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DOE OSTI2025

Surrogate Modeling of Landau Damping with Deep Operator Networks

Kinetic simulations excel at capturing microscale plasma physics phenomena with high accuracy, but their computational demands make them impractical for modeling large-scale space and astrophysical systems. In this context, we build a surrogate model, using Deep Operator Networks (DeepONets), based upon the Vlasov–Poisson simulation data to model the dynamical evolution of plasmas, focusing on the Landau damping process—a fundamental kinetic phenomenon in space and astrophysical plasmas. The trained DeepONets are able to capture the evolution of electric field energy in both linear and nonlinear regimes under various conditions. Extensive validation highlights DeepONets’ robust performance in reproducing complex plasma behaviors with high accuracy, paving the way for large-scale modeling of space and astrophysical plasmas.

plasma astrophysics↗

DOE OSTI2013

Energy Efficient Operation of Ammonia Refrigeration Systems

Ammonia refrigeration systems typically offer many energy efficiency opportunities because of their size and complexity. This paper develops a model for simulating single-stage ammonia refrigeration systems, describes common energy saving opportunities, and uses the model to quantify those opportunities. The simulation model uses data that are typically available during site visits to ammonia refrigeration plants and can be calibrated to actual consumption and performance data if available. Annual electricity consumption for a base-case ammonia refrigeration system is simulated. The model is then used to quantify energy savings for six specific energy efficiency opportunities; reduce refrigeration load, increase suction pressure, employ dual suction, decrease minimum head pressure set-point, increase evaporative condenser capacity, and reclaim heat. Methods and considerations for achieving each saving opportunity are discussed. The model captures synergistic effects that result when more than one component or parameter is changed. This methodology represents an effective method to model and quantify common energy saving opportunities in ammonia refrigeration systems. The results indicate the range of savings that might be expected from common energy efficiency opportunities.

Mohammed, Abdul Qayyum↗

DOE OSTI2014

Evolution and forcing mechanisms of El Niño over the past 21,000 years

The El Niño Southern Oscillation (ENSO) is Earth’s dominant source of interannual climate variability, but its response to global warming remains highly uncertain1. To improve our understanding of ENSO’s sensitivity to external climate forcing, it is paramount to determine its past behaviour by using palaeoclimate data and model simulations. Palaeoclimate records show that ENSO has varied considerably since the Last Glacial Maximum (21,000 years ago), and some data sets predict a gradual intensification of ENSO over the past ~6,000 years. Other attempts to simulate the transient evolution of ENSO have relied on simplified models or snapshot experiments. In this work, we assess a series of transient Coupled General Circulation Model simulations forced by changes in greenhouse gasses, orbital forcing, the meltwater discharge and the ice-sheet history throughout the past 21,000 years. Consistent with most palaeo-ENSO reconstructions, our model simulates an orbitally induced strengthening of ENSO during the Holocene epoch, which is caused by increasing positive ocean–atmosphere feedbacks. During the early deglaciation, ENSO characteristics change drastically in response to meltwater discharges and the resulting changes in the Atlantic Meridional Overturning Circulation and equatorial annual cycle. Increasing deglacial atmospheric CO 2 concentrations tend to weaken ENSO, whereas retreating glacial ice sheets intensify ENSO. The complex evolution of forcings and ENSO feedbacks and the uncertainties in the reconstruction further highlight the challenge and opportunity for constraining future ENSO responses.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Model data for infrastructure-aware simulation of compound flooding at Alligator Bayou Watershed, southeast Texas

This dataset supports infrastructure-aware hydrologic modeling and flood scenario analysis for the Alligator Bayou Watershed, a highly managed urban watershed in Southeast Texas. It includes Jupyter notebooks for figure reproduction, model configuration files, simulation outputs, and derived products used to quantify the influence of engineered stormwater infrastructure on flood behavior across multiple spatial scales. The dataset was generated using the Watershed Workflow Python package and the Advanced Terrestrial Simulator (ATS), enabling integrated surface–subsurface hydrologic simulations on a channel-aligned mesh with explicit representations of pump stations, gate structures, detention basins, and impervious surfaces. Outputs include time series of gate and pump flows, stage observations, and water balance components, as well as spatially explicit fields of peak ponded depth and flood duration across multiple infrastructure scenarios spanning a single-location detention basin expansion, distributed drainage limitations, and compound coastal flooding. These data facilitate full reproducibility of the manuscript figures and support further research on urban flood dynamics and the role of stormwater infrastructure in shaping watershed-scale flood response.

