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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling low cycle fatigue (LCF) of additively manufactured Hastelloy X using An accelerated crystal plasticity fatigue damage model

This paper presents a microstructure-based model for low cycle fatigue (LCF) behavior and life of Nickel-based alloy Hastelloy X manufactured using laser-powder bed fusion (L-PBF) additive manufacturing (AM). AM Hastelloy X, a solution-strengthened alloy, is tested at elevated temperature under fully reversed LCF conditions at different strain levels. A generalized plane strain finite element model is generated from electron backscatter diffraction (EBSD) characterization. The constitutive behavior of the material under fatigue is modeled using crystal plasticity and calibrated with both monotonic tensile and cyclic stress–strain data. The fatigue micro-crack initiation and propagation in the microstructure is modeled using a modified Chaboche fatigue damage model. An embedded boundary condition with a homogenous medium is used to apply the cyclic deformation and prevent numerically introduced over-constraints during fatigue simulation. A ‘cycle-jump’ method is used to accelerate the fatigue simulation and reduce the computational cost. The simulation results are compared to LCF experiments, showing satisfactory matches in cyclic stress behavior and number of cycles to macro-crack initiation for all applied strain ranges. In addition, the model illustrates the potential for quantifying microscale fatigue life impacting factors such as microstructure and surface roughness, which is needed to accurately quantify the reliability of AM components in service.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Implosion simulations and optimum times of radiographic Images in OMEGA high-density-carbon cylinder experiments

The Los Alamos Ignition Threshold team is planning direct-drive cylinder implosion experiments (CylDRT24B) at the OMEGA laser, scheduled for Thursday 23 May 2024, to investigate the effect of granular microstructure in high density carbon (HDC) shells. Granular microstructure is believed to play a crucial role in seeding perturbations, reducing compression, and enhancing mix in the implosion of HDC shells at the National Ignition Facility (NIF). But the ICF community lacks a detailed understanding of how grains induce these effects, owing partly to the practical difficulty of numerically simulating the behavior of tiny nanometer-scale granular structures in laboratory-scale experiments. Our planned experiments are aimed at acquiring data to help constrain simulations and calibrate reduced models.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Adaptive-Grid Methods for Phase Field Models of Microstructure Development

In this work the authors show how the phase field model can be solved in a computationally efficient manner that opens a new large-scale simulational window on solidification physics. Our method uses a finite element, adaptive-grid formulation, and exploits the fact that the phase and temperature fields vary significantly only near the interface. We illustrate how our method allows efficient simulation of phase-field models in very large systems, and verify the predictions of solvability theory at intermediate undercooling. We then present new results at low undercoolings that suggest that solvability theory may not give the correct tip speed in that regime. We model solidification using the phase-field model used by Karma and Rappel.

Provatas, Nikolas↗
DOE OSTI2026

Model Parameter Development for Complex Materials: Species-Specific Diffusion Barriers in 316 Stainless Steel from Systematic DFT Calculations

Vacancy-mediated diffusion barriers in 316 stainless steel have been systematically calculated using density functional theory to provide essential parameters for mesoscale microstructure evolution models. A statistical sampling approach employing 210 nudged elastic band calculations across multiple special quasi-random structures captures the effects of local chemical environments in this concentrated alloy. The computational methodology addresses challenges specific to chemically disordered systems, including proper magnetic treatment throughout multi-step calculations and validation against experimental structural properties. The calculated activation barriers reveal clear species-dependent diffusion behavior with the hierarchy Ni >> Fe ˜ Cr >> Mo. Nickel exhibits the highest barriers (0.74–1.31 eV, mean 1.045 eV), confirming its role as the slowest-diffusing major component. Iron and chromium show similar moderate barriers averaging 0.587 eV and 0.522 eV, respectively. Remarkably, molybdenum demonstrates exceptionally low barriers (0.12–0.28 eV, mean 0.194 eV), suggesting much higher mobility than previously recognized and potentially significant implications for precipitation kinetics and microstructure evolution. The barrier ranges remain consistent across different 316 SS compositions, supporting parameter transferability for modeling applications. The overall mean barrier of 0.64 eV provides a practical approximation for phase field simulations, while species-specific values enable detailed treatments of diffusion-controlled processes. This systematic approach establishes a validated framework for generating diffusion parameters in other concentrated alloys where experimental data are limited, while providing the first systematic set of species-specific barriers for predictive modeling of 316 stainless steel microstructure evolution.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Pulsed-Laser Irradiation Space Weathering Of A Carbonaceous Chondrite

