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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 793 records · Page 44

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DOE OSTI2026

High-Resolution Regional Atmosphere–Ocean–Wave Coupled Simulations of Hurricane Henri (2021)

To explore the integrated effects of ocean and ocean surface wave related physical processes on TC simulations, a set of three model simulations is performed. * In experiment 'A', the event is modeled using the Weather Research Forecasting (WRF) model alone with prescribed Sea Surface Temperature (SST) at 6-hour intervals. * In experiment ‘AO,’ WRF is coupled with the Finite Volume Community Ocean Model (FVCOM), enabling variable exchange between atmosphere and ocean, but without considering ocean surface wave-related physical processes. * In experiment ‘AOW’, WRF, FVCOM, and Simulating WAves Nearshore (SWAN) exchange variables with each other every hour through the OASIS3-MCT Coupler to allow direct and indirect atmosphere-ocean-wave interactions. * Observational data are also included in this dataset (Dropsonde, HRD-Radar, NDBC_wave). All simulations are initialized at 18:00 UTC on August 19, 2021, within a domain encompassing the western North Atlantic Ocean. The atmospheric domain features a horizontal resolution of 3 km. The ocean domain, which covers a substantial portion of the WRF ocean domain, employs an unstructured triangular grid with resolutions ranging from 3 km near the coast to 9 km in the open ocean, effectively resolving the complex coastline of the U.S. Northeast Coast. Initial and boundary conditions for the atmosphere model are obtained from the 6-hourly 0.25° NCEP (National Centers for Environmental Prediction) Global Forecast System (GFS; NCEP, 2015) data.

17 WIND ENERGY↗

DOE OSTI2026

High-Resolution Regional Atmosphere–Ocean–Wave Coupled Simulations of Hurricane Henri (2021)

17 WIND ENERGY↗

DOE OSTI2022

Molecular dynamics simulation of seeded crystal growth in glass

The mechanism of non-congruent growth of a crystal from glass has been sought using molecular dynamics simulations. Specifically, as a model of this process, the growth of a lithium niobate (LiNbO 3 ) crystal seed sandwiched between two lithium niobosilicate (LNS) glass slabs has been simulated as a function of time and temperature. The growth of pre-existing crystal is strongly affected by the orientation of crystal seed, temperature, and the SiO 2 concentration in the surrounding LNS glass matrix. The orientation of LiNbO 3 seed surface that has inherently larger interplanar distance results in a relatively slower crystal growth. The addition of SiO 2 to LNS system significantly decreases the crystal growth, which primarily occurs in the region devoid of Si. The suppressive effect of SiO 2 on growth rate can be traced to the existence of defect complex comprising of Si substituted at the Nb site and a nearby Nb vacancy.

36 MATERIALS SCIENCE↗

NASA NTRS1993

Computational Controls Workstation: Algorithms and hardware

The Computational Controls Workstation provides an integrated environment for the modeling, simulation, and analysis of Space Station dynamics and control. Using highly efficient computational algorithms combined with a fast parallel processing architecture, the workstation makes real-time simulation of flexible body models of the Space Station possible. A consistent, user-friendly interface and state-of-the-art post-processing options are combined with powerful analysis tools and model databases to provide users with a complete environment for Space Station dynamics and control analysis. The software tools available include a solid modeler, graphical data entry tool, O(n) algorithm-based multi-flexible body simulation, and 2D/3D post-processors. This paper describes the architecture of the workstation while a companion paper describes performance and user perspectives.

Venugopal, R.↗

NASA NTRS1972

Digital simulation of continuous error models with application to an instrument landing system error

A digital simulation of the continuous error of the localized beam of a conventional instrument landing system is discussed. The digital simulation was developed during the analysis of space shuttle navigation capabilities. A discrete mathematical model for use on a digital computer is described. The model generates an output random sequence which is equivalent, for simulation purposes, to the desired random process. The model is a system of difference equations driven by a zero-mean Gaussian random sequence.

Merrick, R. B.↗

NASA NTRS1991

Modelling parallel programs and multiprocessor architectures with AXE

AXE, An Experimental Environment for Parallel Systems, was designed to model and simulate for parallel systems at the process level. It provides an integrated environment for specifying computation models, multiprocessor architectures, data collection, and performance visualization. AXE is being used at NASA-Ames for developing resource management strategies, parallel problem formulation, multiprocessor architectures, and operating system issues related to the High Performance Computing and Communications Program. AXE's simple, structured user-interface enables the user to model parallel programs and machines precisely and efficiently. Its quick turn-around time keeps the user interested and productive. AXE models multicomputers. The user may easily modify various architectural parameters including the number of sites, connection topologies, and overhead for operating system activities. Parallel computations in AXE are represented as collections of autonomous computing objects known as players. Their use and behavior is described. Performance data of the multiprocessor model can be observed on a color screen. These include CPU and message routing bottlenecks, and the dynamic status of the software.

