Search NASA⌕ Search

SEARCH · Search NASA

Results for “Modeling Simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Consist v0.1.0

A Python library for provenance tracking, intelligent caching, and data virtualization in scientific simulation workflows. It automatically records code, configuration, and input data to skip redundant computations and enables querying results across many runs without manual bookkeeping. Designed to support multi-model simulation workflows like the BEAM CORE toolset at LBL, but designed to be extensible to a wide range of research workflows. Combines lineage tracking features as provided by OpenLineage with deterministic hashing like SnakeMake, and adds powerful analysis tools on model outputs.

Needell, Zachary [Lawrence Berkeley National Labor↗
DOE OSTI2025

Mechanical cosmology: Simulating scalar fluctuations in expanding universes using synthetic mechanical lattices

Inspired by recent advances in observational astrophysics and continued explorations in the field of analog gravity, we discuss the prospect of simulating models of cosmology within the context of synthetic mechanical lattice experiments. We focus on the physics of expanding universe scenarios described by the Friedmann-Lemaître-Robertson-Walker (FLRW) metric. Specifically, quantizing scalar fluctuations in a background FLRW spacetime leads to a quadratic bosonic Hamiltonian with temporally varying pair production terms. Here we present a mapping that provides a one-to-one correspondence between these classes of cosmology models and feedback-coupled mechanical oscillators. As proof of principle, we then perform experiments on a synthetic mechanical lattice composed of such oscillators. We simulate two different FLRW expansion scenarios with universes dominated by vacuum energy and matter and discuss our experimental results. Published by the American Physical Society 2025

Rhyno, Brendan (ORCID:0000000235266998)↗
DOE OSTI2026

Foundation models for atomistic simulation of chemistry and materials

Conventional computational methods for modeling chemical and materials systems are limited by system size and timescale, forcing a trade-off between quantum-mechanical accuracy and the sampling needed for realistic observables. Large language and vision foundation models — pre-trained on massive datasets using transformer architectures — have revolutionized many fields. It is thus interesting to ask whether a foundation model — subject to suitable data, parameter scaling and training — could enable learned simulations of chemistry and materials. Here, in this study, we review the field of machine-learned interatomic potentials (MLIPs) and posit that scaling up large and diverse chemical and materials datasets and highly expressive architectures using advanced training strategies should result in models that are: more efficient, transferable, robust to out-of-distribution scenarios, and easier to fine-tune to a variety of downstream physical observables than models trained from scratch on small datasets corresponding to specific, targeted atomistic simulation tasks. We provide specific criteria for creating such large-scale MLIP foundation models, coordinated strategies for their development, evaluation and deployment, and highlight potential emergent capabilities that could transform predictive simulations in chemistry and materials science and accelerate discovery across multiple technological domains.

Yuan, Eric C.-Y. [University of California, Berkel↗
DOE OSTI2024

The role of the tropical Atlantic in tropical Pacific climate variability

Abstract Interactions between Atlantic and Pacific Oceans can affect tropical Pacific variability and its global impacts at both interannual and decadal timescales. Thus, a deepened understanding of the coupled Atlantic-Pacific interactions is needed. While possible dynamical mechanisms by which the Atlantic can influence the Pacific have been identified, the effectiveness of those mechanisms is difficult to establish using climate model simulations where Atlantic sea surface temperatures (SSTs) are prescribed and Pacific feedbacks cannot be realistically included. As an alternative approach, here we use a Linear Inverse Model (LIM) trained on observations and capable of correctly reproducing the observed statistics, to assess the relative role of the Atlantic-to-Pacific and Pacific-to-Atlantic influences on tropical Pacific variability. Our results indicate that Atlantic internal variability can enhance interannual SST anomalies in the eastern equatorial Pacific, and decadal SST anomalies in the central equatorial Pacific, while Pacific influences on the Atlantic significantly damp tropical Pacific decadal variability. This methodological framework could also be used to assess climate model fidelity in representing tropical basin interactions, helping to reconcile existing differences among models’ results.

