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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

A Large-Particle Monte Carlo Code for Simulating Non-Linear High-Energy Processes Near Compact Objects

High-energy radiation processes in compact cosmic objects are often expected to have a strongly non-linear behavior. Such behavior is shown, for example, by electron-positron pair cascades and the time evolution of relativistic proton distributions in dense radiation fields. Three independent techniques have been developed to simulate these non-linear problems: the kinetic equation approach; the phase-space density (PSD) Monte Carlo method; and the large-particle (LP) Monte Carlo method. In this paper, we present the latest version of the LP method and compare it with the other methods. The efficiency of the method in treating geometrically complex problems is illustrated by showing results of simulations of 1D, 2D and 3D systems. The method is shown to be powerful enough to treat non-spherical geometries, including such effects as bulk motion of the background plasma, reflection of radiation from cold matter, and anisotropic distributions of radiating particles. It can therefore be applied to simulate high-energy processes in such astrophysical systems as accretion discs with coronae, relativistic jets, pulsar magnetospheres and gamma-ray bursts.

Stern, Boris E.↗
NASA NTRS1982

Simulation studies of the physical and chemical processes occurring in the stratospheric clouds of the Mount St. Helens eruptions of May and June 1980

The large and diverse set of observational data collected in the high-altitude clouds of May 18, May 25, and June 13, 1980 was organized and analyzed for trends which reveal the processes at work. The data were used to guide and constrain model simulations of the volcanic eruptions. A comprehensive one-dimensional model of stratospheric sulfate aerosols, sulfur precursor gases, and volcanic ash and dust particles is utilized which accounts for homogeneous and heterogeneous chemistry in the clouds, aerosol nucleation and growth, and cloud expansion. Computational results are given for the time histories of the gaseous species concentrations, sulfate aerosol size dispersions, and ash burdens in the eruption clouds. The long-term buildup of stratospheric aerosols in the Northern Hemisphere and the persistent effects of injected chlorine and water vapor on ozone are discussed. It is concluded that SO2, water vapor, and ash are the most important substances injected by the volcano into the stratosphere, with respect to both the widespread effects on composition and the impact on climate. It is found that the volcano probably had little influence on the climate ( 0.05 K global surface cooling) or on stratospheric ozone ( 0.2 percent maximum hemispherical reduction).

Turco, R. P.↗
DOE OSTI2024

DECA: Discrete Event inspired Cellular Automata for grain structure prediction in additive manufacturing

Microstructure largely dictates macroscopic material properties and is strongly affected by processing. Therefore, the simulation of microstructure evolution in response to thermal fields during processing is of significant interest within the computational materials science community. Additive manufacturing (AM) has emerged as a technique for producing complex geometries and unique microstructures. Yet, complex and rapid thermal cycles in AM pose computational challenges for existing microstructure models. This work proposes a discrete event inspired cellular automata (CA) approach, titled DECA, to accelerate simulation of grain structure evolution in AM. In contrast to conventional time-stepped CA models, this model directly solves the times capture events would take place allowing for stepping in events rather than time (a technique also found in the field of discrete-event simulation). In comparison to purely serial discrete-event models, DECA allows for temporary violation of the causality constraint, but detects and corrects these violations, leading to an emergent phenomenon dubbed causality rippling, in which previously calculated capture events are overwritten. The amount of repeated calculations, defined by the capture ratio, is taken as a measure of computational inefficiency, and the model parameters that affect this ratio are evaluated. The new DECA approach was found to be more computationally efficient than conventional time-stepped CA models while guaranteeing an accurate solution, which can only be achieved in the conventional models for vanishingly small time steps. Finally, opportunities for parallelization and scaling of the new approach are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High-fidelity simulations of the run-in process for a pebble-bed reactor

