SEARCH · Engineering Papers

Results for “3D 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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 127 records · Page 7

All sources NASA NTRS DOE OSTI

DOE OSTI2025

High-Resolution Simulations of Geological CO 2 Injection: Application to the SPE11 Benchmark

Geological carbon sequestration (GCS) will play a critical role in decarbonization and in facilitating the transition to clean energy systems. Because CO 2 is highly mobile, ensuring its safe and permanent injection into subsurface geological formations involves monitoring over larger spatial domains and longer time periods than is typical for hydrocarbon reservoirs. This can benefit from simulation tools capable of modeling key CO 2 trapping mechanisms, particularly those optimized for speed and scalability on high-performance computing systems. Using isothermal versions of the SPE11B and SPE11C benchmark cases, we conduct a mesh refinement study simulating CO 2 injection into kilometer-scale rock formations at centimeter resolution with the GEOS open-source simulation framework. We focus on how mesh refinement improves the accuracy of convective mixing in both 2D and 3D simulations. The computational costs associated with achieving a converged solution highlight the need for predictive upscaling techniques. A systematic performance scaling analysis—including both central processing unit (CPU) and graphics processing unit (GPU) architectures—complements the “Results” section.

Geosciences↗

DOE OSTI2026

Multi-physics Preconditioning for Thermally Activated Batteries

Thermal batteries, also known as molten-salt batteries, are single-use reserve power systems activated by pyrotechnic heat generation, which transitions the solid electrolyte into a molten state. The simulation of these batteries relies on multiphysics modeling to evaluate performance and behavior under various conditions. This paper presents advancements in scalable preconditioning strategies for the Thermally Activated Battery Simulator (TABS) tool, enabling efficient solutions to the coupled electrochemical systems that dominate computational costs in thermal battery simulations. We propose a hierarchical block Gauss-Seidel preconditioner implemented through the Teko package in Trilinos, which effectively addresses the challenges posed by tightly coupled physics, including charge transport, porous flow, and species diffusion. The preconditioner leverages scalable subblock solvers, including smoothed aggregation algebraic multigrid (SA-AMG) methods and domain-decomposition techniques, to achieve robust convergence and parallel scalability. Strong and weak scaling studies demonstrate the solver’s ability to handle problem sizes up to 51.3 million degrees of freedom on 2048 processors, achieving near sub-second setup and solve times for the end-to-end electrochemical solve. These advancements significantly improve the computational efficiency and turnaround time of thermal battery simulations, paving the way for higher-resolution models and enabling the transition from 2D axisymmetric to full 3D simulations.

25 ENERGY STORAGE↗

NASA NTRS2003

Precipitation Processes developed during ARM (1997), TOGA COARE (1992), GATE (1974), SCSMEX (1998), and KWAJEX (1999), Consistent 2D, semi-3D and 3D Cloud Resolving Model Simulations

Tao, Wei-Kuo↗

NASA NTRS1998

EOS Interdisciplinary Investigation: Observational and Modeling Studies of Radiative, Chemical, and Dynamical Interactions in the Earth's Atmosphere

