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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Three-dimensional model of intracellular and intercellular Ca2+ waves propagation in endothelial cells

Highlights: • Image-based 3D simulation model for intercellular and intracellular Ca{sup 2+} waves. • Metabolic reactions were divided into membrane and cytoplasm domains. • Ca{sup 2+} and IP{sub 3} diffused across the cell and gap junctions. • Ca{sup 2+} waves are propagated from focal stimulated point in numerical simulation. • Ca{sup 2+} wave speed was in agreement with those from cell culture experiments. Intracellular and intercellular Ca{sup 2+} waves play key roles in cellular functions, and focal stimulation triggers Ca{sup 2+} wave propagation from stimulation points to neighboring cells, involving localized metabolism reactions and specific diffusion processes. Among these, inositol 1,4,5-trisphosphate (IP{sub 3}) is produced at membranes and diffuses into the cytoplasm to release Ca{sup 2+} from endoplasmic reticulum (ER). In this study, we developed a three-dimensional (3D) simulation model for intercellular and intracellular Ca{sup 2+} waves in endothelial cells (ECs). 3D model of 2 cells was reconstructed from confocal microscopic images and was connected via gap junctions. Cells have membrane and cytoplasm domains, and metabolic reactions were divided into each domain. Finally, the intracellular and intercellular Ca{sup 2+} wave propagations were induced using microscopic stimulation and were compared between numerical simulations and experiments. The experiments showed that initial sharp increases in intracellular Ca{sup 2+} occurred approximately 0.3 s after application of stimuli. In addition, Ca{sup 2+} wave speeds remained constant in cells, with intracellular and intercellular speeds of approximately 35 and 15 μm/s, respectively. Simulations indicated initial increases in Ca{sup 2+} concentrations at points of stimulation, and these were then propagated across stimulated and neighboring cells. In particular, initial rapid increases in intracellular Ca{sup 2+} were delayed and subsequent intracellular and intercellular Ca{sup 2+} wave speeds were approximately 25 and 12 μm/s, respectively. Simulation results were in agreement with those from cell culture experiments, indicating the utility of our 3D model for investigations of intracellular and intercellular messaging in ECs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

DEEPEN 3D PFA Index Models for Exploration Datasets at Newberry Volcano

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), index models needed to be developed to map values in geoscientific exploration datasets to favorability index values. This GDR submission includes those index models. Index models were created by binning values in exploration datasets into chunks based on their favorability, and then applying a number between 0 and 5 to each chunk, where 0 represents very unfavorable data values and 5 represents very favorable data values. To account for differences in how exploration methods are used to detect each play component, separate index models are produced for each exploration method for each component of each play type. Index models were created using histograms of the distributions of each exploration dataset in combination with literature and input from experts about what combinations of geophysical, geological, and geochemical signatures are considered favorable at Newberry. This is in attempt to create similar sized bins based on the current understanding of how different anomalies map to favorable areas for the different types of geothermal plays (i.e., conventional hydrothermal, superhot EGS, and supercritical). For example, an area of partial melt would likely appear as an area of low density, high conductivity, low vp, and high vp/vs. This means that these target anomalies would be given high (4 or 5) index values for the purpose of imaging the heat source. To account for differences in how exploration methods are used to detect each play component, separate index models are produced for each exploration method for each component of each play type. Index models were produced for the following datasets: - Geologic model - Alteration model - vp/vs - vp - vs - Temperature model - Seismicity (density*magnitude) - Density - Resistivity - Fault distance - Earthquake cutoff depth model

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Learning a general model of single phase flow in complex 3D porous media

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R 2 = 0.9) when tested on extremely diverse real domains at multiple scales.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Learning a General Model of Single Phase Flow in Complex 3D Porous Media

Modeling effective transport properties of 3D porous media, such as permeability, at multiple scales is challenging as a result of the combined complexity of the pore structures and fluid physics—in particular, confinement effects which vary across the nanoscale to the microscale. While numerical simulation is possible, the computational cost is prohibitive for realistic domains, which are large and complex. Although machine learning (ML) models have been proposed to circumvent simulation, none so far has simultaneously accounted for heterogeneous 3D structures, fluid confinement effects, and multiple simulation resolutions. By utilizing numerous computer science techniques to improve the scalability of training, we have for the first time developed a general flow model that accounts for the pore-structure and corresponding physical phenomena at scales from Angstrom to the micrometer. Using synthetic computational domains for training, our ML model exhibits strong performance (R 2 = 0.9) when tested on extremely diverse real domains at multiple scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Three-Dimensional Geologic Characterization of Geothermal Systems: Astor Pass, Nevada, USA

