Search NASA⌕ Search

SEARCH · Search NASA

Results for “Distributed simulations”

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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations

We introduce the MixPI software to implement path integral molecular dynamics (PIMD) simulations for the study of condensed phase systems where nuclear quantum effects (NQEs) are important. In contrast to existing PIMD simulation software, MixPI enables the implementation of mixed quantum–classical path integral simulations where only a subset of system degrees of freedom (dofs) are treated quantum mechanically in an extended phase space while the remaining dofs are described classically. We expect this software to be particularly useful for simulations of electron and proton transfer in condensed phase systems, as well as for the study of biological and material systems where only a handful of dofs contribute significantly to the observed NQEs. We demonstrate the use of MixPI in two different systems. The first is a simple water model where we implement a set of mixed quantum–classical simulations to compute average energy and radial distribution functions. We use these simulations to benchmark the effectiveness of MixPI and to demonstrate how it enables systematic investigation into the origin of observed NQEs. We then compute radial distribution functions for a system where MixPI is essential: a solvated metal (M 2+ ) cation described using an explicit quantized electron localized on an M 3+ ion in water.

chemical physics↗
NASA NTRS1986

Spiral arms and massive star formation: Analysis of the CO face-on pictures of the galaxy

The face-on distribution of molecular gas in the first Galactic quadrant, derived from the Massachusetts-Stony Brook Galactic Plane CO Survey, was compared to the Galactic distribution of giant radio HII regions. The HII regions were found to preferentially select gas regions of higher than average density (more than twice the mean) and showed a strong correlation with the second power of the gas density. Systematic effects were tested with a Monte Carlo simulated HII region distribution and found to be negligible. The 135 HII regions were selected from the radio catalogs of Downes et at. (1980) and Wink et al. (1982). The HII regions were required to be within the CO survey 1 and b limits, within the solar circle, and not part of the 3 kpc expanding arm. The velocities of the HII regions were tabulated by the catalog authors and obvious associations with known objects and H2CO absorptions were used by them to assign distances. The distance assignments were here grouped into two categories; (1) those HII regions with definite distance assignments (85 objects); and (2) those HII regions with less secure distance assignments and those for which no near-far assignment was possible (50 objects).

Clemens, D. P.↗
NASA NTRS1990

SR90, strontium shaped-charge critical ionization velocity experiment

In May 1986 an experiment was performed to test Alfven's critical ionization velocity (CIV) effect in free space, using the first high explosive shaped charge with a conical liner of strontium metal. The release, made at 540 km altitude at dawn twilight, was aimed at 48 deg to B. The background electron density was 1.5 x 10(exp 4) cu cm. A faint field-aligned Sr(+) ion streak with tip velocity of 2.6 km/s was observed from two optical sites. Using two calibration methods, it was calculated that between 4.5 x 10(exp 20) and 2 x 10(exp 21) ions were visible. An ionization time constant of 1920 s was calculated for Sr from the solar UV spectrum and ionization cross section which combined with a computer simulation of the injection predicts 1.7 x 10(exp 21) solar UV ions in the low-velocity part of the ion streak. Thus all the observed ions are from solar UV ionization of the slow (less than critical) velocity portion of the neutral jet. The observed neutral Sr velocity distribution and computer simulations indicate that 2 x 10(exp 21) solar UV ions would have been created from the fast (greater than critical) part of the jet. They would have been more diffuse, and were not observed. Using this fact it was estimated that any CIV ions created were less than 10(exp 21). It was concluded that future Sr CIV free space experiments should be conducted below the UV shadow height and in much larger background plasma density.

