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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.10)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ($Re$ < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

42 ENGINEERING↗
DOE OSTI2020

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.4.56)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

About a method for compressing X-ray computed microtomography data

The management of scientific data is of high importance especially for experimental techniques that produce big data volumes. Such a technique is x-ray computed tomography (CT) and its community has introduced advanced data formats which allow for better management of experimental data. Rather than the organization of the data and the associated meta-data, the main topic on this work is data compression and its applicability to experimental data collected from a synchrotron-based CT beamline at the Elettra-Sincrotrone Trieste facility (Italy) and studies images acquired from various types of samples. This study covers parallel beam geometry, but it could be easily extended to a cone-beam one. The reconstruction workflow used is the one currently in operation at the beamline. Contrary to standard image compression studies, this manuscript proposes a systematic framework and workflow for the critical examination of different compression techniques and does so by applying it to experimental data. Beyond the methodology framework, this study presents and examines the use of JPEG-XR in combination with HDF5 and TIFF formats providing insights and strategies on data compression and image quality issues that can be used and implemented at other synchrotron facilities and laboratory systems. In conclusion, projection data compression using JPEG-XR appears as a promising, efficient method to reduce data file size and thus to facilitate data handling and image reconstruction

data compression↗
DOE OSTI2021

Validation of numerical models for seismic fluid-structure-interaction analysis of nuclear, safety-related equipment

Seismic design, qualification, and risk assessment of nuclear safety-related vessels filled with liquid will have to consider the interaction between the vessel (tank), the contained liquid, and submerged components, if any. Seismic fluid-structure-interaction (FSI) analysis of nuclear vessels will rely on numerical models, which are required to be verified and validated. This study validates previously-verified numerical models using test data generated from earthquake-simulator experiments involving a cylindrical tank. Two solvers in LS-DYNA for FSI simulations are used for the numerical analysis: Arbitrary-Lagrangian-Eulerian (ALE) and Incompressible Computational Fluid Dynamics (ICFD). Numerical and test results are compared for responses critical to seismic design of advanced reactor vessels: hydrodynamic pressures on the tank wall, reactions at the support, and wave heights of the contained liquid. Analysis is performed for one-, two-, and three-directional seismic inputs with a range of intensity, and rocking motions. The accuracy of the numerical results and different methods for outputting wave heights are discussed. Recommendations for validation of seismic FSI numerical models of advanced reactors are provided. As a result, the validation exercise presented in this study is broadly applicable to cylindrical tanks, regardless of industry sector.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
NASA NTRS2018

Modeling Issues in Asteroid-Generated Tsunamis

This report studies tsunamis caused by asteroids, both those that arise from atmospheric blast waves moving across the water surface from airburst asteroids, and those that arise when the asteroid reaches the water and forms a crater. We perform numerical experiments that compare simulations using depth-averaged models (shallow water and several forms of Boussinesq) with linearized Euler (acoustics plus gravity) and ALE hydrocode simulations. We find that neither of the depth-averaged models do a good job of initiating the tsunami, but in some cases can be used to propagate a solution generated by a higher-fidelity method. A list of our conclusions and recommendations for further study is given in Section 5.

Berger, Marsha J.↗
DOE OSTI2024

Amine-Assisted Ligand-Exchange Method to Enhance Photovoltaic Parameters in FAPbI3 Nanocrystal Solar Cells

Perovskite colloidal nanocrystals (PeNCs) have exceptional optoelectronic properties and phase stability, making them promising for photovoltaic applications. However, insulating ligands on PeNC surfaces limit the current density and reduce the power conversion efficiency (PCE) in PeNC solar cells (SCs). This study introduces an amine-assisted ligand-exchange (ALE) strategy using 3-phenyl-1-propylamine (3P1P) to effectively remove long ligands from PeNC films. ALE reduced long-chain ligand density without increasing the number of defect states and therefore reduced the exciton-binding energy of FAPbI3 NC films. These changes facilitated exciton dissociation and charge transport in FAPbI3 PeNC SCs. The facilitation of exciton dissociation was due to the increased magnetic dipole interaction between excitons after the ALE process. The use of ALE achieved FAPbI3 PeNC SCs that had an improved short-circuit current density of 17.98 mA/cm2 and a PCE of 15.56% with improved stability after the treatment and negligible hysteresis. This work provides new insight into engineering PeNC films.