Grains on the surfaces of airless bodies experience irradiation from solar energetic particles and melting, vaporization and recondensation processes associated with micrometeorite impacts. Collectively, these processes are known as space weathering and they affect the spectral properties, composition, and microstructure of material on the surfaces of airless bodies, e.g. Recent efforts have focused on space weathering of carbonaceous materials which will be critical for interpreting results from the OSIRIS-REx and Hayabusa2 missions targeting primitive, organic-rich asteroids. In addition to returned sample analyses, space weathering processes are quantified through laboratory experiments. For example, the short-duration thermal pulse from hypervelocity micrometeorite impacts have been simulated using pulsed-laser irradiation of target material e.g. Recent work however, has shown that pulsed-laser irradiation has variable effects on the spectral properties and microstructure of carbonaceous chondrite samples. Here we investigate the spectral characteristics of pulsed-laser irradiated CM2 carbonaceous chondrite, Murchison, including the vaporized component. We also report the chemical and structural characteristics of specific mineral phases within the meteorite as a result of pulsed-laser irradiation.

Thompson, M. S.↗
NASA NTRS2006

High-Performance Scanning Acousto-Ultrasonic System

A high-performance scanning acousto-ultrasonic system, now undergoing development, is designed to afford enhanced capabilities for imaging microstructural features, including flaws, inside plate specimens of materials. The system is expected to be especially helpful in analyzing defects that contribute to failures in polymer- and ceramic-matrix composite materials, which are difficult to characterize by conventional scanning ultrasonic techniques and other conventional nondestructive testing techniques. Selected aspects of the acousto-ultrasonic method have been described in several NASA Tech Briefs articles in recent years. Summarizing briefly: The acousto-ultrasonic method involves the use of an apparatus like the one depicted in the figure (or an apparatus of similar functionality). Pulses are excited at one location on a surface of a plate specimen by use of a broadband transmitting ultrasonic transducer. The stress waves associated with these pulses propagate along the specimen to a receiving transducer at a different location on the same surface. Along the way, the stress waves interact with the microstructure and flaws present between the transducers. The received signal is analyzed to evaluate the microstructure and flaws. The specific variant of the acousto-ultrasonic method implemented in the present developmental system goes beyond the basic principle described above to include the following major additional features: Computer-controlled motorized translation stages are used to automatically position the transducers at specified locations. Scanning is performed in the sense that the measurement, data-acquisition, and data-analysis processes are repeated at different specified transducer locations in an array that spans the specimen surface (or a specified portion of the surface). A pneumatic actuator with a load cell is used to apply a controlled contact force. In analyzing the measurement data for each pair of transducer locations in the scan, the total (multimode) acousto-ultrasonic response of the specimen is utilized. The analysis is performed by custom software that extracts parameters of signals in the time and frequency domains. The computer hardware and software provide both real-time and postscan processing and display options. For example, oscilloscope displays of waveforms and power spectral densities are available in real time. Images can be computed while scanning continues. Signals can be digitally preprocessed and/or post-processed by filtering, windowing, time-segmenting, and running-waveform-averaging algorithms. In addition, the software affords options for off-line simulation of the waveform-data-acquisition and scanning processes. In tests, the system has been shown to be capable of characterizing microstructural changes and defects in SiC/SiC and C/SiC ceramic-matrix composites. Delaminations, variations in density, microstructural changes attributable to infiltration by silicon, and crack-space indications (defined in the next sentence) have been revealed in images formed from several time- and frequency-domain parameters of scanning acousto-ultrasonic signals. The crack-space indications were image features that were not revealed by other nondestructive testing methods and are so named because they turned out to mark locations where cracking eventually occurred.