A 3-dimensional model of atmospheric dynamics and photochemistry has been developed from the primitive equations in isentropic coordinates. The model extends from the upper troposphere through the middle atmosphere and is driven by observed dynamical and chemical structure in the troposphere. The model's formulation is entirely spectral: Horizontal structure is represented in terms of vector Hough functions, which explicitly partition the motion into its rotational and divergent components. This formulation enables the model's computational performance to be increased dramatically by filtering high-frequency gravity waves, which do not affect PV conservation. Vertical structure is represented in terms of eigenfunctions that follow from the primitive equations in isentropic coordinates. The model's fully spectral formulation enables scale-selective dissipation, necessary for numerical stability, to be applied at 6th order-in all 3 coordinate directions. This feature leaves all but the shortest vertical scales undamped and, consequently, allows potential vorticity and chemical tracers to be conserved quite accurately, distinctly better than in the model's layered counterpart. These dynamical features are complemented by a basic but fairly complete treatment of gas phase photochemistry, which accounts for some 48 chemical species, diurnally-varying SW absorption by O2 and O3, and LW cooling calculated via a detailed band calculation of radiative transfer. Driven by observed tropospheric structure, the 3D model reproduces observed structure in the middle atmosphere, inclusive of transport by the Brewer-Dobson circulation and accompanying chemical variations. Calculated residual motion is consistent with diabatic cooling rates, poleward transport, and descent in the polar night derived from satellite measurements of chemical tracers made from LIMS, SAGE, and UARS. The model also reproduces the observed structure of chemical species like O3, HNO3, and ClO. At the same time, it provides a respectable 3D simulation of the wintertime increase of midlatitude total ozone, as well as its geographical structure observed by Nimbus-7 TOMS. The 3D model has been used to explore the origin of diabatic upwelling in the tropical lower stratosphere, which has been related to planetary wave absorption in the winter- time stratosphere, as well as to influences from tropospheric convection at the tropical tropopause.

Salby, Murry L.↗

NASA NTRS2011

Reynolds-Averaged Navier-Stokes Simulation of a 2D Circulation Control Wind Tunnel Experiment

Numerical simulations are performed using a Reynolds-averaged Navier-Stokes (RANS) flow solver for a circulation control airfoil. 2D and 3D simulation results are compared to a circulation control wind tunnel test conducted at the NASA Langley Basic Aerodynamics Research Tunnel (BART). The RANS simulations are compared to a low blowing case with a jet momentum coefficient, C(sub u), of 0:047 and a higher blowing case of 0.115. Three dimensional simulations of the model and tunnel walls show wall effects on the lift and airfoil surface pressures. These wall effects include a 4% decrease of the midspan sectional lift for the C(sub u) 0.115 blowing condition. Simulations comparing the performance of the Spalart Allmaras (SA) and Shear Stress Transport (SST) turbulence models are also made, showing the SST model compares best to the experimental data. A Rotational/Curvature Correction (RCC) to the turbulence model is also evaluated demonstrating an improvement in the CFD predictions.

Allan, Brian G.↗

NASA NTRSDate not supplied

Particle Interaction Physics Model Formulation for Plume-Surface Interaction Erosion and Cratering