amines↗
DOE OSTI2026

Plasma-assisted atomic layer etching of single-crystal diamond

Applications of near-surface nitrogen-vacancy (NV) centers in diamond are often limited by surface defects created during processing. Understanding and controlling plasma-induced surface damage is important for preserving the optical and spin properties of diamond NV centers. We report molecular dynamics simulations of a novel form of plasma-aided atomic layer etching of diamond. In this proposed scheme, the initial surface modification step consists of Ar + ion bombardment. This creates an amorphous layer at the surface, the thickness of which is controlled by the ion energy. Amorphization is known to help smooth the surface, at least locally, and would also serve to sputter clean an initially contaminated surface. A second step impacts the amorphous carbon layer with O + between about 1 and 5 eV. Simulations show that this energy range will remove the amorphous carbon but will not etch the underlying diamond. Though this energy range is not trivial to achieve in a conventional low-temperature plasma, potential methods for creating these low-energy O + ions are discussed. In addition to a-C etching, the O + impacts are predicted to remove any isolated (100) diamond terraces by selectively attacking the edges of the terraces. The proposed atomic layer etching (ALE) approach reverses the conventional ALE sequence in which the surface modification step is usually chemical modification (oxidation in this case), followed by a removal step using Ar + impacts. This plasma ALE procedure is predicted to create a diamond surface that is atomically flat and defect free.

Draney, J. S. [Princeton University, NJ (United St↗
NASA NTRS1997

High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

Applications are described of high-performance computing methods to the numerical simulation of complete jet engines. The methodology focuses on the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field elements. New partitioned analysis procedures to treat this coupled three-component problem were developed. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. The NASA-sponsored ENG10 program was used for the global steady state analysis of the whole engine. This program uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor for parallel versions of ENG10 was developed as well as the capability for the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames.

Felippa, C. A.↗
DOE OSTI2016

Some New Verification Test Problems for Multimaterial Diffusion on Meshes that are Non-Aligned with Material Boundaries

In this report a number of new verification test problems for multimaterial diffusion will be shown. Using them we will show that homogenization of multimaterial cells in either Arbitrary Lagrangian Eulerian (ALE) or Eulerian simulations can lead to errors in the energy flow at the interfaces. Results will be presented that show that significant improvements and predictive capability can be gained by using either a surrogate supermesh, such as Thin Mesh in FLAG, or the emerging method based on Static Condensation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

6d $ \mathcal{N}=\left(1,0\right) $ theories on T 2 and class S theories. Part I

We show that the N=(1,0) superconformal theory on a single M 5 brane on the ALE space of type G = A n , D n , E n , when compactified on T 2 , becomes a class S theory of type G on a sphere with two full punctures and a simple puncture. We study this relation from various viewpoints. Along the way, we develop a new method to study the 4d SCFT arising from the T 2 compactification of a class of 6d N=(1,0) theories we call very Higgsable.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Benchmarking numerical methods for impact and cratering applications

Large scale computational models are important for studying impact cratering events that are prevalent both on Earth and, more broadly, in this solar system. To address these problems, models must reliably account for both large length scales (e.g., kilometers) and relatively long time scales (hundreds of seconds). This work benchmarks two such approaches, a more traditional hydrodynamics approach and a finite-discrete element method (FDEM), for impact cratering applications. Both 2D and 3D results are discussed for two different impact velocities, 5 km/s and 20 km/s, striking normal to the target and, for 3D simulations, 45° from vertical. In addition, comparisons to previously published data are presented. Finally, differences in how these methods model damage are discussed. Ultimately, both approaches show successful modeling of several different impact scenarios.