Roth, Don↗
DOE OSTI2025

Time-Dependent 600 °C Post-Weld Heat Treatment Response of Laser-Wire-Directed Energy Deposited Austenitic Stainless Steel Claddings on Carbon Steel

Austenitic stainless steel overlay claddings are often used to protect nuclear reactor pressure vessels from corrosion. Arc welding processes are traditionally employed, which require a high heat input to bond the dissimilar metals, creating a large heat-affected zone and high residual stress that demands a lengthy stress-relieving post-weld heat treatment, up to 48 hours. High energy beam (e.g., laser, electron beam) directed energy deposition-based overlay cladding processes show promise for fabricating claddings with superior performance compared to arc welded ones because of their localized heat input; however, their necessity and time of post-weld heat treatment are currently unclear. In this research, we investigate the time dependence of a 600 C stress-relieving post-weld heat treatment of austenitic stainless steel clad on low carbon steel by laser-wire-directed energy deposition, comparing the microstructure and mechanical properties of the as-fabricated condition to 2-, 10-, and 48-hour heat treatment times. Diffusion simulations and microscopy show a gradual carburization of the stainless steel cladding and decarburization of the heat-affected zone/base metal. Nanoindentation testing shows up to a 1.8–2.69 embrittlement in the cladding and a 0.33 to 0.69 softening in the heat-affected zone after the 48-hour post-weld heat treatment. Tensile testing of the cladding composites reveals that increasing post-weld heat treatment time raises clad cracking susceptibility due to intergranular carbide formation and shows that laser-wire-directed energy deposition claddings may not require post-weld heat treatment.

Coating↗
DOE OSTI2025

Modeling Framework to Predict Melting Dynamics at Microstructural Defects in TNT-HMX High Explosive Composites

Many high explosive (HE) formulations are composite materials whose microstructure is understood to impact functional characteristics. Interfaces are known to mediate the formation of hot spots that control their safety and initiation. Here, to study such processes at molecular scales, we developed all-atom force fields (FFs) for Octol, a prototypical HE formulation comprised of TNT (2,4,6-trinitrotoluene) and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). We extended a FF for TNT and recasted it in a form that can be readily combined with a well-established FF for HMX. The resulting FF was extensively validated against experimental results and density functional theory calculations. We applied the new combined TNT-HMX FF to predict and rank surface and interface energies, which indicate that there is an energetic driver for coarsening of microstructural grains in TNT-HMX composites. Finally, we assess the impact of several microstructural environments on the dynamic melting of TNT crystal under ultrafast thermal loading. We find that both free surfaces and planar material interfaces are effective nucleation points for TNT melting. However, MD simulations show that TNT crystal is prone to superheating by at least 50 K on subnanosecond time scales and that the degree of superheating is inversely correlated with surface and interface energy. The modeling framework presented here will enable future studies on hot spot formation processes in accident scenarios that are governed by strong coupling between microstructural interfaces, material mechanics, momentum and energy transport, phase transitions, and chemistry.

36 MATERIALS SCIENCE↗
NASA NTRS2023

Thermomechanical Property Prediction of Amorphous and Crystal PEKK via Molecular Dynamics

Traditionally, advanced aerospace composites have been manufactured using thermoset resins. However, recently, thermoplastics have been investigated for use in the manufacturing of composite materials due to their unique manufacturing characteristics. Thermoplastic resins can be reshaped and formed, along with the added benefit of being recyclable, which thermoset resin cannot. Thermoplastic materials undergo a crystallization process during manufacturing which affects the percent crystallinity of the material. The crystallization needs to be understood better to maximize the potential of thermoplastic resins. PEKK is a thermoplastic material with good chemical, thermal, and mechanical loading resistance. PEKK is also a material NASA is interested in for developing new bonded joint technology. The crystalline microstructure of PEKK is at the micrometer length scale, and it is of interest to model the effects of the crystallinity structure on PEKK’s bulk properties. Molecular dynamics (MD) is a simulation tool that allows for property-structure relationships between atomistic structure and nanometer-length portions of a material. This makes MD a useful tool for developing the structure-property relationship of PEKK. However, the micrometer length scale of PEKK’s crystal structure is too large for MD. Thus, a hybrid approach to modeling PEKK’s microstructure is proposed in this work where MD models are built of both the amorphous and crystalline phases of PEKK. The engineering material properties can be obtained using MD at the nanometer length scale. A micromechanics approach can then generate the micrometer length scale of the crystallinity and the effective properties can be homogenized. The objective of this paper is to show the MD model workflow and the MD-predicted properties of PEKK. The properties can then be homogenized with different crystalline percentages to build design graphs that can be used to tailor PEKK for specific composite applications.

poly ether ketone ketone↗
NASA NTRS2003

Versatile Turbine Disk Alloy Designed and Processed for Higher Temperature Applications