As part of the Game Changing Development (GCD) Program, funded by NASA’s Space Technology Mission Directorate (STMD), the development of simulation capability for the prediction of extra-terrestrial Plume Surface Interaction (PSI) environments has been undertaken by the Fluid Dynamics Branch at NASA/MSFC. The Predictive Simulation Capability (PSC) Element is focused on creating simulation capability for the reliable and accurate prediction of PSI in Martian (~650 Pa) and Lunar (vacuum) ambient environments. In addition to the predictive simulation capability, the GCD Program also contains a companion Ground Testing Element for development of focused datasets for validation of predictive capability as well as a Flight-focused Instrumentation Element. This paper will present the status of implementing and maturing particle-particle interaction constituent physics models essential in simulating the landing surface granular material flow under PSI effects. This gas-particle multi-phase interaction modeling of plume impingement flow on the extra-terrestrial soil material is performed with the Gas-Granular Flow Solver (GGFS) addressed in a companion paper. The response of regolith particle flow induced by lander PSI requires accurate representation of the regolith granular material fluidic behavior and gas-granular interactions. The lunar regolith, as the extreme example, is poorly sorted with broad particle size distributions and large fines content. It has significant cohesion, due to interlocking particle shapes for the very jagged particles. The combination of particle shape and size distribution has been identified as major drivers in the complex particle flow response and resulting crater shape characteristics of extraterrestrial granular material. Constituent models for spherical particles can be formulated directly from particle kinetics theory. Complex particle shapes can be modeled by gluing together elemental spherical shapes into composite particles, requiring a Discrete Element Model (DEM) particle kinetics modeling approach to extract data and formulate constituent models. Mixture constituent models for poly-disperse mixtures (i.e, containing distribution of particle sizes) have recently been developed. The required non-spherical particle mixture granular material response closure models are then obtained through small-scale unit physics DEM simulations for the range of particle shapes, mixtures and packing densities. The granular material response closure models are then implemented in the Eulerian granular flow formulation. This DEM-based constituent model extraction process and formulation of poly-disperse particle mixtures has been successfully developed by small business and academic partners in the development of the Gas-Granular Flow Solver (GGFS) simulation program simulation framework. The currently implemented capabilities have reached the capability level of modeling bi-disperse, non-spherical particle mixtures is being continuously extended towards computational modeling of full range irregular particle mixtures. Under the GCD project, this technology is being further developed, transferred to NASA analysts, and matured towards application readiness. The predictive simulation capability team under the GCD project has acquired the modeling tools and processes of the DEM based constituent model formulation from the GGFS development team and is developing the capability to replicate the existing process. This is the first important step towards the ability of the NASA team to independently perform such model development in a production setting. Further efforts are underway to migrate the DEM based model simulation process performed with the academic based tools to more capable Open Source, highly parallelized simulation tools for efficient operation on NASA HPC assets. Evaluation of the currently implemented (such as mono-disperse and bi-disperse spherical and irregular shape particle constituent model applications) and continuously evolving full-range particle physics models in the GGFS tool is performed by the NASA team to advance application readiness of the simulations. Application testing for complex PSI erosions and cratering scenarios such as the Apollo LM is performed for axi-symmetric and full 3D simulations to aid the tool developers in achieving practical application readiness for NASA projects. Important validation and application testing will further be performed against experimental data generated under the GCD PSI project experimental component.

Peter A Liever↗

NASA NTRS2000

SNW 2000 Proceedings. Oxide Thickness Variation Induced Threshold Voltage Fluctuations in Decanano MOSFETs: a 3D Density Gradient Simulation Study

We use the density gradient (DG) simulation approach to study, in 3D, the effect of local oxide thickness fluctuations on the threshold voltage of decanano MOSFETs in a statistical manner. A description of the reconstruction procedure for the random 2D surfaces representing the 'atomistic' Si-SiO2 interface variations is presented. The procedure is based on power spectrum synthesis in the Fourier domain and can include either Gaussian or exponential spectra. The simulations show that threshold voltage variations induced by oxide thickness fluctuation become significant when the gate length of the devices become comparable to the correlation length of the fluctuations. The extent of quantum corrections in the simulations with respect to the classical case and the dependence of threshold variations on the oxide thickness are examined.

Asenov, Asen↗

NASA NTRS1993

Solar wind-magnetosphere interaction as simulated by a 3D, EM particle code

The results of simulating the solar wind-magnetosphere interaction with a three dimensional, electromagnetic (EM) particle code are presented. Hitherto such global simulations were done with magnetohydrodynamic (MHD) codes while lower dimensional particle or hybrid codes served to account for microscopic processes and such transport parameters as have to be introduced ad hoc in MHD. The kinetic model combines macroscopic and microscopic tasks. It relies only on the Maxwell curl equations and the Lorentz equation for particles. The preliminary results are for an unmagnetized solar wind plasma streaming past a dipolar magnetic field. The results show the formation of a bow shock and a magnetotail, the penetration of energetic particles into cusp and radiation belt regions, and dawn to dusk asymmetries.