Geothermal systems in the Great Basin, USA, are controlled by a variety of fault intersection and fault interaction areas. Understanding the specific geometry of the structures most conducive to geothermal circulation is crucial in order to both mitigate the costs of geothermal exploration (especially drilling) and to identify blind geothermal systems (no surface expression). Astor Pass, Nevada, one such blind geothermal system, lies near the boundary between two distinct structural domains, the Walker Lane and the Basin and Range, and exhibits characteristics of each setting. Both northwest-striking, left-stepping dextral faults of the Walker Lane and kinematically linked northerly striking normal faults associated with the Basin and Range are present at Astor Pass. Previous studies identified a blind geothermal system controlled by the intersection of northwest-striking dextral and north-northwest-striking normal faults. Wells drilled into the southwestern quadrant of the fault intersection yielded 94°C fluids, with geothermometers suggesting significantly higher maximum temperatures. Additional data, including reprocessed 2D seismic data and petrologic analysis of well cuttings, were integrated with existing and reinterpreted geologic maps and cross-sections to aid construction of a 3D geologic model. This comprehensive 3D integration of multiple data sets allows characterization of the structural setting of the Astor Pass blind geothermal system at a level of detail beyond what independent data interpretation can provide. Our analysis indicates that the blind geothermal system is controlled by two north- to northwest-plunging fault intersections.

15 GEOTHERMAL ENERGY↗
DOE OSTI2015

Verification and Validation of Neutronic/Thermalhydraulic 3D-Time Dependent Model for Treatment of Super-critical States of Light water Research Reactors Accidents

This work presents the Verification and testing both the neutronic and thermal-hydraulics response of the positive reactivity-initiated power excursion accidents in small light water research reactors. Some research reactors have to build its own severe accidents code system. In this sense, a 3D space-time-dependent neutron diffusion models with thermal hydraulic feedback have been introduced, compared and tested both experimentally at criticality 14-cent and theoretically up to 1.5 $ with a number of similar codes. The results shows that no expected core failure or moderator boiling. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

The Effect of Fault Geometry and Minimum Shear Wavespeed on 3D Ground-Motion Simulations for an M w 6.5 Hayward Fault Scenario Earthquake, San Francisco Bay Area, Northern California

We investigated the effects of fault geometry and assumed minimum shear wavespeed (V Smin ) on 3D ground-motion simulations (0–2.5 Hz) in general, using a moment magnitude (M w ) 6.5 earthquake on the Hayward fault (HF). Simulations of large earthquakes on the northeast-dipping HF using the U.S. Geological Survey (USGS) 3D seismic model have shown intensity asymmetry with stronger shaking for the Great Valley Sequence east of the HF (hanging wall) relative to the Franciscan Complex to the west (footwall). We performed simulations with three fault geometries in both plane-layered (1D) and 3D models. Results show that the nonvertical fault geometries result in larger motions on the hanging wall relative to the vertical fault for the same Earth model with up to 50% amplifications in single-component peak ground velocity (PGV) within 10 km of the rupture. Near-fault motions on the footwall are reduced for the nonvertical faults, but less than they are increased on the hanging wall. Simulations assuming V Smin values of 500 and 250 m/s reveal that PGVs are on average 25% higher west of the HF when using the lower V Smin ,with some locations amplified by a factor of 3. Increasing frequency content from 2.5 to 5 Hz increases PGV values. Spectral ratios of these two V Smin cases show average amplifications of 2–4 (0.5–1.5 Hz) for the lower V Smin west of the fault. Large differences (up to 2×) in PGV across the HF from previous studies persist even for the case with a vertical fault or V Smin of 250 m/s. We conclude that assuming a V Smin of 500 m/s underestimates intensities west of the HF for frequencies above 0.5 Hz, and that low upper crustal (depth <10 km) shear wavespeeds defined in the 3D model contribute most to higher intensities east of the HF.

58 GEOSCIENCES↗
DOE OSTI2021

Three-dimensional Core-collapse Supernova Simulations with 160 Isotopic Species Evolved to Shock Breakout