Advanced turbine engine configurations using higher temperature combustor and airfoil concepts require compressor and turbine disks that can withstand temperatures higher than the 650 C typical of current engines. This requires disk alloy and processing improvements. A versatile disk alloy was needed that could be given either fine grain heat treatments for high strength and fatigue and creep resistance up to 704 C or given coarse grain heat treatments for high strength and creep and dwell crack-growth resistance at higher temperatures. This alloy could produce disks with uniform microstructures and properties, as well as with varied, optimized microstructures at disk bore and rim sections. A series of experimental disk alloys were designed and processed to give subscale disks about 13 cm in diameter and 4 cm thick. These alloys had varying levels of key elements to affect mechanical properties and change the "solvus" solution heat-treatment temperature necessary to produce coarse grain microstructures. Disks were given coarse grain heat treatments followed by rapid oil quenching and slower fan air quenching. These heat treatments were intended to simulate the cooling paths of rapidly cooled full-scale disks at the outermost rim and interior bore locations, respectively. Preliminary quench tests of tensile specimens and coin-size minidisks had indicated that alloys having high solvus temperatures were more prone to cracking during rapid quenching from coarse grain heat treatments. These findings were confirmed in the subscale disks, where such alloys did form undesirable quench cracks. Mechanical tests were performed on specimens from subscale disks given these coarse grain heat treatments, as well as on specimens given a fine grain heat treatment. Tensile, creep, and crack growth tests were performed at 704 C and higher temperatures. A versatile alloy was identified that had a low solvus temperature for resistance to quench cracking as well as an optimal combination of high levels of strengthening refractory elements that produced balanced high mechanical properties for both fine grain and coarse grain microstructures. This low-solvus, high-refractory (LSHR) alloy has been scaled-up to produce prototype full-scale turbine disks typical of regional jet turbofan engines. Disks were successfully heat treated to give uniform coarse grain and uniform fine grain microstructures. Additional disks were given a NASA dual microstructure heat treatment (DMHT) that intentionally varied the solution heat-treatment temperatures between the disk rim and bore (re f. 1). The disk rim was heated to a high enough temperature to produce a coarse grain microstructure, while the bore was maintained at a lower temperature to produce a fine grain microstructure (see the figure). This DMHT can produce optimal high strength, fatigue, and creep resistance up to 704 C in the cooler running disk bore, and high strength, creep resistance, and dwell crack growth resistance at higher temperatures for the hotter disk rim. Extensive mechanical testing is being initiated to compare the mechanical properties of the uniform and DMHT disks.

Gabb, TImothy P.↗
NASA NTRS2018

Multi-Scale Modeling of Low-Density Carbon-Phenolic Ablators

Protecting a spacecraft during atmospheric entry is one of highest risk factors that needs to be mitigated during design of a space exploration mission. At entry speeds from space, air turns into high-temperature plasma, and spacecraft Thermal Protection Systems (TPS) are needed to protect the vehicle payload. Modern successful material architectures of spacecraft shields use a porous carbon fiber substrate impregnated with phenolic as an ablator material. In the lecture, efforts to build a Predictive Material Modeling framework for porous ablators from micro-scale to macro-scale will be presented. Several numerical methods and techniques will be summarized that use voxelized images to compute geometrical properties of the porous substrate. These computed properties include porosity, specific surface area and tortuosity that are otherwise indirectly measured through experimental techniques. Direct simulation Monte Carlo (DSMC), a particle-based method for approximating the Boltzmann equation, is used to compute the permeability coefficient of the porous substrate based on its digitized representation. The method computes the flow within the microstructure, where the size of the pores may approach the mean-free-path of the flow. Finally, a high-fidelity model implemented in PATO (Porous-material Analysis Toolbox) is discussed, and some examples of ablative material response are presented, including for the first time 3D simulations of the full tiled heat shield for the Mars Science Laboratory (MSL) capsule.

Ablators↗
NASA NTRSDate not supplied

An Integrated Recursive Framework for Arbitrarily Multiscale and Multi-fidelity Modeling

The NASA Multiscale Analysis Tool (NAMSAT) serves as a state-of-the-art, “plug and play,” massively multiscale modeling (M3) platform for hierarchical materials and structures. The development of NASMAT has focused on modularity, upgradability and maintainability, interoperability, and utility. Application Program Interfaces (APIs) have been developed to facilitate the integration NASMAT into other programs (commercial, research, and user-defined) as well as the integration of other codes into NASMAT. NASMAT is an integrated, recursive platform that seamlessly allows for an arbitrary number of scales, and a variety of modeling fidelity, in a single, non-linear analysis. Thus, the macroscopic response of a material can be directly linked to the behavior of the microstructure(s), including subscale defects, making it a suitable tool for integrated computational materials engineering (ICME) because . Examples using NASMAT for simulation of polycrystalline metals at elevated temperatures will be presented.