Buneman, O.↗

NASA NTRS2006

Precipitation processes developed during TOGA COARE (1992), GATE (1974), SCSMEX (1998), and KWAJEX (1999): 3D Cloud Resolving Model Simulation

Real clouds and cloud systems are inherently three-dimensional (3D). Because of the limitations in computer resources, however, most cloud-resolving models (CRMs) today are still two-dimensional (2D). A few 3D CRMs have been used to study the response of clouds to large-scale forcing. In these 3D simulations, the model domain was small, and the integration time was 6 hours. Only recently have 3D experiments been performed for multi-day periods for tropical cloud systems with large horizontal domains at the National Center for Atmospheric Research (NCAR), NOAA GFDL, the U.K. Met. Office, Colorado State University and NASA Goddard Space Flight Center. An improved 3D Goddard Cumulus Ensemble (GCE) model was recently used to simulate periods during TOGA COARE (December 19-27, 1992), GATE (september 1-7, 1974), SCSMEX (May 18-26, June 2-11, 1998) and KWAJEX (August 7-13, August 18-21, and August 29-September 12, 1999) using a 512 by 512 km domain and 41 vertical layers. The major objectives of this paper are: (1) to identify the differences and similarities in the simulated precipitation processes and their associated surface and water energy budgets in TOGA COARE, GATE, KWAJEX, and SCSMEX, and (2) to asses the impact of microphysics, radiation budget and surface fluxes on the organization of convection in tropics.

Tao, W.-K.↗

DOE OSTI2024

Phase-field modeling of thermally-grown oxide and damage evolution in environmental barrier coatings

Silicon carbide-based ceramic matrix composites protected by environmental barrier coatings (EBCs) present a promising materials solution for next-generation gas turbines. Developing more robust and efficient EBCs is therefore of significant technological importance. During the service in high-temperature oxidative environments, there is a thermally grown oxide (TGO) layer, spontaneously formed in the EBC system. TGO is recognized as a critical factor for the degradation and failure of EBCs, yet the detailed mechanisms of TGO growth and its effect on EBC failure remain unclear. In this study we develop a comprehensive chemo-mechano-phase-field model to simulate growth of the TGO in EBCs, factoring in creep and deformation, and especially the cracking behaviors. The volume expansion due to TGO growth and the resulting large inelastic deformation are addressed by using our recently developed, so-called incremental realization of inelastic deformation (IRID) algorithm, in combination with an adapted Hu-Chen spectral solver for elasticity. Simulations of TGO growth are performed considering different growth modes of TGOs determined mainly by the ratio of oxidant permeability in the topcoat to that in the TGO itself. Large-scale three-dimensional (3D) simulations are performed to model the formation of interconnecting vertical/channel cracks (often called ‘mud cracks’). The simulated crack morphology are in excellent agreement with the experimental observations from the literature. The simulations also provide insights into the cracking of EBCs and its dependence on the structure and constituent properties of the coating system. Furthermore, these results demonstrate the developed damage model can be a useful tool for design of more durable EBCs.

Cracking↗

DOE OSTI2025

Global Simulations of Gravitational Instability in Protostellar Disks with Full Radiation Transport. II. Locality of Gravitoturbulence, Clumpy Spirals, and Implications for Observable Substructure

Spiral perturbations in a gravitationally unstable accretion disk regulate disk evolution through angular momentum transport and heating and provide an observational signature of gravitational instability (GI). We use global 3D simulations to systematically characterize and understand these spiral perturbations. The spiral perturbations and the resulting transport are overall insensitive to the cooling type, with the exception that radiative cooling, especially in the optically thick regime, reduces the amplitude of temperature perturbations. Spiral perturbations are localized around corotation, allowing transport to be approximated by a local α viscosity to zeroth order in aspect ratio (H/R), but only after averaging over multiple orbits in time and/or multiple scale heights in space. Meanwhile, large-amplitude perturbations from strong gravitoturbulence can cause $\mathcal{O}$(α 1/2 ) deviation in the cooling rate of the disk. We develop empirical prescriptions for the angular momentum transport, heating, and cooling in a gravitoturbulent disk that capture the deviation from a viscous, unperturbed disk to first order in H/R and α 1/2 . The spiral perturbations in saturated gravitoturbulence are clumpy, with dense clumps forming through the nonlinear coupling between multiple modes at different m. Observationally, the clumpy gravitoturbulence produced by saturated GI can be mistaken with observational noise or embedded companions, especially under finite resolution. Meanwhile, grand-design spirals with m-fold symmetry may be uncommon among disks in saturated gravitoturbulence, and we speculate that they may instead be a signature of recently triggered or decaying GI.