Yan, Jerry C.↗

DOE OSTI2019

Oxy-Combustion Modeling for Direct-Fired Supercritical CO 2 Power Cycles

We report that supercritical CO 2 power cycles for fossil energy power generation will likely employ oxy-combustion at very high pressures, possibly exceeding 300 bar. At these high pressures, a direct fired oxy-combustor is more likely to behave like a rocket engine than any type of conventional gas turbine combustor. Issues such as injector design, wall heat transfer, and combustion dynamics may play a challenging role in combustor design. Computational fluid dynamics modeling will not only be useful, but may be a necessity in the combustor design process. To accurately model turbulent reacting flows, combustion submodels appropriate for the conditions of interest as defined by the turbulent time and length scales as well as chemical kinetic time scales are necessary. Here, this paper presents a comparison of various turbulence–chemistry interaction (TCI) modeling approaches on a canonical, single injector, direct-fired sCO 2 combustor. Large eddy simulation is used to model the turbulent combustion process with varying levels of injector oxygen concentration while comparing the effect of the combustion submodel on CO emissions and flame shape. While experimental data are not yet available to validate the simulations, the sensitivity of CO production and flame shape can be studied as a function of combustion modeling approach and oxygen concentration in an effort to better understand how to approach combustion modeling at these unique conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Oil Recovery Prediction for Polymer Flood Field Test of Heavy Oil on Alaska North Slope Via Machine Assisted Reservoir Simulation

The first ever polymer flood field pilot to enhance the recovery of heavy oils on the Alaska North Slope is ongoing. This study constructs and calibrates a reservoir simulation model to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding, as indicated by a significant decrease in water cut. Later, transmissibility contrasts are reinstated to replicate a water surge event observed in one of the producing wells during polymer flooding. This event may represent decreased injection conformance from fracture overextension; its anticipated occurrence in the other production well is included in the final forecast. The definition of polymer retention in the simulator incorporates the tailing effect reported in laboratory studies; this tailing effect is useful to the simultaneous history match of producing water cut and produced polymer concentration. The top 24 best-matched simulation models produced at each stage of the history matching process are used to forecast oil recovery. The final forecast clearly demonstrates that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone. This exercise displays that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the benefits of an enhanced oil recovery process such as polymer flooding. Therefore, caution is recommended in using basic waterflood simulation models to scope potential enhanced oil recovery projects.

Keith, Cody Douglas↗

DOE OSTI2020

Heat Integration Optimization and Dynamic Modeling Investigation for Advancing the Coal-Direct Chemical Looping Process

The purpose of the project is to address the optimization and startup operation of a modular coal direct chemical looping (CDCL) combustion system integrated with a steam cycle for power generation to reduce the risks involved in further scale-up of the technology. The modular reactor design of the CDCL process provides flexibility in the fabrication of the reactor and in its operating capacity (i.e. turndown ratio) at the cost of a more complex heat exchange network (HEN) design and integration. To address the technology gaps and advance the efficiency and economic feasibility of the CDCL technology, the project will perform a detailed and comprehensive analysis of the integration of a modular CDCL reactor system and a steam cycle system under both static and transient conditions via HEN process performance simulations and system dynamic modeling, respectively. The scope of work consists of 1) Experimental and computational studies of the CDCL combustor reactor 2) Comprehensive static (i.e. steady-state) system HEN design analysis in CDCL 550 MWe commercial unit for power generation and 3) Dynamic modeling of site specific design of 10MWe CDCL large pilot plant. The project team has successfully developed and validated a kinetic model for the oxidation of oxygen carriers in the combustor using the unreacted shrinking core model (UCSM). The model is capable of capturing the oxidation kinetics of fully or partially reduced oxygen carrier particles. A computational fluid dynamics (CFD) model is developed to simulate the hydrodynamics, heat transfer, and chemical reaction occurring in the CDCL combustor. The model is developed in MFIX and ANSYS Fluent. Key aspects of CDCL combustor operation, including heat transfer, oxygen carrier oxidation, and the transport of oxygen carrier particles, are simulated using this CFD model. The HEN for a commercial scale 550 MWe CDCL power plant is simulated and optimized using ASPEN Plus. Practical design considerations are incorporated based on industrial experiences. The performance and cost for the commercial CDCL plant is updated based on these analyses. A dynamic model for the 10 MWe CDCL pilot plant is developed in ProTRAX simulation software. The model is based on the pilot plant design developed in project DE-FE0027654 “10 MWe CDCL Large Pilot Plang – Pre-FEED Study” and the steam cycle data obtained from Dover Light & Power plant. The transient behaviors during pilot plant load variation are simulated using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2023