Multiscale Modeling↗
DOE OSTI2025

An atomistic study connecting underlying dislocation behavior with superior mechanical properties of NiCoCr medium entropy alloy

NiCoCr-based medium-entropy alloy (MEA) with a simple face-centered cubic crystal phase exhibits excellent mechanical properties, often attributed to the synergy of multiple deformation mechanisms. However, the atomistic origin of their outstanding mechanical response, including microstructural evolution and dislocation behavior under varying strain-rates and orientation, remains unclear. In this work, we employ large-scale molecular dynamics (MD) simulations to investigate the changes in deformation mechanisms along three distinct orientations ([110], [111], [100]) under varying strain rates (1 ×10 8 /sec, 1 ×10 10 /sec, 1 ×10 12 /sec) in the NiCoCr MEA. The presence of the stair-rod and the Shockley partial dislocations under uniaxial tensile strain are found to play a key role in the formation of deformation twinning and ε-martensite, which positively correlates with strain-rate dependent dislocation analysis. These findings further establish the role of the dislocations in controlling the superior mechanical response and excellent fracture toughness of the NiCoCr MEA. Systematic transmission-electron microscopy tests performed on the [111]-oriented crystals, deformed at different strain levels, at room temperature provide clear evidence of both the extended stacking-fault and the stair rods, confirming the predicted microstructural features. Finally, this study offers key insights into the complex nucleation mechanisms of deformation twinning and ε-martensite, such as twinning – and transformation–induced plasticity (TWIP-TRIP), providing valuable guidelines for studying similar material classes.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Investigation of Lunar-Inspired Geopolymer Concrete Formulations Mixed and Cured in Microgravity on the International Space Station (ISS)

The research outlined in this presentation investigates the use of various lunar regolith simulants in geopolymer lunar concrete mixes mixed and cured on the International Space Station (ISS). The motivation for this work is to study the effects of gravity on the microstructure of alkali-activated materials cured with heat, and to develop materials for the construction of long-term infrastructure on the lunar surface with in-situ resource utilization (ISRU). ISRU for construction materials reduces the cost and mass of payloads related to lunar construction. The advantage of geopolymer concrete as opposed to traditional portland cement concrete is that water acts as a medium for the polymerization reaction and leaves the system throughout the process, reducing its demand. Twelve samples of lunar regolith simulant and a solution composed of sodium hydroxide and sodium silicate were sent to the ISS. The three simulants were OPRH2N, OPRL2N, and JSC-1AF, using only particles less than 53 µm in diameter to increase reactivity of the simulant. Simulant to solution ratios were determined by workability while mixing. The simulant and solution were sealed Burst Pouches® along with 2 other sealed bags to prevent material from leaking. Crew member F-14 conducted testing on the ISS by introducing the solution to the simulant in the Burst Pouch®, mixing the sample with a spatula, and then clamping the specimen in the fresh state to prevent flow inside the Burst Pouch®. These specimens were then put in a thermos heated to 80C via sealed drinking water bags to cure for 24 hours with a temperature logger. The cured specimens remained in microgravity for at least 28 days and were returned from the ISS in February 2025. The specimens were then brought to the NASA Marshall Space Flight Center (MSFC) to analyze. Material characterization consisted of conducting Micro-CT tests of entire samples in their sealed apparatus to a resolution of 25µm. 2D image slices were saved in each orthogonal direction of each specimen at a 0.03 mm step size from the 3D model to conduct analytical porosity calculations. Representative samples from each specimen were sampled to perform helium gas pycnometery and were then mounted in resin for SEM imaging, EDS, and nanoindentation. Porosity was analyzed analytically using micromechanics modelling with the assistance of the NASA Multiscale Analysis Tool (NASMAT), as well as the NASA Advanced Supercomputing (NAS) servers (V. Saseendran & N. Yamamoto, 2024). Density was measured using helium gas pycnometery and was then compared to the theoretical density for experimental porosity calculation. Due to the samples’ non-uniform shape being cured in a pouch, traditional compression and tensile strength testing could not be performed. Nanoindentation was conducted at Clarkson University to determine the microhardness and reduced modulus of elasticity. Results from flight samples can be compared to ground samples currently in DLR’s possession to determine the effect on microstructure from being mixed and cured in microgravity. This study gives further insight and understanding of geopolymer lunar concrete and its viability as a lunar construction material with ISRU.