58 GEOSCIENCES↗
DOE OSTI2019

Modeling Concept and Numerical Simulation of Ultrasonic Wave Propagation in a Moving Fluid-Structure Domain based on a Monolithic Approach

Here in the present study, we propose a novel multiphysics model that merges two time-dependent problems – the Fluid-Structure Interaction (FSI) and the ultrasonic wave propagation in a fluid-structure domain with a one directional coupling from the FSI problem to the ultrasonic wave propagation problem. This model is referred to as the “eXtended fluid-structure interaction (eXFSI)” problem. This model comprises isothermal, incompressible Navier-Stokes equations with nonlinear elastodynamics using the Saint-Venant Kirchhoff solid model. The ultrasonic wave propagation problem comprises monolithically coupled acoustic and elastic wave equations. To ensure that the fluid and structure domains are conforming, we use the ALE technique. The solution principle for the coupled problem is to first solve the FSI problem and then to solve the wave propagation problem. Accordingly, the boundary conditions for the wave propagation problem are automatically adopted from the FSI problem at each time step. The overall problem is highly nonlinear, which is tackled via a Newton-like method. The model is verified using several alternative domain configurations. To ensure the credibility of the modeling approach, the numerical solution is contrasted against experimental data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Verification of an energy-conserving semi-implicit electrostatic particle-in-cell scheme for modeling high-density plasma at scale

A verification study of a semi-implicit energy-conserving electrostatic particle-in-cell algorithm is presented. The algorithm relaxes the time-step and mesh-size constraints that require resolution of the plasma period and Debye length associated with traditional explicit momentum-conserving particle-in-cell algorithms. Physical implications and applicability of using the semi-implicit scheme for modeling high-density plasmas are discussed. Where possible, numerical results are compared against analytical solutions. The simulation results indicate that the algorithm is stable at time steps larger than twice the inverse plasma frequency and cell sizes larger than the Debye length. It is found that the algorithm gives adequate results, provided that the distribution function and the spatiotemporal scales dictating the physics of the problem are resolved. As such, the algorithm may provide a robust method for kinetic modeling of high-density plasmas at scale.

Cyclotron resonance↗
DOE OSTI2019

Modeling and simulation of Ultrasonic Guided Waves propagation in the fluid-structure domain by a monolithic approach

The present study introduces the coupled multiphysics model as part of the structural health monitoring (SHM) system. In particular, the Ultrasonic Guided Waves (UGWs) propagation is tracked in order to identify the damage to the structure. For this purpose, a multiphysics mathematical model is proposed. The model constitutes a monolithically coupled system of acoustic and elastic wave equations (WpFSI problem) where the wave signal displacement measurements are analyzed as the UGWs propagates in the solid, fluid and their interface. The ultimate goal of this paper is to explore and develop the efficient numerical solution of the WpFSI problem using the finite element method. A detailed description of the modeling framework and conditions that facilitate the coupling is provided. To couple the displacement-based acoustic wave equations for the isothermal fluid with elastic wave equations for the Saint Venant-Kirchhoff material model, the present study uses a monolithic solution algorithm. In particular, at each time step, wave equations are transformed to a fixed reference configuration via the arbitrary Lagrangian-Eulerian (ALE) mapping and automatically adopt the boundary conditions from the previous time step. The implementation is accomplished via the finite element library deal.II (Goll et al., 2017) based software toolbox DOpElib (Bangerth et al., 2007) which provides modularized higher level algorithms. Beyond SHM systems, the model is relevant for problems from biomechanics and biomedicine, vibromechanics, poroelasticity as well as subsurface and porous media flow. Here, the model developed here serves as a first step towards the on-line SHM system modeling, where structural dynamics are accounted for.

42 ENGINEERING↗
DOE OSTI2015

SU-E-J-111: Finite Element-Based Deformable Image Registration of Pleural Cavity for Photodynamic Therapy