Wescott, Eugene M.↗
DOE OSTI2024

Structural and mechanical properties of monolayer amorphous carbon and boron nitride

Amorphous materials exhibit various characteristics that are not featured by crystals and can sometimes be tuned by their degree of disorder (DOD). Here, we report results on the mechanical properties of monolayer amorphous carbon (MAC) and monolayer amorphous boron nitride (maBN) with different DOD. The pertinent structures are obtained by kinetic-Monte-Carlo (kMC) simulations using machine-learning potentials (MLP) with density-functional-theory (DFT)-level accuracy. An intuitive order parameter, namely the areal fraction F x occupied by crystallites within the continuous random network, is proposed to describe the DOD. We find that F x captures the essence of the DOD: Samples with the same F x but different sizes and arrangements of crystallites, obtained using two distinct kMC procedures, have virtually identical radial distributions functions as well as bond-length and bond-angle distributions. Furthermore, by simulating the fracture process with molecular dynamics, we found that the mechanical responses of MAC and maBN before fracture are mainly determined by F x and are insensitive to the sizes and specific arrangements and to some extent the numbers and area distributions of the crystallites. The behavior of cracks in the two materials is analyzed and found to mainly propagate in meandering paths in the CRN region and to be influenced by crystallites in distinct ways that toughen the material. Furthermore, the present results reveal the relation between structure and mechanical properties in amorphous monolayers and may provide a universal toughening strategy for 2D materials.

2-dimensional systems↗
DOE OSTI2025

Deterministic High-Fidelity Neutronics Simulation of Pebble Bed Reactors Using Pebble Tracking Transport

The pebble tracking transport (PTT) algorithm offers a high-fidelity deterministic approach for neutron transport for pebble bed reactors (PBRs). This approach requires the mesh for the active-core region to consist exclusively of tetrahedral elements, where each node in the pebble-packing region represents a pebble centroid. This paper investigates the application of PTT for full-scale PBRs, considering both the isothermal and the temperature-dependent core conditions. Macroscopic cross sections are generated using Serpent 2 full-core eigenvalue simulations where pebbles are grouped into disjoint subsets using machine learning. To minimize the need for individual cross-section sets for each pebble in the core, K-means clustering is used to group pebbles by temperature and neutronic environment parameters. Here, we compare the multiplication factor and power rate distributions between PTT simulations using the Griffin reactor physics software and reference solutions from Serpent 2. Our analysis shows that a full-core, high-fidelity PTT calculation produces accurate results with minimal local (pebblewise) errors. Additionally, timing results indicate that PTT simulations converge rapidly on modern supercomputing platforms.

Griffin↗
NASA NTRS1996

Parallelization and Visual Analysis of Multidimensional Fields: Application to Ozone Production, Destruction, and Transport in Three Dimensions

The three-dimensional, spectral transport model used in the current project was first successfully integrated over climatological time scales by Dr. Guang Ping Lou for the simulation of atmospheric N2O using the United Kingdom Meteorological Office (UKMO) 4-dimensional, assimilated wind and temperature data set. A non-parallel, FORTRAN version of this integration using a fairly simple N2O chemistry package containing only photo-chemical reactions was used to verify our initial parallel model results. The integrations reproduced the gross features of the observed stratospheric climatological N2O distributions but also simulated the structure of the stratospheric Antarctic vortex and its evolution. Subsequently, Dr. Thomas Kindler, who produced much of the parallel version of our model, enlarged the N2O model chemistry package to include N2O reactions involving O(D-1) and also introduced assimilated wind data from NASA as well as UKMO. Initially, transport calculations without chemistry were run using Carbon-14 as a non-reactive tracer gas with the result that large differences in the transport properties of the two assimilated wind data sets were apparent from the resultant Carbon-14 distributions. Subsequent calculations for N2O, including its chemistry, with the two input winds data sets with verification from UARS satellite observations have refined the transport differences between the two such that the model's steering capabilities could be used to infer the correct climatological vertical velocity fields required to support the N2O observations. During this process, it was also discovered that both the NASA and the UKMO data contained spurious values in some of the higher frequency wave components, leading to incorrect local transport calculations and ultimately affecting the large scale properties of the model's N2O distributions, particularly at tropical latitudes. Subsequent model runs with wind data that had been filtered to remove some of the high frequency components produced much more realistic N2O distributions. During the past few months, the UKMO wind data base for a complete two-year period was processed into spectral form for model use. This new version of the input transport data base now includes complete temperature fields as well as the necessary wind data. This was done to facilitate advanced chemical calculations in the parallel model which often depend upon temperature. Additional UKMO data is being added as it becomes available.