Pebble-bed reactors (PBRs) rely on a continual feed of fuel pebbles being cycled through the core. As a result, they require a “run-in” period in order to reach an equilibrium state. The run-in period for a PBR is a complex, time-dependent problem that requires the injection of new fuel, different types of fuel, and power increases. This complexity in the run-in makes it important to capture the physical processes in order to generate an accurate representation. The present work details the creation of a high-fidelity Monte Carlo methodology for analyzing the run-in and subsequent approach to equilibrium for PBRs. The methodology entails a Python module wrapped around Serpent so as to perform neutronics calculations, move pebbles, refuel the core, and discharge pebbles, thereby modeling the explicit behavior of the PBR run-in. Further, three run-in simulations (a constant temperature profile, a linear temperature profile, and a constant temperature profile using control rods) were examined in order to identify the key physical phenomena present in the run-in process. Utilizing kugelpy, we found the inclusion of a temperature profile to be important for accurately capturing a discharge burnup (around 141 MWd/kg), a consistent k-eff (around 1.005), and an average pebble power (around 2.5 kW/pebble) that all fall within acceptable limits.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2024

Development of Weigh-out Process and Evaluations for Underwater Partial Gravity Simulations

For the upcoming Artemis lunar missions, astronauts will need to train in a spacesuit where partial gravity can be simulated such as the NASA Neutral Buoyancy Lab (NBL). At the NBL, dive weights and foam can be added around the spacesuit to attain a satisfactory center of buoyancy (CB) and center of gravity (CG) location to simulate the lunar gravity (1/6thG) effects. If CG and CB are not co-located properly, incorrect righting moments can be introduced, and both simulation quality and EVA task performance can be impaired. Based on the findings from the initial testing using xEMU spacesuits, it was observed that the weigh-out method (i.e., determination of the weights and foam quantities and position) needed further development to improve the simulation quality, especially for the subjects who experienced excessive instability. This paper aims to present the on-going effort to improve the weigh-out process for enabling NBL lunar EVA simulations. For this effort, a human-suit model was created to use suit CAD and 3D human body scans to estimate both CB and CG location for each suited subject. NBL weigh-out testing was performed to characterize the effects of CG and CB positioning, in which the 3D human-suit model was used to determine optimal weigh-out combinations of weights and foam. Postural, balance, and subjective feedback were gathered for each weigh-out configuration. The results indicated that, as the CB was shifted higher and the CB and CG located closer to each other, the subject tended to be more stable and their EVA performance improved. A high CB location was then prioritized across 4 additional subjects in both small and large size spacesuits. When compared to the initial xEMU test series, improved performance was observed across all subjects as the CB moved higher and aligned closer to the system CG.

Pouyan Sabahi↗
NASA NTRS2024

Development of Weigh-out Process and Evaluations for Underwater Partial Gravity Simulations

For the upcoming Artemis lunar missions, astronauts will need to train in a spacesuit where partial gravity can be simulated such as the NASA Neutral Buoyancy Lab (NBL). At the NBL, dive weights and foam can be added around the spacesuit to attain a satisfactory center of buoyancy (CB) and center of gravity (CG) location to simulate the lunar gravity (1/6thG) effects. If CG and CB are not co-located properly, incorrect righting moments can be introduced, and both simulation quality and EVA task performance can be impaired. Based on the findings from the initial testing using xEMU spacesuits, it was observed that the weigh-out method (i.e., determination of the weights and foam quantities and position) needed further development to improve the simulation quality, especially for the subjects who experienced excessive instability. This paper aims to present the on-going effort to improve the weigh-out process for enabling NBL lunar EVA simulations. For this effort, a human-suit model was created to use suit CAD and 3D human body scans to estimate both CB and CG location for each suited subject. NBL weigh-out testing was performed to characterize the effects of CG and CB positioning, in which the 3D human-suit model was used to determine optimal weigh-out combinations of weights and foam. Postural, balance, and subjective feedback were gathered for each weigh-out configuration. The results indicated that, as the CB was shifted higher and the CB and CG located closer to each other, the subject tended to be more stable and their EVA performance improved. A high CB location was then prioritized across 4 additional subjects in both small and large size spacesuits. When compared to the initial xEMU test series, improved performance was observed across all subjects as the CB moved higher and aligned closer to the system CG.