We present three-dimensional simulations of core-collapse supernovae using the FLASH code that follow the progression of the explosion to the stellar surface, starting from neutrino radiation hydrodynamic simulations of the neutrino-driven phase performed with the Chimera code. We consider a 9.6 M ⊙ zero-metallicity progenitor starting from both 2D and 3D Chimera models and a 10 M ⊙ solar-metallicity progenitor starting from a 2D Chimera model, all simulated until shock breakout in 3D while tracking 160 nuclear species. The relative velocity difference between the supernova shock and the metal-rich Rayleigh–Taylor (R-T) "bullets" determines how the metal-rich ejecta evolves as it propagates through the density profile of the progenitor and dictates the final morphology of the explosion. We find maximum 56 Ni velocities of ~1950 and ~1750 km s -1 at shock breakout from 2D and 3D 9.6 M ⊙ Chimera models, respectively, due to the bullets' ability to penetrate the He/H shell. When mapping from 2D, we find that the development of higher-velocity structures is suppressed when the 2D Chimera model and 3D FLASH model meshes are aligned. The development of faster-growing spherical-bubble structures, as opposed to the slower-growing toroidal structure imposed by axisymmetry, allows for interaction of the bullets with the shock and seeds further R-T instabilities at the He/H interface. We see similar effects in the 10 M ⊙ model, which achieves maximum 56 Ni velocities of ~2500 km s -1 at shock breakout.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Natural Fracture Pattern Development Using 3D Coupled Numerical Model: Mechanics and Diagenesis

In the earth's crust, while tectonic processes can mechanically create natural fractures, cementation can simultaneously grow on the surfaces of the fractures. This crystallization can affect the growth of the fractures. To more accurately address the modeling of natural fracture development, both mechanical deformation and chemical diagenesis should be carried out in an integrated manner. Here, we achieve this with a three-dimensional (3D) simulator that couples mechanical and chemical processes for natural fracture pattern development in layer confined situations. Tectonic loading over geologic time is mimicked by displacement driven boundary conditions in a 3D displacement discontinuity method (DDM) scheme. Quartz diagenesis competes with mechanical fracture opening, resulting in three different cementation conditions - open, bridging or fully infilled – which define fracture element stiffness that is used as feedback within the 3D-DDM code during propagation. An important milestone of this work is that this coupled structural diagenetic model can reproduce power-law aperture population statistics which cannot be generated using mechanics alone. More accurately estimated mechanical fracture apertures and their cementation condition is a critical step toward better permeability estimation and fluid path analysis for subsurface reservoirs.

58 GEOSCIENCES↗
DOE OSTI2021

3D orthorhombic earth model effects on seismic source characterization

Most earth materials are anisotropic with regard to seismic wave-speeds, especially materials such as shales, or where oriented fractures are present. However, the base assumption for many numerical simulations is to treat earth materials as isotropic media. This is done for simplicity, the apparent weakness of anisotropy in the far field, and the lack of well-characterized anisotropic material properties for input into numerical simulations. One approach for addressing the higher complexity of actual geologic regions is to model the material as an orthorhombic medium. We have developed an explicit time-domain, finite-difference (FD) algorithm for simulating three-dimensional (3D) elastic wave propagation in a heterogeneous orthorhombic medium. The objective of this research is to investigate the errors and biases that result from modeling a non-isotropic medium as an isotropic medium. This is done by computing “observed data” by using synthetic, anisotropic simulations with the assumption of an orthorhombic, anisotropic earth model. Green’s functions for an assumed isotropic earth model are computed and then used an inversion designed to estimate moment tensors with the “observed” data. One specific area of interest is how shear waves, which are introduced in an anisotropic model even for an isotropic explosion, affect the characterization of seismic sources when isotropic earth assumptions are made. This work is done in support of the modeling component of the Source Physics Experiment (SPE), a series of underground chemical explosions at the Nevada National Security Site (NNSS).

58 GEOSCIENCES↗
DOE OSTI2015

3D WHOLE-PROMINENCE FINE STRUCTURE MODELING

We present the first 3D whole-prominence fine structure model. The model combines a 3D magnetic field configuration of an entire prominence obtained from nonlinear force-free field simulations, with a detailed description of the prominence plasma. The plasma is located in magnetic dips in hydrostatic equilibrium and is distributed along multiple fine structures within the 3D magnetic model. Through the use of a novel radiative transfer visualization technique for the Hα line such plasma-loaded magnetic field model produces synthetic images of the modeled prominence comparable with high-resolution observations. This allows us for the first time to use a single technique to consistently study, in both emission on the limb and absorption against the solar disk, the fine structures of prominences/filaments produced by a magnetic field model.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Skyrme-Hartree-Fock-Bogoliubov mass models on a 3D mesh: III. From atomic nuclei to neutron stars