Meteorology & Atmospheric Sciences↗
DOE OSTI2024

Power Analysis of an ePump Applied to the Linear Functions of an Agricultural Planter

Like many other industries, the agricultural industry has recently ex-perienced pressure to reduce vehicle emissions while improving productivity. Electric actuation is perceived as a viable solution to replace or augment hydrau-lic and mechanical actuation. However, electrification presents challenges with regards to linear functions, where hydraulic actuators have advantages in terms of compactness, tolerance to contamination and resistance to shocks. A combined electro-hydraulic actuation architecture can leverage the benefits of both electric and hydraulic actuation, while reducing the drawbacks of both approaches. This work investigates the potential of a centralized electric driven pump (ePump) system powering the pressure-controlled linear functions of an agricul-tural planter, with the goal of improving the operating point of the main supply pump. In this application, the rotary functions are hydraulically actuated, alt-hough such a solution could be applied also to electric rotary actuation. This is accomplished by setting the ePump to boost the pressure supplied by the tractor to the level required by the linear functions. An accumulator is used to stabilize the flow requirements of the linear functions, and control the pressure supplied to the actuators. Two control schemes are proposed for the regulation of the ac-cumulator pressure, one favoring an efficient operating point for the ePump, the other favoring stable steady state operation. A simulation model of the baseline system and proposed system is developed and validated using experimental data from a full-scale machine. Using the vali-dated simulation, both control architectures are then evaluated for improvement in system power consumption and dynamic requirements on the ePump to assess their effectiveness. Both systems demonstrate significant improvement in power consumption over the baseline system, with the best solution improving effi-ciency by 64%.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Synchronization of the Recent Decline of East African Long Rains and Northwestern Eurasian Warming

Abstract The East African March–April–May (MAM, “long rains”) precipitation decline in recent decades remains a puzzle marked by various proposed large‐scale drivers. Here, the interannual variability of the long rains and their recent drying trend are examined using global model simulations and observations. Comparison of a control simulation and re‐initialized simulations in which land‐surface feedback is suppressed shows that much of the long rains deficit experienced between 1980 and 2014 is synchronized with the warming of the Northwestern Eurasian landmass. In agreement with the modeling results, multiple observational data sets reveal a strong negative correlation between MAM mean East African rainfall amount and the surface temperature over Northwestern Eurasia. Idealized simulations further indicate that warming in Northwestern Eurasia weakens the regional Hadley Cell and diverts the monsoonal transport of moisture away from Eastern Africa toward Europe and southern Africa, highlighting the role of remote land surface warming on the observed precipitation decline.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

E3SM: Improved Climate Prediction with Exascale Capability

The Energy Exascale Earth System Model (E3SM) project is an ongoing, state-of-the-science earth system modeling, simulation, and prediction effort that optimizes Department of Energy (DOE) computing resources to meet the science needs of the nation and the agency’s mission objectives. Climate simulation has become a proven tool for identifying and quantifying the impacts of climate change, but even greater accuracy is required at all levels to improve forecast precision. Understanding the impact of climate change on global and regional water cycles is one of the highest priorities and most difficult challenges in climate change prediction. As part of a subproject of DOE’s Exascale Computing Project, a multidisciplinary team including geophysical and computational scientists developed a multiscale modeling framework (MMF) to refine cloud representation in E3SM climate simulation on GPU accelerated supercomputers, making higher resolution, more computationally efficient predictions possible.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A high fidelity and user-friendly equation-oriented optimization model for carbon capture using a novel water-lean solvent

Research Triangle Institute (RTI) International and SLB have developed a novel water-lean solvent technology for carbon capture, demonstrating low specific reboiler duty (SRD) values at capture rates exceeding 90%. At the Technology Centre Mongstad (TCM) pilot plant, the technology achieved an SRD of 2.55 GJ/t-CO2 at 95% capture, utilizing an intercooler and a 5°C temperature approach in the lean/rich solvent cross exchanger. To meet varying carbon capture targets for Front End Engineering and Design (FEED) studies and to enable real-time optimization and advanced process control, an efficient optimization model is required. This model needs to minimize energy demand for a given capture rate and determine optimal operating parameters in response to fluctuating flue gas conditions. While an existing Aspen Plus simulation model, developed by RTI and SLB, accurately matches TCM plant data, its sequential modular (SM) strategy is too slow for real-time applications due to recycle streams and tight heat integration inherent in solvent-based carbon capture processes. Although an equation-oriented (EO) modeling strategy is more suitable for optimizing these processes, its adoption has been limited by several factors: feature limitations in Aspen Plus EO mode (e.g., lack of balance block support), a less user-friendly interface for variable identification and loop solving, complex troubleshooting of convergence issues, and the necessity for accurate initial values.