Pouyan Sabahi↗
NASA NTRSDate not supplied

Development of Weigh-Out Process and Evaluations for Underwater Partial Gravity Simulations

For the upcoming Artemis lunar missions, astronauts will need to train in a spacesuit where partial gravity can be simulated such as the NASA Neutral Buoyancy Lab (NBL). At the NBL, dive weights and foam can be added around the spacesuit to attain a satisfactory center of buoyancy (CB) and center of gravity (CG) location to simulate the lunar gravity (1/6thG) effects. If CG and CB are not co-located properly, incorrect righting moments can be introduced, and both simulation quality and EVA task performance can be impaired. Based on the findings from the initial testing using xEMU spacesuits, it was observed that the weigh-out method (i.e., determination of the weights and foam quantities and position) needed further development to improve the simulation quality, especially for the subjects who experienced excessive instability. This paper aims to present the on-going effort to improve the weigh-out process for enabling NBL lunar EVA simulations. For this effort, a human-suit model was created to use suit CAD and 3D human body scans to estimate both CB and CG location for each suited subject. NBL weigh-out testing was performed to characterize the effects of CG and CB positioning, in which the 3D human-suit model was used to determine optimal weigh-out combinations of weights and foam. Postural, balance, and subjective feedback were gathered for each weigh-out configuration. The results indicated that, as the CB was shifted higher and the CB and CG located closer to each other, the subject tended to be more stable and their EVA performance improved. A high CB location was then prioritized across 4 additional subjects in both small and large size spacesuits. When compared to the initial xEMU test series, improved performance was observed across all subjects as the CB moved higher and aligned closer to the system CG.

Pouyan Sabahi↗
NASA NTRS2000

Improving the Aircraft Design Process Using Web-Based Modeling and Simulation

Designing and developing new aircraft systems is time-consuming and expensive. Computational simulation is a promising means for reducing design cycle times, but requires a flexible software environment capable of integrating advanced multidisciplinary and multifidelity analysis methods, dynamically managing data across heterogeneous computing platforms, and distributing computationally complex tasks. Web-based simulation, with its emphasis on collaborative composition of simulation models, distributed heterogeneous execution, and dynamic multimedia documentation, has the potential to meet these requirements. This paper outlines the current aircraft design process, highlighting its problems and complexities, and presents our vision of an aircraft design process using Web-based modeling and simulation.

Reed, John A.↗
NASA NTRS2003

Improving the Aircraft Design Process Using Web-based Modeling and Simulation

Designing and developing new aircraft systems is time-consuming and expensive. Computational simulation is a promising means for reducing design cycle times, but requires a flexible software environment capable of integrating advanced multidisciplinary and muitifidelity analysis methods, dynamically managing data across heterogeneous computing platforms, and distributing computationally complex tasks. Web-based simulation, with its emphasis on collaborative composition of simulation models, distributed heterogeneous execution, and dynamic multimedia documentation, has the potential to meet these requirements. This paper outlines the current aircraft design process, highlighting its problems and complexities, and presents our vision of an aircraft design process using Web-based modeling and simulation.

Reed, John A.↗
DOE OSTI2021

Prediction of Probabilistic Shock Initiation Thresholds of Energetic Materials Through Evolution of Thermal-Mechanical Dissipation and Reactive Heating

The ignition threshold of an energetic material (EM) quantifies the macroscopic conditions for the onset of self-sustaining chemical reactions. The threshold is an important theoretical and practical measure of material attributes that relate to safety and reliability. Historically, the thresholds are measured experimentally. In this work, we present a new Lagrangian computational framework for establishing the probabilistic ignition thresholds of heterogeneous EM out of the evolutions of coupled mechanical-thermal-chemical processes using mesoscale simulations. Furthermore, the simulations explicitly account for microstructural heterogeneities, constituent properties, and interfacial processes and capture processes responsible for the development of material damage and the formation of hotspots in which chemical reactions initiate. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, heat conduction, reactive chemical heating, gaseous product generation, and convective heat transfer. To determine the ignition threshold, the minimum macroscopic loading required to achieve self-sustaining chemical reactions with a rate of reactive heat generation exceeding the rate of heat loss due to conduction and other dissipative mechanisms is determined. Probabilistic quantification of the processes and the thresholds are obtained via the use of statistically equivalent microstructure sample sets (SEMSS). The predictions are in agreement with available experimental data.