Here, we present BSkG3, the latest entry in the Brussels-Skyrme-on-a-grid series of large-scale models of nuclear structure based on an energy density functional. Compared to its predecessors, the new model offers a more realistic description of nucleonic matter at the extreme densities relevant to neutron stars. This achievement is made possible by incorporating a constraint on the infinite nuclear matter properties at high densities in the parameter adjustment, ensuring in this way that the predictions of BSkG3 for the nuclear Equation of State are compatible with the observational evidence for heavy pulsars with M > 2M ⊙ . Instead of the usual phenomenological pairing terms, we also employ a more microscopically founded treatment of nucleon pairing, resulting in extrapolations to high densities that are in line with the predictions of advanced many-body methods and are hence more suited to the study of superfluidity in neutron stars. By adopting an extended form of the Skyrme functional, we are able to reconcile the description of matter at high densities and at saturation density: the new model further refines the description of atomic nuclei offered by its predecessors. A qualitative improvement is our inclusion of ground state reflection asymmetry, in addition to the spontaneous breaking of rotational, axial, and time-reversal symmetry. Quantitatively, the model offers lowered root-mean-square deviations on 2457 masses (0.631 MeV), 810 charge radii (0.0237 fm) and an unmatched accuracy with respect to 45 primary fission barriers of actinide nuclei (0.33 MeV). Reconciling the complexity of neutron stars with those of atomic nuclei establishes BSkG3 as a tool of choice for applications to nuclear structure, the nuclear equation of state and nuclear astrophysics in general.

Physics↗
NASA NTRS1993

Explicit 3D continuum fracture modeling with smooth particle hydrodynamics

Impact phenomena shaped our solar system. As usual for most solar system processes, the scales are far different than we can address directly in the laboratory. Impact velocities are often much higher than we can achieve, sizes are often vastly larger, and most impacts take place in an environment where the only gravitational force is the mutual pull of the impactors. The Smooth Particle Hydrodynamics (SPH) technique has been applied in the past to the simulations of giant impacts. In these simulations, the colliding objects were so massive (at least a sizeable fraction of the Earth's mass) that material strength was negligible compared to gravity. This assumption can no longer be made when the bodies are much smaller. To this end, we have developed a 3D SPH code that includes a strength model to which we have added a von Mises yielding relation for stresses beyond the Hugoniot Elastic Limit. At the lower stresses associated with brittle failure, we use a rate-dependent strength based on the nucleation of incipient flaws whose number density is given by a Weibull distribution. Following Grady and Kipp and Melosh et al., we introduce a state variable D ('damage'), 0 less than D less than 1, which expresses the local reduction in strength due to crack growth under tensile loading. Unfortunately for the hydrodynamics, Grady and Kipp's model predicts which fragments are the most probable ones and not the ones that are really formed. This means, for example, that if a given laboratory experiment is modeled, the fragment distribution obtained from the Grady-Kipp theory would be equivalent to a ensemble average over many realizations of the experiment. On the other hand, the hydrodynamics itself is explicit and evolves not an ensemble average but very specific fragments. Hence, there is a clear incompatibility with the deterministic nature of the hydrodynamics equations and the statistical approach of the Grady-Kipp dynamical fracture model. We remedy these shortcomings by making the incipient flaw distribution explicit, i.e., particles carry activation strains which are distributed at random with a probability of occurrence given by the Weibull distribution. If the local principal axis strain exceeds this limit, damage starts to grow. By growing explicit cracks together with statistical cracks (damage) at the sub-particle scale, we ensure that material strength and fragmentation is independent of model resolution. We tested our scheme by simulating laboratory impact experiments on basalt spheres.

Benz, W.↗
NASA NTRS2007

Simulation Studies of Forest Structure using 3D Lidar and Radar Models

The use of lidars and radars to measure forest structure attributes such as height and biomass are being considered for future Earth Observation missions. Large footprint lidar makes a direct measurement of the heights of scatterers in the illuminated footprint and can yield information about the vertical profile of the canopy. Synthetic Aperture Radar (SAR) is known to sense the canopy volume, especially at longer wavelengths and is useful for estimating biomass. Interferometric SAR (InSAR) has been shown to yield forest canopy height information. For example, the height of scattering phase retrieved from InSAR data is considered to be correlated with the three height and the spatial structure of the forest stand. There is much interest in exploiting these technologies separately and together to get important information for carbon cycle and ecosystem science. More detailed information of the electromagnetic radiation interactions within forest canopies is needed. And backscattering models can be of much utility here. As part of a NASA funded project to explore data fusion, a three-dimensional (3D) coherent radar backscattering model and a 3D lidar backscatter models were used to investigate the use of large footprint lidar, SAR and InSAR for characterizing realistic forest scenes. For this paper, we use stem maps and other forest measurements to develop a realistic spatial structure of a spruce-hemlock forest canopy found in Maine, USA. The radar and lidar models used measurements of the 3D forest scene as input and simulated the coherent radar backscattering signature and 1064nm energy backscatter, respectively. The relationships of backscatter derived forest structure were compared with field measurements. In addition, we also had detailed airborne lidar (Laser Imaging Vegetation Sensor, LVIS) data available over the stem map sites that was used to study the accuracies of tree height derived from modeled SAR backscatter and the scattering phase center retrieved from the simulated InSAR data will be compared with the height indices, or other structure parameters derived from the lidar data. These results will address the possible synergies between lidar and radar in data in terms of forest structural information.