carbon capture↗
DOE OSTI2025

Cloud radiative effect dominates variabilities of surface energy budget in the dark Arctic

Climate models simulate a wide range of temperatures in the Arctic. Here we investigate one of the main drivers of changes in surface temperature: the net surface heat flux in the models. We show that in the winter months of the dark Arctic, there is a more than two-fold difference in the net surface heat fluxes among the models, and this difference is dominated by the downward infrared radiation from clouds. Owing to the small amount of water vapor in the winter Arctic, infrared radiation from clouds transmits more easily to the surface in the Arctic than at other latitudes, resulting in large cloud radiative effect at the surface. The dominant role of the cloud effect is also found in the transient variability of the net surface heat flux. Results demonstrate that accurate simulation of clouds is crucial for determining the net surface heat flux, which in turn affects surface temperature and sea ice properties in the Arctic.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Innovating the next generation of commercial smart building software

Nearly 30% of commercial building energy use is wasted due to equipment faults and HVAC controls problems. The result is increased emissions, compromised comfort and productivity, and less reliable coordination of building power needs with a clean grid. The energy impact alone represents $17 billion in potential savings. Today’s smart building software provides a robust solution to address these operational deficiencies. Energy management and information systems (EMIS) are saving up to 9% on average, with two-year paybacks. They are being incorporated into energy management processes, commissioning services, and utility programs. As effective as they are, two barriers prevent even deeper benefits; limited personnel to fix problems once they are identified, and the expense and time to manually implement changes in control systems. In partnership with the research community, the EMIS industry is developing new capabilities to overcome these barriers. Moving beyond siloed products for either fault detection and diagnostics, or optimal control, these new capabilities empower users to not only automatically identify faults, but also to push corrective action, and control improvements to their buildings. In this paper, several areas for enhancements are documented: ‘one-time’ correction of faults such as setpoints, schedules, and economizer lockouts; short-term active testing for automated proportional integral derivative (PID) loop tuning and functional testing; and continuous supervisory control for demand flexibility and year-round efficiency. Results are presented from a pair of partner implementations out of a dozen providers integrating these enhancements into their products, including field tests from across the country, and insights into operator acceptance and integration into operations and maintenance practices.

Casillas, Armando↗
DOE OSTI2026

Modeling, Validation, and Control of the IEA‐15 MW Reference Wind Turbine and VolturnUS‐S Platform

This paper presents the acausal modeling, validation, and control of floating offshore wind turbines (FOWTs). The model simulates the IEA‐15 MW reference turbine and the semi‐submersible VolturnUS‐S platform utilizing a Control‐oriented, Reconfigurable, and Acausal Floating Turbine Simulator (CRAFTS), which integrates the key coupled aero‐hydro‐elasto‐servo dynamics and is being developed by authors at the University of Central Florida. Verification and validation are conducted using numerical data from the industry‐standard simulation platform OpenFAST and experimental data from the Floating Offshore‐wind and Controls Advanced Laboratory (FOCAL) project, in which the authors were involved. Numerical results demonstrate the model's ability to qualitatively capture loads and responses across various load cases, highlighting the impact of the control system under different wind and wave conditions and opening new opportunities for optimizing FOWT designs. This paper provides wind turbine researchers with valuable insights into system characteristics, system frequencies, damping effects, and internal reaction forces, serving as a reference for future studies in FOWT modeling and control.