EARTH SCIENCE > OCEANS > COASTAL PROCESSES↗

DOE OSTI2011

COMSOL MULTIPHYSICS MODEL FOR DWPF CANISTER FILLING, REVISION 1

This revision is an extension of the COMSOL Multiphysics model previously developed and documented to simulate the temperatures of the glass during pouring a Defense Waste Processing Facility (DWPF) canister. In that report the COMSOL Multiphysics model used a lumped heat loss term derived from experimental thermocouple data based on a nominal pour rate of 228 lbs./hr. As such, the model developed using the lumped heat loss term had limited application without additional experimental data. Therefore, the COMSOL Multiphysics model was modified to simulate glass pouring and subsequent heat input which, replaced the heat loss term in the initial model. This new model allowed for changes in flow geometry based on pour rate as well as the ability to increase and decrease flow and stop and restart flow to simulate varying process conditions. A revised COMSOL Multiphysics model was developed to predict temperatures of the glass within DWPF canisters during filling and cooldown. The model simulations and experimental data were in good agreement. The largest temperature deviations were {approx} 40 C for the 87 inch thermocouple location at 3000 minutes and during the initial cool down at the 51 inch location occurring at approximately 600 minutes. Additionally, the model described in this report predicts the general temperature trends during filling and cooling as observed experimentally. The revised model incorporates a heat flow region corresponding to the glass pouring down the centerline of the canister. The geometry of this region is dependent on the flow rate of the glass and can therefore be used to see temperature variations for various pour rates. The equations used for this model were developed by comparing simulation output to experimental data from a single pour rate. Use of the model will predict temperature profiles for other pour rates but the accuracy of the simulations is unknown due to only a single flow rate comparison.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

TEAMER - AquaHarmonics High Fidelity WEC Sim PTO and Control Model Validation, Sim Model

Collaborative effort between AquaHarmonics, Sandia National Laboratories (SNL), and the National Renewable Energy Laboratory (NREL) to revise and validate Aquaharmonics' full wave to wire model, allowing for reduced uncertainty and increased understanding of design requirements of a utility scale wave energy converter (WEC). SNL and NREL in collaboration with AquaHarmonics, will set up and run WEC Simulator (WEC-Sim) models of the AquaHarmonics WEC, building off past model developments for inclusion of custom PTO (power take-off) dynamics. The intent is to review, update, and verify or validate a new WEC-Sim model against wave tank experimental data. Furthermore, the WEC-Sim model will be coupled to an energy storage system model to better understand the wave-to-wire functionality. Project is part of the TEAMER (Testing & Expertise for Marine Energy) RFTS (request for technical support) system of WEC research projects. Testing data can be found in the associated MHKDR link below.

16 TIDAL AND WAVE POWER↗

NASA NTRS1995

Parameter identification and modeling of longitudinal aerodynamics

Using a comprehensive flight test database and a parameter identification software program produced at NASA Ames Research Center, a math model of the longitudinal aerodynamics of the Harrier aircraft was formulated. The identification program employed the equation error method using multiple linear regression to estimate the nonlinear parameters. The formulated math model structure adhered closely to aerodynamic and stability/control theory, particularly with regard to compressibility and dynamic manoeuvring. Validation was accomplished by using a three degree-of-freedom nonlinear flight simulator with pilot inputs from flight test data. The simulation models agreed quite well with the measured states. It is important to note that the flight test data used for the validation of the model was not used in the model identification.

Aksteter, J. W.↗

NASA NTRS1995

Object-oriented approach for gas turbine engine simulation

An object-oriented gas turbine engine simulation program was developed. This program is a prototype for a more complete, commercial grade engine performance program now being proposed as part of the Numerical Propulsion System Simulator (NPSS). This report discusses architectural issues of this complex software system and the lessons learned from developing the prototype code. The prototype code is a fully functional, general purpose engine simulation program, however, only the component models necessary to model a transient compressor test rig have been written. The production system will be capable of steady state and transient modeling of almost any turbine engine configuration. Chief among the architectural considerations for this code was the framework in which the various software modules will interact. These modules include the equation solver, simulation code, data model, event handler, and user interface. Also documented in this report is the component based design of the simulation module and the inter-component communication paradigm. Object class hierarchies for some of the code modules are given.