Schwan, Karsten↗
NASA NTRS1972

Two stochastic models useful in petroleum exploration

A model of the petroleum exploration process that tests empirically the hypothesis that at an early stage in the exploration of a basin, the process behaves like sampling without replacement is proposed along with a model of the spatial distribution of petroleum reserviors that conforms to observed facts. In developing the model of discovery, the following topics are discussed: probabilitistic proportionality, likelihood function, and maximum likelihood estimation. In addition, the spatial model is described, which is defined as a stochastic process generating values of a sequence or random variables in a way that simulates the frequency distribution of areal extent, the geographic location, and shape of oil deposits

Kaufman, G. M.↗
NASA NTRS1992

Phase change energy storage for solar dynamic power systems

This paper presents the results of a transient computer simulation that was developed to study phase change energy storage techniques for Space Station Freedom (SSF) solar dynamic (SD) power systems. Such SD systems may be used in future growth SSF configurations. Two solar dynamic options are considered in this paper: Brayton and Rankine. Model elements consist of a single node receiver and concentrator, and takes into account overall heat engine efficiency and power distribution characteristics. The simulation not only computes the energy stored in the receiver phase change material (PCM), but also the amount of the PCM required for various combinations of load demands and power system mission constraints. For a solar dynamic power system in low earth orbit, the amount of stored PCM energy is calculated by balancing the solar energy input and the energy consumed by the loads corrected by an overall system efficiency. The model assumes an average 75 kW SD power system load profile which is connected to user loads via dedicated power distribution channels. The model then calculates the stored energy in the receiver and subsequently estimates the quantity of PCM necessary to meet peaking and contingency requirements. The model can also be used to conduct trade studies on the performance of SD power systems using different storage materials.

Chiaramonte, F. P.↗
NASA NTRS1979

Simulation of the pressure field near a jet by randomly distributed vortex rings

Fluctuations of the pressure field in the vicinity of a jet are simulated numerically by a flow model consisting of axially symmetric vortex rings with viscous cores submerged in a uniform stream. The time interval between the shedding of successive vortices is taken to be a random variable with a probability distribution chosen to match that from experiments. It is found that up to 5 diameters downstream of the jet exit, statistics of the computed pressure field are in good agreement with experimental results. Statistical comparisons are provided for the overall sound pressure level, the peak amplitude, and the Strouhal number based on the peak frequency of the pressure signals.

Fung, Y. T.↗
NASA NTRS2026

NASA JSC’s Simulant Development Lab Capabilities and Artemis Testing

The Simulant Development Lab (SDL) is a multifunctional collaborative workspace that supports the development, curation, analysis, testing, and distribution of planetary regolith simulants – including lunar, Martian, asteroidal, and other granular materials. The lab provides a multidisciplinary setting for scientific characterization of simulant physical properties and for engineering evaluations conducted with simulant test beds. To enable this work, the SDL curates and maintains a stock of more than 35 metric tons of simulant material. To evaluate these materials and support testing goals, the lab is equipped with a comprehensive suite of processing tools and analytical instruments. These capabilities enable the SDL’s mission at NASA’s Johnson Space Center to distribute, develop, process, characterize, and test regolith simulants for mission relevant applications. Through controlled and repeatable testing environments that replicate the physical and compositional properties of lunar regolith, the SDL supports Artemis hardware maturation, providing safe, Earth‑based analogs for evaluating systems that must withstand regolith dust interactions, physical wear and abrasion, and operational loads. The facility’s extensive simulant inventory and integrated geological and engineering test infrastructure accelerate technology readiness for Artemis and future exploration campaigns (e.g., future crewed or robotic missions to Mars).