36 MATERIALS SCIENCE↗
DOE OSTI2026

DTLMod: A simulation framework for in situ workflow optimization

In situ processing workflows have become essential for coping with the explosion in data volume and velocity in large-scale scientific computing, providing domain scientists with early insights at runtime. Multiple frameworks implement this paradigm through a data transport layer (DTL), offering different data access modes and deployment schemes, but researchers currently lack the appropriate tools to assess design and deployment options before committing to costly real experiments. We introduce DTLMod, an open-source simulated DTL that enables performance evaluation of in situ workflow configurations at scale. Built on SimGrid, it links into any SimGrid-based simulator and is available in C++ and Python. We evaluate DTLMod along four axes: scalability (tens of thousands of simulated processes across interconnected clusters in seconds, with linear memory scaling), versatility (three implementation variants trading fidelity for speed), accuracy (simulated times faithfully reflecting real behavior), and practical utility (two use cases demonstrating evidence-based workflow design decisions).

Suter, Fred [ORNL] (ORCID:0000000319021955)↗
DOE OSTI2023

Simplified Models of the Bicarbonate Buffer for Scaled Simulations of CO 2 Electrolyzers

Bicarbonate electrolytes are used in a range of chemical processes; however, resolved simulation of these electrolytes is difficult, as disparate reaction time scales lead to numerical stiffness and the formation of fine boundary layers. Based on several physically motivated approximations, we reduce the full set of chemical reactions within a bicarbonate electrolyte to a simpler subset, eliminating the numerical stiffness. We supported this simplification via a two-variable singular perturbation expansion and demonstrated that under neutral conditions (6 < pH < 10) typically found within a fluid-fed CO 2 electrolyzer, the simplifications lead to negligible error. Here, we also discuss two alternative simplifications, one valid at high pH and another valid at arbitrary pH. These simplifications reduce the condition number of the matrices resulting from spatiotemporal discretization by up to 10 orders of magnitude and enable three-dimensional (3D) simulation of CO 2 electrolyzers containing carbonate solutions.

10 SYNTHETIC FUELS↗
DOE OSTI2022

Experimentally validated high-fidelity simulations of a liquid jet in supersonic crossflow

Here, utilizing recent advancements in computational schemes for compressible, multiphase flows, this work features a parametric study of a pure liquid jet in supersonic crossflow that involves simulating the atomization process for four values of momentum-flux ratio. These simulations are validated against experimental results measured with high-speed X-ray imaging, which confirm the accuracy of the numerical approach. Also, the effect of numerical resolution on some flow behavior is investigated, revealing convergence of the jet shape and surface instability wavelength. Analysis of the resulting sprays includes statistical descriptions of the liquid distribution, liquid structures created through breakup, interfacial instabilities, and dominant flow features. As the flowrate increases, the spray penetrates further, it becomes more disperse, and less liquid impacts the wall, but the droplet size distribution changes little. The wavelength of instabilities on the windward side of the jet diverges from measured trends in subsonic crossflows. In a visualization of the time-averaged flow, counter-rotating vortices are observed along the jet core and in the wake, affecting the process of primary atomization and early droplet trajectories.

42 ENGINEERING↗
NASA NTRS1979

Dynamics of the accumulation process of the Earth group of planets: Formation of the reverse rotation of Venus

A numerical simulation of the process of formation of the terrestrial planets is carried within the framework of a new theory for the accumulation of planetary and satellite systems. The numerical simulation permitted determining the parameters of the protoplanetary disk from which Mercury, Venus and the Earth were formed as result of the evolution. The acquisition of a slow retrograde rotation for Venus was discovered during the course of the investigation, whereas Mercury and the Earth acquired direct rotation about their axes. Deviations of the semimajor axes of these three planets as well as the masses of the Earth and Venus from the true values are small as a rule (l 10%). It is shown that during the accumulation of the terrestrial planets, there existed a profound relationship between the process of formation of the orbits and masses of the planet and the process of formation of their rotation about their axes. Estimates are presented for the radii of the initial effective bodies and the time of evolution for the terrestrial accumulation zone.