Curlett, Brian P.↗

DOE OSTI2016

SU-F-T-50: Evaluation of Monte Carlo Simulations Performance for Pediatric Brachytherapy Dosimetry

Purpose: Pediatric tumors are generally treated with multi-modal procedures. Brachytherapy can be used with pediatric tumors, especially given that in this patient population low toxicity on normal tissues is critical as is the suppression of the probability for late malignancies. Our goal is to validate the GATE toolkit on realistic brachytherapy applications, and evaluate brachytherapy plans on pediatrics for accurate dosimetry on sensitive and critical organs of interest. Methods: The GATE Monte Carlo (MC) toolkit was used. Two High Dose Rate (HDR) 192Ir brachytherapy sources were simulated (Nucletron mHDR-v1 and Varian VS2000), and fully validated using the AAPM and ESTRO protocols. A realistic brachytherapy plan was also simulated using the XCAT anthropomorphic computational model .The simulated data were compared to the clinical dose points. Finally, a 14 years old girl with vaginal rhabdomyosarcoma was modelled based on clinical procedures for the calculation of the absorbed dose per organ. Results: The MC simulations resulted in accurate dosimetry in terms of dose rate constant (Λ), radial dose gL(r) and anisotropy function F(r,θ) for both sources.The simulations were executed using ∼1010 number of primaries resulting in statistical uncertainties lower than 2%.The differences between the theoretical values and the simulated ones ranged from 0.01% up to 3.3%, with the largest discrepancy (6%) being observed in the dose rate constant calculation.The simulated DVH using an adult female XCAT model was also compared to a clinical one resulting in differences smaller than 5%. Finally, a realistic pediatric brachytherapy simulation was performed to evaluate the absorbed dose per organ and to calculate DVH with respect to heterogeneities of the human anatomy. Conclusion: GATE is a reliable tool for brachytherapy simulations both for source modeling and for dosimetry in anthropomorphic voxelized models. Our project aims to evaluate a variety of pediatric brachytherapy schemes using a population of pediatric phantoms for several pathological cases. This study is part of a project that has received funding from the European Union Horizon2020 research and innovation programme under the MarieSklodowska-Curiegrantagreement.No691203.The results published in this study reflect only the authors view and the Research Executive Agency (REA) and the European Commission is not responsible for any use that may be madeof the information it contains.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Data-Driven Distribution System Load Modeling for Quasi-Static Time-Series Simulation

This paper presents a data-driven distribution system load modeling methodology targeting quasi-static time-series (QSTS) simulation. The proposed methodology is appropriate for modeling down to the level of the customer transformer, and it has three main features: 1) both load pattern diversity and intra-second load variability are considered, 2) the load profiles can be populated for multiple nodes on a circuit in such a way that the diversity factor of the feeder can be defined and tuned, and 3) the load aggregation method can be used to populate the profiles for different nodes at various load aggregation levels. Furthermore, as the foundation of the modeling methodology, variability and diversity libraries have been established based on high-resolution load data collected on customer transformers from real utility feeders. The proposed modeling methodology has been used to build load data sets for both the IEEE 123-bus feeder model and a realistic utility feeder model. The QSTS simulation results on the two evaluation feeders have demonstrated that the load data sets established from the proposed modeling methodology can effectively capture the load impact on feeder operations. For the realistic utility feeder, the effectiveness of the proposed methodology has also been validated by comparing the voltage characteristics of the feeder with modeled loads and the voltage characteristics of realistic voltage data from the same feeder.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

FY2019 Analysis Program Annual Progress Report

The VTO Analysis Program supports mission-critical technology, economic, and interdisciplinary analyses to assist in prioritizing VTO technology investments and to inform research portfolio planning. These efforts provide essential vehicle and market data, modeling and simulation, and integrated and applied analyses, using the unique capabilities, analytical tools, and expertise resident in the national laboratory system.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS2004

Web-Based Toxic Gas Dispersion Model for Shuttle Launch Operations

During the launch of the Space Shuttle vehicle, the burning of liquid hydrogen fuel with liquid oxygen at extreme high temperatures inside the three space shuttle main engines, and the burning of the solid propellant mixture of ammonium perchlorate oxidizer, aluminum fuel, iron oxide catalyst, polymer binder, and epoxy curing agent in the two solid rocket boosters result in the formation of a large cloud of hot, buoyant toxic exhaust gases near the ground level which subsequently rises and entrains into ambient air until the temperature and density of the cloud reaches an approximate equilibrium with ambient conditions. In this paper, toxic gas dispersion for various gases are simulated over the web for varying environmental conditions which is provided by rawinsonde data. The model simulates chemical concentration at ground level up to 10 miles (1 KM grids) in downrange up to an hour after launch. The ambient concentration of the gas dispersion and the deposition of toxic particles are used as inputs for a human health risk assessment model. The advantage of the present model is the accessibility and dissemination of model results to other NASA centers over the web. The model can be remotely operated and various scenarios can be analyzed.