Simulant Development Lab↗
NASA NTRS2012

Probabilistic Simulation of Multi-Scale Composite Behavior

A methodology is developed to computationally assess the non-deterministic composite response at all composite scales (from micro to structural) due to the uncertainties in the constituent (fiber and matrix) properties, in the fabrication process and in structural variables (primitive variables). The methodology is computationally efficient for simulating the probability distributions of composite behavior, such as material properties, laminate and structural responses. Bi-products of the methodology are probabilistic sensitivities of the composite primitive variables. The methodology has been implemented into the computer codes PICAN (Probabilistic Integrated Composite ANalyzer) and IPACS (Integrated Probabilistic Assessment of Composite Structures). The accuracy and efficiency of this methodology are demonstrated by simulating the uncertainties in composite typical laminates and comparing the results with the Monte Carlo simulation method. Available experimental data of composite laminate behavior at all scales fall within the scatters predicted by PICAN. Multi-scaling is extended to simulate probabilistic thermo-mechanical fatigue and to simulate the probabilistic design of a composite redome in order to illustrate its versatility. Results show that probabilistic fatigue can be simulated for different temperature amplitudes and for different cyclic stress magnitudes. Results also show that laminate configurations can be selected to increase the redome reliability by several orders of magnitude without increasing the laminate thickness--a unique feature of structural composites. The old reference denotes that nothing fundamental has been done since that time.

Chamis, Christos C.↗
NASA NTRSDate not supplied

Hierarchical Mixture of Experts for Advanced Air Mobility Flight Phase Classification

Advanced Air Mobility (AAM) and Urban Air Mobility (UAM) operations will have numerous vehicles and aircraft flying in the airspace, which poses safety and security concerns. Commercial airlines utilize Air Traffic Management (ATM) and Air Traffic Control (ATC) for real-time monitoring, surveillance, traffic coordination, and rerouting to maintain safe and efficient flight patterns. Transferring ATM and ATC architectures to AAM/UAM will be challenging to implement since AAM/UAM aircraft fly at lower altitudes, have more static and dynamic obstacles, operate in highly dense environments, and have several more aircraft to monitor for a given volume of the national airspace (NAS). Aircraft typically have the following flight phases: takeoff, climb, cruise, descent, and landing. Classifying these flight phases provides insight into ensuring safe operations, providing situational awareness of the NAS, and monitoring flights in emergencies. Automatic flight phase classification will enhance the efficiencies of ATM/ATC-like architectures for AAM/UAM, especially since numerous aircraft will be flying in highly dense urban environments. Typical flight phase classification methods are all-or-nothing, which will not capture or accurately classify the transitions between flight phases. Utilizing hierarchical mixture of experts (HME) provides a flight phase classification solution that includes transitions between the flight phases by assigning weights based on ground-based distributed sensor readings from cameras and radar. Adding the transitions between flight phases increases the fidelity of flight phase classification and provides deeper insight into flight phase classification by leveraging distributed sensing concepts. Simulation results and post-processed flight test results demonstrate the utility of HME for automatic and robust flight phase classification for real-time AAM operations.

distributed sensing↗
NASA NTRS1988

Time scales for formation and spreading of velocity shells of pickup ions in the solar wind

This paper discusses the process of assimilation (pickup) by the solar wind of newly ionized atoms and molecules. Generally, the pickup process is considered to evolve in three stages: (1) the initial interaction of newly created ions with the interplanetary magnetic field to form the ring-beam distribution; (2) pitch angle scattering of the ring beam to form a hollow shell; and (3) slower velocity diffusion to form a partially filled-in shell distribution. Using numerical simulations of turbulence such as would occur naturally in the solar wind and such as would be encountered near cometary bow shocks, the processes of shell formation and evolution are studied, and the results are used to estimate the time scales for shell formation and diffusion in several situations of recent observational interest, the interstellar He data obtained by AMPTE and cometary ion pickup distributions obtained by various spacecraft at comets Giacobini-Zinner and Halley.