Koslov, N. N.↗
NASA NTRS1975

Laser Doppler velocimeter system simulation for sensing aircraft wake vortices. Part 2: Processing and analysis of LDV data (for runs 1023 and 2023)

A data analysis program constructed to assess LDV system performance, to validate the simulation model, and to test various vortex location algorithms is presented. Real or simulated Doppler spectra versus range and elevation is used and the spatial distributions of various spectral moments or other spectral characteristics are calculated and displayed. Each of the real or simulated scans can be processed by one of three different procedures: simple frequency or wavenumber filtering, matched filtering, and deconvolution filtering. The final output is displayed as contour plots in an x-y coordinate system, as well as in the form of vortex tracks deduced from the maxima of the processed data. A detailed analysis of run number 1023 and run number 2023 is presented to demonstrate the data analysis procedure. Vortex tracks and system range resolutions are compared with theoretical predictions.

Meng, J. C. S.↗
DOE OSTI2023

COUPLING SMOOTHED PARTICLE HYDRODYNAMICS WITH FINITE ELEMENT METHOD TO SIMULATE RESIDUAL STRESSES FROM FRICTION STIR PROCESSING

Friction stir processing (FSP) is a solid-state material processing technique that locally modifies the microstructure but also induces undesirable residual stresses. A robust numerical model for the FSP can help in mitigating these residual stresses. Heat source models within a finite element method (FEM) framework suffer from inaccuracies. In contrast, smoothed particle hydrodynamics (SPH) model that explicitly captures the material flow near the tool and the associated heat generation are accurate. However, the computational expense of SPH simulations can be prohibitive. In this work, we propose a coupled SPH-FEM framework. SPH is used to model the heat generation accurately near the tool and which is then inserted into to the FEM model as a heat source. To verify this proposed coupling approach, a test case is set up with typical FSP conditions and it is modeled in both SPH and SPH-FEM. The temperatures profiles were compared after the simulations have reached steady-state temperatures. The similarity of the temperature profiles from SPH-FEA and SPH validated the proposed coupling approach. This proposed approach achieves the accuracy of the SPH method while potentially retaining the low computational expense of FEM.

smoothed particle hydrodynamics, Finite Element Me↗
DOE OSTI2024

Effective direct steam regeneration of bis-iminoguanidine solid sorbent used for carbon dioxide capture

A cost-effective, energy-efficient sorbent regeneration process for phase-changing guanidines used for CO 2 capture was developed based on direct-steam stripping. This approach enhances the regeneration rate, simplifies the overall CO 2 capture process, and reduces the energy cost compared to conventional conductive thermal regeneration. A direct-steam sorbent regeneration reactor was developed, demonstrating that aqueous bis(iminoguanidines) (BIG) sorbents, e.g., methylglyoxal-bis(iminoguanidine) (MGBIG) and glyoxal-bis(iminoguanidine) (GBIG), could be efficiently regenerated with up to ~ 99 % CO 2 recovery through direct-steam stripping. Using low-temperature steam at 100 °C, a 4.5 times faster regeneration rate for GBIG carbonate sorbent (e.g., 30 min for 10 g) was demonstrated compared to conductive-heating (e.g., 135 min for 10 g) at 130 °C. Additionally, fully regenerated MGBIG converts into an aqueous MGBIG solution when the steam condenses onto the sorbent surface. Condensed steam with the guanidine can be easily recycled as an aqueous solution into the gas–liquid contactor to achieve a continuous-flow CO 2 -capture process. Molecular dynamics simulation was employed to provide a better understanding of the process. Higher heat transfer rates from steam to guanidine carbonate, compared to air heating, were attributed to the vibration resonance of water molecules within MGBIG with that of vapor molecules and the effective transfer of kinetic energy from vapor to solid. Technoeconomic analysis demonstrated that direct-steam stripping significantly decreases the CO 2 capture cost by 50 % compared to traditional conductive heating methods. Further, enhanced mass transfer facilitated by low-temperature steam and subsequent condensation effectively heats up the H 2 O-containing BIG-carbonate crystals, facilitating the desorption of CO 2 from the solid crystals, thereby leading to fast, effective, and energy-efficient sorbent regeneration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