17 WIND ENERGY↗
DOE OSTI2025

Investigation of an octupole breathing mode of 208 Pb as a resolution to the elliptical-to-triangular azimuthal anisotropy puzzle in ultracentral relativistic heavy ion collisions

Relativistic heavy ion collisions provide a unique opportunity to probe the nuclear structure by taking an instantaneous snapshot of the colliding nuclei and converting it into momentum anisotropies of final emitted hadrons. A long-standing puzzle of too large a ratio of the elliptical-to-triangular (𝑣 2 -to-𝑣 3 ) anisotropies in ultracentral 208 Pb + 208 Pb collisions at the Large Hadron Collider (LHC) cannot be solved simply by hydrodynamic simulations with initial conditions containing the spherical or certain deformed shape of 208 Pb. Here, in this Letter, using the iEBE-VISHNU relativistic viscous hydrodynamic hybrid model simulations with the TR⁢ENTo initial condition, we show that a dynamic octupole deformation—a shape-breathing mode of 208 Pb —could potentially solve the 𝑣2-to-𝑣3 puzzle and simultaneously describe the 𝑣 3 ⁡{4} data measured in experiment. Our results highlight the unique capability of capturing transient collective properties of nuclei on yoctosecond (10 −24 s) timescales, unfeasible with low-energy nuclear reactions.

Xu, Hao-jie [Huzhou University, Zhejiang (China)] ↗
DOE OSTI2025

FY25 MOOSE Usability Improvements: 3D Meshing Capabilities, Initiation of Geometry Support for Monte Carlo Tools, and Enhancement of MOOSE/Workbench User Input Interactions

Usability improvements have been made to MOOSE and Workbench in FY25 to enhance usability and user workflows. Assorted enhancement have been made to MOOSE’s intrinsic meshing capabilities in order to enable more flexible and complex meshing of nuclear reactor systems, in particular for 3D applications. Mesh generators have been added to perform operations such as batch mesh generation, surface mesh generation, and creation of 3D transition layers. These mesh generation capabilities make it much easier to generate high quality non-extruded 3D meshes. Additionally, work to integrate Monte Carlo reactor physics simulations into MOOSE-based multi-physics workflows has reached another milestone with the implementation of the Constructive Solid Geometry (CSG) base framework. This framework lays the foundation for mesh generators to offer the user a generic CSG output option (as opposed to a finite element mesh). To support users, workshop on the MOOSE Reactor Module was delivered which featured hands-on examples using the NEAMS Workbench on INL’s High Performance Computing system. Recent updates to the NEAMS Workbench, WASP, and the MOOSE language server have introduced several improvements aimed at making MOOSE-based simulation setup and input management faster, more accurate, and easier to use. Key capabilities that have been added include multi-tab-stop autocompletion, visual input diagnostics, developer-directed data visualizations, upgraded ParaView integration, and Workspace-level file tracking. Together, these changes make it easier for users to build, validate, and manage complex MOOSE-based simulation models — especially those involving reusable components, included files, and datasets. The improvements are designed to save time, reduce input errors, and help users get to a successful simulation run faster, with more confidence in the results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Status of the CERBERUS Evaluation for the International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook

Modeling & Simulation (M&S) tools are used to analyze advanced reactor designs and the safety of current nuclear operations. As computers continue to improve, we are able to enhance resolution in our calculations. Therefore, the limitations of simulation capability are in the quality of data that is being used, including our ability to quantify the uncertainty and sensitivity of that data. In order to model systems of interest with increasing accuracy, the industry must improve key nuclear data measurements. The International Criticality Safety Benchmark Evaluation Project (ICSBEP) compiles and evaluates experiment data in a handbook that can be used by criticality safety engineers and others to validate computer codes and cross section libraries at nuclear facilities. Both critical and subcritical experiments are included in the handbook. These experiments, along with differential measurements, can help improve the quality of nuclear data. Concerns regarding the accuracy of Cu nuclear data have been published. The large values and trend of C-E for the Zeus intermediate energy benchmark, being one of the primary examples. Furthermore, very few experiments have been designed to be sensitive to Cu (as shown in Figure 1), so an integral, critical experiment is needed to help resolve these differences.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Surrogate modeling and optimization of the leaching process in a rare earth elements recovery plant

Critical minerals (CMs) and Rare Earth Elements (REEs) play a vital role in crucial infrastructure technologies such as renewable energy generation and batteries. Recovering them from waste materials has recently been found to significantly reduce environmental impact and supply chain costs related to these materials. In this work, we investigate surrogate modeling techniques aimed to simplify the modeling, simulation, and optimization of the leaching processes involved in CM and REE recovery flowsheets. As there is currently a lack of systematic studies on this topic, we perform extensive computational testing to ascertain which surrogate models are easier to construct and offer high predictive accuracy. Further, our results suggest that sparse quadratic models balance predictive accuracy and computational efficiency. Training and using these surrogates for global optimization of the leaching process requires two orders of magnitude fewer measurements and is up to four orders of magnitude faster than optimizing the original simulation using equation-oriented optimization or derivative-free optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Observational Data for Next-Generation Climate Model Evaluation: Requirements, Considerations, and Best Practices