Gaffey, J. D., Jr.↗
NASA NTRS2013

Modeling of 2008 Kasatochi Volcanic Sulfate Direct Radiative Forcing: Assimilation of OMI SO2 Plume Height Data and Comparison with MODIS and CALIOP Observations

Volcanic SO2 column amount and injection height retrieved from the Ozone Monitoring Instrument (OMI) with the Extended Iterative Spectral Fitting (EISF) technique are used to initialize a global chemistry transport model (GEOS-Chem) to simulate the atmospheric transport and lifecycle of volcanic SO2 and sulfate aerosol from the 2008 Kasatochi eruption, and to subsequently estimate the direct shortwave, top-of-the-atmosphere radiative forcing of the volcanic sulfate aerosol. Analysis shows that the integrated use of OMI SO2 plume height in GEOS-Chem yields: (a) good agreement of the temporal evolution of 3-D volcanic sulfate distributions between model simulations and satellite observations from the Moderate Resolution Imaging Spectroradiometer (MODIS) and Cloud-Aerosol Lidar with Orthogonal Polarisation (CALIOP), and (b) an e-folding time for volcanic SO2 that is consistent with OMI measurements, reflecting SO2 oxidation in the upper troposphere and stratosphere is reliably represented in the model. However, a consistent (approx. 25 %) low bias is found in the GEOS-Chem simulated SO2 burden, and is likely due to a high (approx.20 %) bias of cloud liquid water amount (as compared to the MODIS cloud product) and the resultant stronger SO2 oxidation in the GEOS meteorological data during the first week after eruption when part of SO2 underwent aqueous-phase oxidation in clouds. Radiative transfer calculations show that the forcing by Kasatochi volcanic sulfate aerosol becomes negligible 6 months after the eruption, but its global average over the first month is -1.3W/sq m, with the majority of the forcing-influenced region located north of 20degN, and with daily peak values up to -2W/sq m on days 16-17. Sensitivity experiments show that every 2 km decrease of SO2 injection height in the GEOS-Chem simulations will result in a approx.25% decrease in volcanic sulfate forcing; similar sensitivity but opposite sign also holds for a 0.03 m increase of geometric radius of the volcanic aerosol particles. Both sensitivities highlight the need to characterize the SO2 plume height and aerosol particle size from space. While more research efforts are warranted, this study is among the first to assimilate both satellite-based SO2 plume height and amount into a chemical transport model for an improved simulation of volcanic SO2 and sulfate transport.

Wang, J.↗
NASA NTRS1998

Magnetotail Structure and its Internal Particle Dynamics During Northward IMF

This study uses Global magnetohydrodynamic (MHD) simulations driven by solar wind data along with Geotail observations of the magnetotail to investigate the magnetotail's response to changes in the interplanetary magnetic field (IMF); observed events used in the study occurred on March 29, 1993 and February 9, 1995. For events from February 9, 1995, we also use the time-dependent MHD magnetic and electric fields and the large-scale kinetic (LSK) technique to examine changes in the Geotail ion velocity distributions. Our MHD simulation shows that on March 29, 1993, during a long period of steady northward IMF, the tail was strongly squeezed and twisted around the Sun-Earth axis in response to variations in the IMF B(sub y) component. The mixed (magnetotail and magnetosheath) plasma observed by Geotail results from the spacecraft's close proximity to the magnetopause and its frequent crossings of this boundary. In our second example (February 9, 1995) the IMF was also steady and northward, and in addition had a significant B(sub y) component. Again the magnetotail was twisted, but not as strongly as on March 29, 1993. The Geotail spacecraft, located approximately 30 R(sub E) downtail, observed highly structured ion distribution functions. Using the time-dependent LSK technique, we investigate the ion sources and acceleration mechanisms affecting the Geotail distribution functions during this interval. At 1325 UT most ions are found to enter the magnetosphere on the dusk side earthward of Geotail with a secondary source on the dawn side in the low latitude boundary layer (LLBL). A small percentage come from the ionosphere. By 1347 UT the majority of the ions come from the dawn side LLBL. The distribution functions measured during the later time interval are much warmer, mainly because particles reaching the spacecraft from the dawnside are affected by nonadiabatic scattering and acceleration in the neutral sheet.