Gravitational instability↗

NASA NTRS2008

The Formation of Coronal Loops by Thermal Instability in Three Dimensions

Plasma loops in solar active regions have been observed in EUV and soft X-rays for decades. Their formation mechanism and properties, however, are still not fully understood. Predictions by early models, based on 1D hydrostatic equilibria with uniform plasma heating, are not consistent with high-resolution measurements. In this Letter, we demonstrate, via 3D simulations, that a class of heating models can lead to the dynamic formation of plasma loops provided the plasma is heated sufficiently to match SXT soft X-ray measurements. We show that individual flux tubes in a 3D magnetic structure tend to stand out against their neighbors. The loops have large aspect ratios and nearly uniform cross sections in the corona, similar to those observed by EIT and TRACE. The coronal EUV emission from these thermally unstable solutions is roughly consistent with EIT measurements. The solution oscillates in time through a large-amplitude, nonlinear cycle, leading to repeated brightening and fading of the loops.

Mok, Yung↗

DOE OSTI2025

Global Simulations of Gravitational Instability in Protostellar Disks with Full Radiation Transport. I. Stochastic Fragmentation with Optical-depth-dependent Rate and Universal Fragment Mass

Fragmentation in a gravitationally unstable accretion disk can be an important pathway for forming stellar/planetary companions. To characterize quantitatively the condition for and outcome of fragmentation under realistic thermodynamics, we perform global 3D simulations of gravitationally unstable disks at various cooling rates and cooling types, including the first global simulations of gravitational instability that employ full radiation transport. We find that fragmentation is a stochastic process, with the fragment generation rate per disk area p frag showing an exponential dependence on the parameter β ≡ Ω K t cool , where Ω K is the Keplerian rotation frequency, and t cool is the average cooling timescale. Compared to a prescribed constant β, radiative cooling in the optically thin/thick regime makes p frag decrease slower/faster in β; the critical β corresponding to ∼1 fragment per orbit is ≈3, 5, and 2 for constant β, optically thin, and optically thick cooling, respectively. The distribution function of the initial fragment mass is remarkably insensitive to disk thermodynamics. Regardless of cooling rate and optical depth, the typical initial fragment mass is m frag ≈ 40M tot h 3 , with M tot being the total (star+disk) mass and h = H/R being the disk aspect ratio. Applying this result to typical Class 0/I protostellar disks, we find m frag ∼ 20M J , suggesting that fragmentation more likely forms brown dwarfs. Given the finite width of the m frag distribution, forming massive planets is also possible.

gravitational instability↗

NASA NTRS1991

The evolution of void-filled cosmological structures

1D, 2D, and 3D simulations are used here to investigate the salient features in the evolution of void-filled cosmological structures in universes with arbitrary values of Omega. It is found that the growth of a void as a function of time decreases significantly at the time corresponding to Omega = 0.5. In models constructed in 2D and 3D, suitable initial conditions lead to cellular structure with faceted voids similar to those observed in redshift surveys. Matter compressed to planes flows more rapidly toward condensations at the intersections than would be expected for spherical infall. The peculiar streaming velocities for void diameters of 5000 km/s should be observable. The simulations provide a more physical basis and dynamics for the bubbly and Voronois tesselation models used to derive statistical properties of cellular large-scale structure.