Adam Johnson↗
DOE OSTI2025

A sensing material-free and simple readout MEMS sensor for detecting Helium

Abstract In this work, we report a method that enables a standard electrostatic MEMS device to perform complex sensing functionalities, such as detecting the presence of helium without a sensing material or a conditioning circuit. Helium is a noble, odorless, non-reactive gas that is very challenging to detect. It is used in critical applications such as storing nuclear fuel waste inside a dry cask. In these applications, its leakage from the dry cask may indicate the cask's safe operation's degradation. A departure from the common practice of exciting the MEMS around its mechanical resonance, the method is based on exciting the MEMS around its electrical resonance circuit. This method shows that the tiny difference between the air dielectric constant (1.00059) and helium (1.000067) corresponding to only a few Femtofarad level capacitances produces a 25 mV difference without a conditioning circuit. Simulation results confirmed those findings and explored the sensor response at different operation conditions. This method eliminates the need for a heated microstructure and the need for absorption material. This method is not limited to gas sensing. It can be applied to other sensing mechanisms, such as acceleration and pressure measurements, and eliminate the complex circuit to read small capacitance in these applications.

Mohaidat, Sulaiman↗
DOE OSTI2025

Metallurgical Analysis and Forward Modeling of Weld Distortion in SMR Containment Vessels

This work aimed to apply Sandia’s expertise in metallurgy and modeling to enable the use of hybrid laser arc welding for building nuclear reactor containment structures, via a collaboration with Holtec International. Experimental observations were coupled with finite element analysis to resolve microstructure development, mechanical properties, distortion, and residual stress in welds relevant to the production of the Holtec SMR-160. High residual stresses were observed in welds that were not subjected to preheat. Meanwhile, the microstructure of the welds generally exhibited a narrow heat affected zone relative to conventional arc welds. FEA appeared to be effective in simulating the thermal/mechanical conditions that occur during hybrid laser arc welding of simplified and instrumented test welds. Subsequently, FEA was used to perform sensitivity analyses for various weld geometries that would be prohibitively costly to assess with physical experiments. Insights from the study were used to inform Holtec’s welding process, and successful production welds were performed in 2025.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1984

Modeling material failure with a vectorized routine

The computational aspects of modelling material failure in structural wood members are presented with particular reference to vector processing aspects. Wood members are considered to be highly orthotropic, inhomogeneous, and discontinuous due to the complex microstructure of wood material and the presence of natural growth characteristics such as knots, cracks and cross grain in wood members. The simulation of strength behavior of wood members is accomplished through the use of a special purpose finite element/fracture mechanics routine, program STARW (Strength Analysis Routine for Wood). Program STARW employs quadratic finite elements combined with singular crack tip elements in a finite element mesh. Vector processing techniques are employed in mesh generation, stiffness matrix formation, simultaneous equation solution, and material failure calculations. The paper addresses these techniques along with the time and effort requirements needed to convert existing finite element code to a vectorized version. Comparisons in execution time between vectorized and nonvectorized routines are provided.

Cramer, S. M.↗
NASA NTRS2018

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is a suite of tools for the analysis of porous materials and generation of material microstructures. From microstructural data, often obtained through X-ray microtomography, PuMA can determine a number of effective material properties and perform material response simulations. Version 2.2 includes capabilities for computing volume fractions, porosity, specific surface area, effective thermal and electrical conductivities, and continuum and rarefied diffusive tortuosity. PuMA can also simulate competitive diffusion/reaction processes at the micro-scale, such as surface oxidation. In this poster, recent advancements to the PuMA software are detailed, including the full refactoring of PuMA into v3.0, a new module to compute heat conduction in anisotropic materials, a particle method for simulating molecular beam experiments, a new finite-volume Laplace solver, complex fibrous material generation, woven material generation, and a coupling of PuMA with the DAKOTA software for advanced statistics.

PuMA↗