Ashour-Abdalia, M.↗
NASA NTRS1998

Magnetotail Structure and its Internal Particle Dynamics During Northward IMF

This study uses Global magnetohydrodynamic (MHD) simulations driven by solar wind data along with Geotail observations of the magnetotail to investigate the magnetotail's response to changes in the interplanetary magnetic field (IMF); observed events used in the study occurred on March 29, 1993 and February 9, 1995. For events from February 9, 1995, we also use the time-dependent MHD magnetic and electric fields and the large-scale kinetic (LSK) technique to examine changes in the Geotail ion velocity distributions. Our MHD simulation shows that on March 29, 1993, during a long period of steady northward IMF, the tail was strongly squeezed and twisted around the Sun-Earth axis in response to variations in the IMF B(sub y) component. The mixed (magnetotail and magnetosheath) plasma observed by Geotail results from the spacecraft's close proximity to the magnetopause and its frequent crossings of this boundary. In our second example (February 9, 1995) the IMF was also steady and northward, and in addition had a significant B(sub y) component. Again the magnetotail was twisted, but not as strongly as on March 29, 1993. The Geotail spacecraft, located approximately 30 R(sub E) downtail, observed highly structured ion distribution functions. Using the time-dependent LSK technique, we investigate the ion sources and acceleration mechanisms affecting the Geotail distribution functions during this interval. At 1325 UT most ions are found to enter the magnetosphere on the dusk side earthward of Geotail with a secondary source on the dawn side in the low latitude boundary layer (LLBL). A small percentage come from the ionosphere. By 1347 UT the majority of the ions come from the dawn side LLBL. The distribution functions measured during the later time interval are much warmer, mainly because particles reaching the spacecraft from the dawn side are affected by nonadiabatic scattering and acceleration in the neutral sheet.

Ashour-Abdalla, M.↗
NASA NTRS1975

Simulation of hypersonic scramjet exhaust

A plan and some preliminary analysis for the accurate simulation of pressure distributions on the afterbody/nozzle portions of a hypersonic scramjet vehicle are described. The objectives fulfilled were to establish the standards of similitude for a hydrogen/air scramjet exhaust interacting with a vehicle afterbody, determine an experimental technique for validation of the procedures that will be used in conventional wind tunnel facilities, suggest a program of experiments for proof of the concept, and explore any unresolved problems in the proposed simulation procedures. It is shown that true enthalpy, Reynolds number, and nearly exact chemistry can be provided in the exhaust flow for the flight regime from Mach 4 to 10 by a detonation tube simulation. A detailed discussion of the required similarity parameters leads to the conclusion that substitute gases can be used as the simulated exhaust gas in a wind tunnel to achieve the correct interaction forces and moments.

Oman, R. A.↗
DOE OSTI2025

Demography, dynamics and data: building confidence for simulating changes in the world's forests

Vegetation demographic models (VDMs) are advanced tools for simulating forest responses to climate and land-use changes, and are essential for projecting carbon cycling and large-scale forest management strategies. Despite their increasing incorporation into Earth System Models, VDMs differ in their demographic assumptions, with no prior quantitative comparison of their performance. We benchmarked nine VDMs against observational data from boreal, temperate and tropical sites, assessing their accuracy in predicting tree growth, carbon turnover, biomass stocks and size distributions. Models were simulated under consistent climate conditions with postdisturbance recovery monitored for at least 420 yr. Postdisturbance carbon recovery trajectories showed significant variability while remaining within observational ranges. Initial regrowth rates varied substantially (0.03-0.60, 0.18-0.70 and 0.35-1.10 kgCm-2 yr-1 for boreal, temperate and tropical sites, respectively), influenced by each model's initial forest state. Models captured mature forest carbon content but showed compensating effects between overestimated growth and underestimated mortality rates. This first multi-model benchmarking identifies growth and mortality rates as critical calibration targets and highlights the need to refine postdisturbance establishment conditions for model development. We outline specific benchmarking variables needed to improve predictions of forest responses to environmental change.

demographic vegetation model benchmarking↗