Sun, Guoqing↗
DOE OSTI2012

Benchmark of Atucha-2 PHWR RELAP5-3D control rod model by Monte Carlo MCNP5 core calculation

Atucha-2 is a Siemens-designed PHWR reactor under construction in the Republic of Argentina. Its geometrical complexity and peculiarities require the adoption of advanced Monte Carlo codes for performing realistic neutronic simulations. Therefore core models of Atucha-2 PHWR were developed using MCNP5. In this work a methodology was set up to collect the flux in the hexagonal mesh by which the Atucha-2 core is represented. The scope of this activity is to evaluate the effect of obliquely inserted control rod on neutron flux in order to validate the RELAP5-3D{sup C}/NESTLE three dimensional neutron kinetic coupled thermal-hydraulic model, applied by GRNSPG/UNIPI for performing selected transients of Chapter 15 FSAR of Atucha-2. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

3D Reality Energy Modeling Software

The team will combine Bentley Systems’ ContextCapture and extend Oak Ridge National Laboratory’s building energy modeling capabilities in order to create digital twins of buildings that allow simulation-informed improvement for energy efficiency and demand response in the design and operation of the built environment. Bentley Systems’ ContextCapture software processes data from 3D laser scanning and photographs (through photogrammetry) to create a photorealistic, 3D mesh with a scale of individual objects to building to city-sized. This capability easily provides city-level visualization models and platforms where sustainable design alternatives are readily evaluated. Oak Ridge National Laboratory (ORNL) serves the U.S. Dept. of Energy (DOE) as one of three core laboratories developing building energy modeling tools EnergyPlus and OpenStudio. ORNL’s AutoBEM software (bit.ly/AutoBEM) can process imagery (satellite, aerial, and street level), LiDAR, cartographic layers, tax assessor’s data, and other data sources to extract building footprints, height, window-to-wall ratio, building type, vintage, and other building properties. AutoBEM has created 178,368 building energy models that were empirically validated with 15-minute whole-building electrical data from a utility.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Global seamless tidal simulation using a 3D unstructured-grid model (SCHISM v5.10.0)

We present a new 3D unstructured-grid global ocean model to study both tidal and nontidal processes, with a focus on the total water elevation. Unlike existing global ocean models, the new model resolves estuaries and rivers down to ~8 m without the need for grid nesting. The model is validated with both satellite and in situ observations for elevation, temperature, and salinity. Tidal elevation solutions have a mean complex root-mean-square error (RMSE) of 4.2 cm for M2 and 5.4 cm for all five major constituents in the deep ocean. The RMSEs for the other four constituents, S2, N2, K1, and O1, are, respectively, 2.05, 0.93, 2.08, and 1.34 cm). The nontidal residual assessed by a tide gauge dataset (GESLA) has a mean RMSE of 7 cm. For the first time ever, we demonstrate the potential for seamless simulation on a single mesh from the global ocean into several estuaries along the US West Coast. The model is able to accurately capture the total elevation, even at some upstream stations. The model can therefore potentially serve as the backbone of a global tide surge and compound flooding forecasting framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

FLARE: field line analysis and reconstruction for 3D boundary plasma modeling

The FLARE code is a magnetic mesh generator that is integrated within a suite of tools for the analysis of the magnetic geometry in toroidal fusion devices. A magnetic mesh is constructed from field line segments and permits fast reconstruction of field lines in 3D boundary plasma codes such as EMC3-EIRENE. Both intrinsically non-axisymmetric configurations (stellarators) and those with symmetry breaking perturbations of an axisymmetric equilibrium (tokamaks) are supported. The code itself is written in Modern Fortran with MPI support for parallel computing, and it incorporates object-oriented programming for the definition of the magnetic field and the material surface geometry. Extended derived types for a number of different magnetohydrodynamic equilibrium and plasma response models are implemented. The core element of FLARE is a field line tracer with adaptive step-size control, and this is integrated into tools for the construction of Poincaré maps and invariant manifolds of X-points. A collection of high-level procedures that generate output files for visualization is build on top of that. The analysis modules are build with Python frontends that facilitate customization of tasks and/or scripting of parameter scans.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