Climate model simulations are an important source of information about our planet’s climate system and also enable informed decision-making under different future scenarios. As a new archive of results from the next generation of climate models is anticipated to become available with the Coupled Model Intercomparison Project phase 7 (CMIP7), the need to develop efficient and robust methods to evaluate models is paramount. Observations are an integral part of model evaluation, providing a means to quantify and understand the degree to which climate models can faithfully reproduce Earth system processes. Such analysis is critical for constraining climate projections, identifying areas of focus for model development, and assisting analysts in deciphering the utility of models for specific applications. Observations of Earth system come from a diversity of sources, span different space–time domains, and are produced by different communities, and each dataset features different data structures and formats, metadata standards, and its own unique uncertainties. Uncertainties in an observational dataset may stem from gaps in temporal and spatial coverage, instrumentation errors, or assumptions in retrieval and processing methods. How then does one ensure that observational data are ready for use and utilized in the most appropriate way for robust, rapid, and routine climate model evaluation? The CMIP7 Model Benchmarking Task Team with input from the broader climate modeling, model evaluation, and observational data communities present a vision and considerations for best practices toward the optimal and appropriate use of observational data to support next-generation climate model evaluation.

Climate models↗
DOE OSTI2025

Emulator-based Bayesian calibration of a subglacial drainage model

Subglacial drainage models, often motivated by the relationship between hydrology and ice flow, sensitively depend on numerous unconstrained parameters. We explore using borehole water-pressure time series to calibrate the uncertain parameters of a popular subglacial drainage model, taking a Bayesian perspective to quantify the uncertainty in parameter estimates and in the calibrated model predictions. To reduce the computation time associated with Markov Chain Monte Carlo sampling, we construct a fast Gaussian process emulator to stand in for the subglacial drainage model. We first carry out a calibration experiment using synthetic observations consisting of model simulations with hidden parameter values as a demonstration of the method. Using real borehole water pressures measured in western Greenland, we find meaningful constraints on four of the eight model parameters and a factor-of-three reduction in uncertainty of the calibrated model predictions. These experiments illustrate Gaussian process-based Bayesian inference as a useful tool for calibration and uncertainty quantification of complex glaciological models using field data. However, significant differences between the calibrated model and the borehole data suggest that structural limitations of the model, rather than poorly constrained parameters or computational cost, remain the most important constraint on subglacial drainage modelling.

58 GEOSCIENCES↗
DOE OSTI2025

Applying Gaussian Process Machine Learning and Modern Probabilistic Programming to Satellite Data to Infer CO 2 Emissions

Satellite data provides essential insights into the spatiotemporal distribution of CO 2 concentrations. However, many atmospheric inverse models fail to adequately incorporate the spatial and temporal correlations inherent in satellite observations and often lack rigorous methods for estimating parameters like spatial length scales. We introduce an inference model that processes the spatiotemporal covariance in satellite data and estimates hyperparameters such as covariance length scales. Our approach uses the Gaussian process (GP) machine learning (ML) and modern probabilistic programming languages (PPLs) to perform atmospheric inversions of emissions from satellite data. We develop a GP ML inversion system based on modern PPLs and the GEOS-Chem chemical transport model, simulating atmospheric CO 2 concentrations corresponding to the Orbiting Carbon Observatory-2/3 (OCO-2/3) data for July 2020. In our supervised learning framework, we treat the GEOS-Chem simulated data set as the target, with predictors derived by scaling the target with sector-specific factors hidden from the GP machine. Our results show that the GP model, combined with GPU-enabled PPLs, effectively retrieves true emission scaling factors and infers noise levels concealed within the data. This suggests that our method could be applied over larger areas with more complex covariance structures, enabling comprehensive analysis of the spatiotemporal patterns observed in OCO-2/3 and similar satellite data sets.

54 ENVIRONMENTAL SCIENCES↗