
DOE OSTI2026

Technical Report for Bayesian Optimization and Reinforcement Learning for Beam Polarization Increase in the BNL Hadron Injectors

This project developed and evaluated physics-informed Bayesian learning and machine learning (ML)-based optimization methods for improving beam polarization preservation in the BNL hadron injector chain. The work focused on uncertainty-aware digital twin modeling, Bayesian calibration of accelerator simulations using beam measurements, and data-efficient optimization strategies including Bayesian optimization and reinforcement learning. These methods were applied to injector tuning and RF control problems in realistic accelerator settings to support improved operational robustness and readiness for RHIC operations and future Electron–Ion Collider facilities. No subject inventions were disclosed under this award.

43 PARTICLE ACCELERATORS↗
NASA NTRS1975

Development of a unified guidance system for geocentric transfer

A method is presented for open loop guidance of a solar electric propulsion spacecraft to geosynchronsus orbit. The method consists of determining the thrust vector profiles on the ground with an optimization computer program, and performing updates based on the difference between the actual trajectory and that predicted with a precision simulation computer program. The motivation for performing the guidance analysis during the mission planning phase is discussed, and a spacecraft design option that employs attitude orientation constraints is presented. The improvements required in both the optimization program and simulation program are set forth, together with the efforts to integrate the programs into the ground support software for the guidance system.

Cake, J. E.↗
NASA NTRS1975

Development of a unified guidance system for geocentric transfer

A method is presented for open loop guidance of a solar electric propulsion spacecraft to geosynchronous orbit. The method consists of determining the thrust vector profiles on the ground with an optimization computer program, and performing updates based on the difference between the actual trajectory and that predicted with a precision simulation computer program. The motivation for performing the guidance analysis during the mission planning phase is discussed, and a spacecraft design option that employs attitude orientation constraints is presented. The improvements required in both the optimization program and simulation program are set forth, together with the efforts to integrate the programs into the ground support software for the guidance system.

Cake, J. E.↗
NASA NTRS2018

Assessment and Verification of SLS Block 1-B Exploration Upper Stage State and Stage Disposal Performance

One of the SLS Navigation System's key performance requirements is a constraint on the payload system's delta-v allocation to correct for insertion errors due to vehicle state uncertainty at payload separation. The SLS navigation team has developed a Delta-Delta-V analysis approach to assess the effect on trajectory correction maneuver (TCM) design needed to correct for navigation errors. This approach differs from traditional covariance analysis based methods and makes no assumptions with regard to the propagation of the state dynamics. This allows for consideration of non-linearity in the propagation of state uncertainties. The Delta-Delta-V analysis approach re-optimizes perturbed SLS mission trajectories by varying key mission states in accordance with an assumed state error. The state error is developed from detailed vehicle 6-DOF Monte Carlo analysis or generated using covariance analysis. These perturbed trajectories are compared to a nominal trajectory to determine necessary TCM design. To implement this analysis approach, a tool set was developed which combines the functionality of a 3-DOF trajectory optimization tool, Copernicus, and a detailed 6-DOF vehicle simulation tool, Marshall Aerospace Vehicle Representation in C (MAVERIC). In addition to delta-v allocation constraints on SLS navigation performance, SLS mission requirement dictate successful upper stage disposal. Due to engine and propellant constraints, the SLS Exploration Upper Stage (EUS) must dispose into heliocentric space by means of a lunar fly-by maneuver. As with payload delta-v allocation, upper stage disposal maneuvers must place the EUS on a trajectory that maximizes the probability of achieving a heliocentric orbit post Lunar fly-by considering all sources of vehicle state uncertainty prior to the maneuver. To ensure disposal, the SLS navigation team has developed an analysis approach to derive optimal disposal guidance targets. This approach maximizes the state error covariance prior to the maneuver to develop and re-optimize a nominal disposal maneuver (DM) target that, if achieved, would maximize the potential for successful upper stage disposal. For EUS disposal analysis, a set of two tools was developed. The first considers only the nominal pre-disposal maneuver state, vehicle constraints, and an a priori estimate of the state error covariance. In the analysis, the optimal nominal disposal target is determined. This is performed by re-formulating the trajectory optimization to consider constraints on the eigenvectors of the error ellipse applied to the nominal trajectory. A bisection search methodology is implemented in the tool to refine these dispersions resulting in the maximum dispersion feasible for successful disposal via lunar fly-by. Success is defined based on the probability that the vehicle will not impact the lunar surface and will achieve a characteristic energy (C3) relative to the Earth such that it is no longer in the Earth-Moon system. The second tool propagates post-disposal maneuver states to determine the success of disposal for provided trajectory achieved states. This is performed using the optimized nominal target within the 6-DOF vehicle simulation. This paper will discuss the application of the Delta-Delta-V analysis approach for performance evaluation as well as trajectory re-optimization so as to demonstrate the system's capability in meeting performance constraints. Additionally, further discussion of the implementation of assessing disposal analysis will be provided.

Patrick, Sean↗