Regos, Eniko↗

DOE OSTI2024

Impact of mechanical tolerances on partial turn skipping in helical flux compression generator

Maintaining tight mechanical tolerances of the components used in helical flux compression generators is crucial for optimizing device performance. Moving beyond current literature, which provides various approximations for acceptable tolerances, a 3D simulation of the armature stator interaction during generator operation was developed, revealing that existing equations frequently misestimate the tolerance limits. Without restricting the generality of the presented approach, the focus was primarily on the armature’s concentricity and roundness, comparing the acceptable tolerance limits between generators of different sizes. An analytical approach for select geometries was developed, confirming the 3D results. Quantitative results reveal that a steeper Gurney angle and increased winding pitch allow for less restrictive tolerances for eccentricity and ellipticity. Even small deviations from the ideal armature positioning and shape will result in fluctuations of the output current time-derivative, observed experimentally and in simulation. Larger deviations then cause partial turn skipping, associated with loss of magnetic flux. The simulation elucidates the impact of tolerance deviations on generator performance by offering precise tolerance ranges for various generator sizes, thereby facilitating informed design decisions.

42 ENGINEERING↗

DOE OSTI2025

Advancing the Frontiers of Deep Learning for Low-Dose 3D Cone-Beam CT Reconstruction

X-ray computed tomography (CT) is an important noninvasive medical imaging modality for studying the structural details of internal organs. Image reconstruction in CT is an inverse problem of recovering an object's internal structure from the absorption profile of X-ray beams (sinogram) measured using a detector. The classical variational approach for CT reconstruction minimizes an energy functional using an appropriate iterative algorithm. Motivated by the success of deep learning (DL), researchers have begun to leverage training data and enhanced computing capabilities in recent years to produce high-fidelity reconstructed images. Nonetheless, much of the academic research in DL algorithms for CT has focused primarily on the two-dimensional setting (with simplified forward operators and noise model) for proofs-of-concept, and a comprehensive benchmarking of various classical and data-driven CT reconstruction approaches has not beenundertaken. The key objective of our CT reconstruction grand challenge was to promote methodological advancements for both classical and DL-based approaches for clinical CT with a reasonably accurately simulated 3D CT forward operator and noise model. We have utilized the publicly available LIDC-IDRI dataset and simulated sinograms and FDK images corresponding to two dose levels (clinical- and low-dose, constituting two tracks of the challenge) starting from the normal-dose images as the ground truth. In this paper, we summarize the motivation, context, and results of our challenge, and highlight the future research directions in DL for clinical CT.

X-ray tomography↗

NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators

Efforts to build a Predictive Material Modeling (PMM) framework from the micro-scale to the macro-scale are presented in this abstract. To reduce the need for extensive testing, accelerate the design cycle process, and reduce uncertainty margins applied to final designs, NASA is developing simulation and modeling tools that enable characterization of material properties and response to high-enthalpy environments. The Porous Microstructure Analysis (PuMA) code has been developed for computing macroscale (volume averaged) properties of porous materials using microscale images from micro-computed tomography (micro-CT). Microscale modeling requires a realistic representation of a material microstructure; these are obtained either synthetically during the design of the material or through X-ray micro-CT. Volume averaged properties are then used to inform macroscale material response models, such as those implemented in the Porous-material Analysis Toolbox based on OpenFOAM (PATO) software, also actively developed by NASA. The computational model in PATO is a generic heat and mass transfer model for porous reactive materials containing several solid phases and a single gas phase. The detailed chemical interactions occurring between the solid phases and the gas phase are modeled at the pore scale assuming local thermal equilibrium. These tools were developed to efficiently interface with other pre-existing codes such as SPARTA (direct simulation Monte Carlo), DPLR (hypersonic CFD), NEQAIR (radiative transport) and DAKOTA (uncertainty quantification and optimization). Detailed flight data (Mars Science Laboratory [MSL] Entry Descent and Landing Instrument [MEDLI]) is critical for validating these computational tools for NASA applications. Examples of modeling ablative material response using these codes will be presented including 3D simulations of the full-scale heatshield of the MSL capsule. The simulations demonstrate the ability of the modern material response code, PATO, to handle the material response of geometrically complex and large domains, through the use of massively parallel computations.

Thermal Protection Systems↗

NASA NTRSDate not supplied

Predictive Modeling of Carbon Ablators Using Micro and Macro-Scale Modeling

Thermal Protection Systems↗