Purpose: The pleural volumes will deform during surgery portion of the pleural photodynamic therapy (PDT) of lung cancer when the pleural cavity is opened. This impact the delivered dose when using highly conformal treatment techniques. In this study, a finite element-based (FEM) deformable image registration is used to quantify the anatomical variation between the contours for the pleural cavities obtained in the operating room and those determined from pre-surgery computed tomography (CT) scans. Methods: An infrared camera-based navigation system (NDI) is used during PDT to track the anatomical changes and contour the lung and chest cavity. A series of CTs of the lungs, in the same patient, are also acquired before the surgery. The structure contour of lung and the CTs are processed and contoured in Matlab and MeshLab. Then, the contours are imported into COMSOL Multiphysics 5.0, where the FEM-based deformable image registration is obtained using the deformed mesh - moving mesh (ALE) model. The NDI acquired lung contour is considered as the reference contour, and the CT contour is used as the target one, which will be deformed. Results: The reconstructed three-dimensional contours from both NDI and CT can be converted to COMSOL so that a three-dimensional ALE model can be developed. The contours can be registered using COMSOL ALE moving mesh model, which takes into account the deformation along x, y and z-axes. The deformed contour has good matches to the reference contour after the dynamic matching process. The resulting 3D deformation map can be used to obtain the locations of other critical anatomic structures, e.g., heart, during surgery. Conclusion: Deformable image registration can fuse images acquired by different modalities. It provides insights into the development of phenomenon and variation in normal anatomical structures over time. The initial assessments of three-dimensional registration show good agreement.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Intestinal and peritoneal mast cells differ in kinetics of quantal release

5-hydroxytriptamine (5-HT, serotonin) storage and release in mast cell (MC) secretory granules (SG) are dependent on serglycin proteoglycans (PG). This notion is based on the studies of MC of the connective tissue subtype that predominantly contain PG of the heparin type, whereas intestinal mucosal MC, which contain predominantly chondroitin sulfate, have been poorly explored. In the present study, we addressed the possibility that PG contents may differently affect the storage and release of preformed mediators in these two MC subclasses and explain in part their different functional properties. Rat peritoneal (PMC) and intestinal mast cells (IMC) were isolated and purified using a percoll gradient, and the efflux of 5-HT from each SG was measured by amperometric detection. IMC exhibited a ∼34% reduction in the release of 5-HT compared with PMC because of a lower number of exocytotic events, rather than a lower secretion per single exocytotic event. Amperometric spikes from IMC exhibited a slower decay phase and increased half-width but a similar ascending phase and foot parameters, indicating that the fusion pore kinetics are comparable in both MC subclasses. We conclude that both PG subtypes are equally efficient systems, directly involved in serotonin accumulation, and play a crucial role in regulating the kinetics of exocytosis from SG, providing specific secretory properties for the two cellular subtypes. - Highlights: • We improved a method for isolating and purifying IMC. • There was a reduction in total serotonin release in IMC with respect to PMC. • This decrease was not due to less secretion per quantum but a lower number of exocytotic events. • There was also a deceleration of exocytosis in IMC with respect to PMC.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1996

High-Performance Parallel Analysis of Coupled Problems for Aircraft Propulsion

This research program dealt with the application of high-performance computing methods to the numerical simulation of complete jet engines. The program was initiated in January 1993 by applying two-dimensional parallel aeroelastic codes to the interior gas flow problem of a bypass jet engine. The fluid mesh generation, domain decomposition and solution capabilities were successfully tested. Attention was then focused on methodology for the partitioned analysis of the interaction of the gas flow with a flexible structure and with the fluid mesh motion driven by these structural displacements. The latter is treated by a ALE technique that models the fluid mesh motion as that of a fictitious mechanical network laid along the edges of near-field fluid elements. New partitioned analysis procedures to treat this coupled three-component problem were developed during 1994 and 1995. These procedures involved delayed corrections and subcycling, and have been successfully tested on several massively parallel computers, including the iPSC-860, Paragon XP/S and the IBM SP2. For the global steady-state axisymmetric analysis of a complete engine we have decided to use the NASA-sponsored ENG10 program, which uses a regular FV-multiblock-grid discretization in conjunction with circumferential averaging to include effects of blade forces, loss, combustor heat addition, blockage, bleeds and convective mixing. A load-balancing preprocessor tor parallel versions of ENG10 was developed. During 1995 and 1996 we developed the capability tor the first full 3D aeroelastic simulation of a multirow engine stage. This capability was tested on the IBM SP2 parallel supercomputer at NASA Ames. Benchmark results were presented at the 1196 Computational Aeroscience meeting.

Felippa, C. A.↗