Benchmarking the PCMCI Causal Discovery Algorithm for Spatiotemporal Systems

Causal discovery algorithms construct hypothesized causal graphs that depict causal dependencies among variables in observational data. While powerful, the accuracy of these algorithms is highly sensitive to the underlying dynamics of the system in ways that have not been fully characterized in the literature. In this report, we benchmark the PCMCI causal discovery algorithm in its application to gridded spatiotemporal systems. Effectively computing grid-level causal graphs on large grids will enable analysis of the causal impacts of transient and mobile spatial phenomena in large systems, such as the Earth’s climate. We evaluate the performance of PCMCI with a set of structural causal models, using simulated spatial vector autoregressive processes in one- and two-dimensions. We develop computational and analytical tools for characterizing these processes and their associated causal graphs. Our findings suggest that direct application of PCMCI is not suitable for the analysis of dynamical spatiotemporal gridded systems, such as climatological data, without significant preprocessing and downscaling of the data. PCMCI requires unrealistic sample sizes to achieve acceptable performance on even modestly sized problems and suffers from a notable curse of dimensionality. This work suggests that, even under generous structural assumptions, significant additional algorithmic improvements are needed before causal discovery algorithms can be reliably applied to grid-level outputs of earth system models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

High Speed Tribology of the Head-Disk Interface by Computer Simulation Final Report CRADA No. TC-297-92-C

The purpose of this project is to develop and validate a molecular dynamics model of nanoscale tribological processes occurring inside the head-disk interface of magnetic recording devices. Within the three years of the project the partners will: write a new molecular dynamics computer simulation code for growth, sliding and impact inside the head-disk interface; identify accurate models for chemical bonding within coatings used to protect magnetic surfaces, especially amorphous carbon thin films; simulate the growth of amorphous carbon thin films and analyse the resulting chemical bonding; simulate friction and wear processes relevant to the head-disk interface; and validate the model through comparison with AFM and nanoindenter studies of friction and wear of amorphous carbon thin films.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Distributed simulation of network protocols

Simulations of high speed network protocols are very CPU intensive operations requiring very long run times. Very high speed network protocols (Gigabit/sec rates) require longer simulation runs in order to reach a steady state, while at the same time requiring additional CPU processing for each unit of time because of the data rates for the traffic being simulated. As protocol development proceeds and simulations provide insights into any problems associated with the protocol, the simulation model often must be changed to generate additional or finer statistical performance information. Iterating on this process is very time consuming due to the required run times for the simulation models. The results of the efforts to distribute a high speed ring network protocol, Carrier Sensed Multiple Access/Ring Network (CSMA/RN), are presented.

Paterra, Frank↗

DOE OSTI2019

Gaussian-Process-Driven Adaptive Sampling for Reduced-Order Modeling of Texture Effects in Polycrystalline Alpha-Ti

Data-driven tools for finding structure–property (S–P) relations, such as the Materials Knowledge System (MKS) framework, can accelerate materials design, once the costly and technical calibration process has been completed. In this paper, a three-model method is proposed to reduce the expense of S–P relation model calibration: (1) direct simulations are performed as per (2) a Gaussian process-based data collection model, to calibrate (3) an MKS homogenization model in an application to α-Ti. The new methods are compared favorably with expert texture selection on the performance of the so-calibrated MKS models. Benefits for the development of new and improved materials are discussed.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Optimizing radiotherapy protocols using computer automata to model tumour cell death as a function of oxygen diffusion processes