Bardina, Jorge↗

NASA NTRS1980

Identification of a linear model of rotor-fuselage dynamics from nonlinear simulation data

Linear regression techniques are used to obtain 9- and 12-degree-of-freedom linear rotorcraft models from the input-output data generated by a nonlinear, blade-element rotorcraft simulation in hover. The resulting models are used to evaluate the coupling of the fuselage modes with the rotor flapping and lead-lag modes at various frequencies. New techniques are proposed and evaluated to improve the identification process, including a method of verifying the assumed model structure by using data sets generated at different input frequencies.

Duval, R. W.↗

NASA NTRS1990

Stratospheric dynamics and transport studies

A three dimensional General Circulation Model/Transport Model is used to simulate stratospheric circulation and constituent distributions. Model simulations are analyzed to interpret radiative, chemical, and dynamical processes and their mutual interactions. Concurrent complementary studies are conducted using both global satellite data and other appropriate data. Comparisons of model simulations and data analysis studies are used to aid in understanding stratospheric dynamics and transport processes and to assess the validity of current theory and models.

Grose, William L.↗

DOE OSTI2015

Experimental and numerical investigations of beryllium strength models using the Rayleigh-Taylor instability

We present a set of high explosive driven Rayleigh-Taylor strength experiments for beryllium to produce data to distinguish predictions by various strength models. Design simulations using existing strength model parameterizations from Steinberg-Lund and Preston-Tonks-Wallace (PTW) suggested an optimal design that would delineate between not just different strength models, but different parameters sets of the PTW model. Application of the models to the post-shot results, however, suggests growth consistent with little material strength. We focus mostly on efforts to simulate the data using published strength models as well as the more recent RING relaxation model developed at VNIIEF. The results of the strength experiments indicate weak influence of strength in mitigating the growth with the RING model coming closest to predicting the material behavior. Finally, we present shock and ramp-loading recovery experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1987

Impact of solids on composite materials

The failure modes of composite materials as a result of low velocity impact were investigated by simulating the impact with a finite element analysis. An important facet of the project is the modeling of the impact of a solid onto cylindrical shells composed of composite materials. The model under development will simulate the delamination sustained when a composite material encounters impact from another rigid body. The computer equipment was installed, the computer network tested, and a finite element method model was developed to compare results with known experimental data. The model simulated the impact of a steel rod onto a rotating shaft. Pre-processing programs (GMESH and TANVEL) were developed to generate node and element data for the input into the three dimensional, dynamic finite element analysis code (DYNA3D). The finite element mesh was configured with a fine mesh near the impact zone and a coarser mesh for the impacting rod and the regions surrounding the impacting zone. For the computer simulation, five impacting loads were used to determine the time history of the stresses, the scribed surface areas, and the amount of ridging. The processing time of the computer codes amounted from 1 to 4 days. The calculated surface area were within 6-12 percent, relative error when compated to the actual scratch area.

Bronson, Arturo↗

NASA NTRS1990

Low Reynolds number kappa-epsilon modeling with the aid of direct simulation data

The constant C(sub mu) and the near-wall damping function f(sub mu) in the eddy-viscosity relation of the kappa-epsilon model are evaluated from direct numerical simulation (DNS) data for developed channel and boundary layer flow at two Reynolds numbers each. Various existing f(sub mu) model functions are compared with the DNS data, and a new function is fitted to the high-Reynolds-number channel flow data. The epsilon-budget is computed for the fully developed channel flow. The relative magnitude of the terms in the epsilon-equation is analyzed with the aid of scaling arguments, and the parameter governing this magnitude is established. Models for the sum of all source and sink terms in the epsilon-equation are tested against the DNS data, and an improved model is proposed.

Rodi, W.↗

NASA NTRS1993

Low Reynolds number k-epsilon modelling with the aid of direct simulation data

The constant C sub mu and the near-wall damping function f sub mu in the eddy-viscosity relation of the k-epsilon model are evaluated from direct numerical simulation (DNS) data for developed channel and boundary layer flow at two Reynolds numbers each. Various existing f sub mu model functions are compared with the DNS data, and a new function is fitted to the high-Reynolds-number channel flow data. The epsilon-budget is computed for the fully developed channel flow. The relative magnitude of the terms in the epsilon-equation is analyzed with the aid of scaling arguments, and the parameter governing this magnitude is established. Models for the sum of all source and sink terms in the epsilon-equation are tested against the DNS data, and an improved model is proposed.

Rodi, W.↗