The concept of hypofractionation is gaining momentum in radiation oncology centres, enabled by recent advances in radiotherapy apparatus. The gain of efficacy of this innovative treatment must be defined. We present a computer model based on translational murine data for in silico testing and optimization of various radiotherapy protocols with respect to tumour resistance and the microenvironment heterogeneity. This model combines automata approaches with image processing algorithms to simulate the cellular response of tumours exposed to ionizing radiation, modelling the alteration of oxygen permeabilization in blood vessels against repeated doses, and introducing mitotic catastrophe (as opposed to arbitrary delayed cell-death) as a means of modelling radiation-induced cell death. Published data describing cell death in vitro as well as tumour oxygenation in vivo are used to inform parameters. Our model is validated by comparing simulations to in vivo data obtained from the radiation treatment of mice transplanted with human prostate tumours. We then predict the efficacy of untested hypofractionation protocols, hypothesizing that tumour control can be optimized by adjusting daily radiation dosage as a function of the degree of hypoxia in the tumour environment. Further biological refinement of this tool will permit the rapid development of more sophisticated strategies for radiotherapy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Validation of Numerical Tools for Calculating Reactivity Feedback in Sodium Fast Reactors Using SEFOR Experimental Data

The Southwest Experimental Fast Oxide Reactor (SEFOR) was an experimental sodium-cooled fast breeder reactor operated from 1969 to 1972 with experiments designed to measure Doppler reactivity feedback in a wide temperature range from around 350 °F to temperatures approaching the melting point of mixed oxide fuel of around 5000 °F, providing valuable data for code validations. Co-supported by the Department of Energy (DOE) Fast Reactor Program (FRP) and the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, the SEFOR benchmark project focused on using the experimental data to validate numerical tools that are used in industry and academia to design and license sodium-cooled fast reactors (SFRs). By the end of FY-25, substantial progress was achieved in the SEFOR benchmark study. A variety of numerical tools commonly used for modeling SFRs were applied to develop models for SEFOR core configurations I-D, I-E, I-I, and I-J. These included Monte Carlo codes such as MCNP, Serpent, and Shift; deterministic codes such as the legacy Argonne Reactor Computation (ARC) suite and the high-fidelity NEAMS code Griffin; and the system analysis code SAS4A/SASSYS-1 (SAS). Using these models, both SEFOR zero-power experiments and power-ascending tests were successfully simulated. Comparisons were performed against experimental measurements of core criticalities, reflector worth, kinetics parameters (Λ/βeff), isothermal reactivity feedback (from 350 °F to 760 °F at zero power), and power-ascending reactivity feedback (as power increased from 0.4 MW to 17 MW). In general, these comparisons demonstrated very good agreement between numerical results and experimental data. In Fiscal Year 26 (FY-26), the SEFOR benchmark project will continue to address the modeling issues identified in FY-25. Effort will focus on the simulation of reactivity insertion transients in SEFOR core II using the ARC/SAS model. Future work will also focus on incorporating BISON into the SEFOR core modeling process to enable the first Multiphysics simulations of the isothermal tests based on the MOOSE framework.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1980

Computer simulated rate processes in copper vapor lasers

A computer model for metal vapor lasers has been developed which places emphasis on the change of excited state populations of the lasant through inelastic collisions and radiative interaction. Also included are an energy equation for the pumping electrons and rate equations for laser photon densities. Presented are results of calculations for copper vapor with a neon buffer over a range of conditions. General agreement with experiments was obtained.

Harstad, K. C.↗

NASA NTRS1990

Modeling and optimization of a regenerative fuel cell system using the ASPEN process simulator

The Hydrogen-Oxygen Regenerative Fuel Cell System was identified as a key component for energy storage in support of future lunar missions. Since the H2-O2 regenerative electrochemical conversion technology has not yet been tested in space applications, it is necessary to implement predictive techniques to develop initial feasible system designs. The ASPEN simulation software furnishes a constructive medium for analyzing and for optimizing such systems. A rudimentary regenerative fuel cell system design was examined using the ASPEN simulator and this modular approach allows for easy addition of supplementary ancillary components and easy integration with life support systems. The modules included in the preliminary analyses may serve as the fundamental structure for more complicated energy storage systems.

Maloney, Thomas M.↗

NASA NTRS1990

Modeling and optimization of a regenerative fuel cell system using the ASPEN process simulator

The Hydrogen-Oxygen Regenerative Fuel Cell System was identified as a key component for energy storage in support of future lunar missions. Since the H2-O2 regenerative electrochemical conversion technology has not yet been tested in space applications, it is necessary to implement predictive techniques to develop initial feasible system designs. The ASPEN simulation software furnishes a constructive medium for analyzing and optimizing such systems. A rudimentary regenerative fuel cell system design was examined using the ASPEN simulator and this modular approach allows for easy addition of supplementary ancillary components and easy integration with life support systems. The modules included in the preliminary analyses may serve as the fundamental structure for more complicated energy storage systems.

Maloney, Thomas M.↗