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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Attentional Modulation of Eye Torsion Responses

Eye movements generally have both reflexive and voluntary aspects, but torsional eye movements are usually thought of as a reflexive response to image rotation around the line of sight (torsional OKN) or to head roll (torsional VOR). In this study we asked whether torsional responses could be modulated by attention in a case where two stimuli rotated independently, and whether attention would influence the latency of responses. The display consisted of rear-projected radial "pinwheel" gratings, with an inner annulus segment extending from the center to 22 degrees eccentricity, and an outer annulus segment extending from 22 degrees out to 45 degrees eccentricity. The two segments rotated around the center in independent random walks, stepping randomly 4 degrees clockwise or counterclockwise at 60 Hz. Subjects were asked to attend to one or the other while keeping fixation steady at the center of the display. To encourage attention on one or the other segment of the display, subjects were asked to move a joystick in synchrony with the back and forth rotations of one part of the image while ignoring the other. Eye torsion was recorded with the scleral search coil technique, sampled at 500 Hz. All four subjects showed roughly 50% stronger torsion responses to the attended compared to unattended segments. Latency varied from 100 to 150 msec across subjects and was unchanged by attention. These findings suggest that attention can influence eye movement responses that are not typically under voluntary control.

attention↗
NASA NTRS2018

Performance of the Center-Of-Curvature Optical Assembly During Cryogenic Testing of the James Webb Space Telescope

The James Webb Space Telescope (JWST) primary mirror (PM) is 6.6 meters in diameter and consists of 18 hexagonal segments, each 1.5 meters point-to-point. Each segment has a 6 degree-of-freedom hexapod actuation system and a radius-of-curvature (ROC) actuation system. The full telescope was tested at its cryogenic operating temperature at Johnson Space Center (JSC) in 2017. This testing included center-of-curvature measurements of the PM wavefront error using the Center-of-Curvature Optical Assembly (COCOA), along with the Absolute Distance Meter Assembly (ADMA). The COCOA included an interferometer, a reflective null, an interferometer-null calibration system, coarse and fine alignment systems, and two displacement measuring interferometer systems. A multiple-wavelength interferometer was used to enable alignment and phasing of the PM segments. By combining measurements at two laser wavelengths, synthetic wavelengths up to 15 millimeters could be achieved, allowing mirror segments with millimeter-level piston errors to be phased to the nanometer level. The ADMA was used to measure and set the spacing between the PM and the focus of the COCOA null (i.e., the PM center-of-curvature) for determination of the ROC. This paper describes the COCOA, the PM test setup, the testing performed, the test results, and the performance of the COCOA in aligning & phasing the PM segments and measuring the final PM wavefront error.

JWST↗
NASA NTRS2016

Attentional Modulation of Eye Torsion Responses

Eye movements generally have both reflexive and voluntary aspects, but torsional eye movements are usually thought of as a reflexive response to image rotation around the line of sight (torsional OKN) or to head roll (torsional VOR). In this study we asked whether torsional responses could be modulated by attention in a case where two stimuli rotated independently, and whether attention would influence the latency of responses. The display consisted of rear-projected radial pinwheel gratings, with an inner annulus segment extending from the center to 22 degrees eccentricity, and an outer annulus segment extending from 22 degrees out to 45 degrees eccentricity. The two segments rotated around the center in independent random walks, stepping randomly 4 degrees clockwise or counterclockwise at 60 Hz. Subjects were asked to attend to one or the other while keeping fixation steady at the center of the display. To encourage attention on one or the other segment of the display, subjects were asked to move a joystick in synchrony with the back and forth rotations of one part of the image while ignoring the other. Eye torsion was recorded with the scleral search coil technique, sampled at 500 Hz. All four subjects showed roughly 50 stronger torsion responses to the attended compared to unattended segments. Latency varied from 100 to 150 msec across subjects and was unchanged by attention. These findings suggest that attention can influence eye movement responses that are not typically under voluntary control.

ocular torsion↗
NASA NTRSDate not supplied

NASA's Space Launch System Begins Integration, Stacking in Preparation for Artemis I Launch

The Artemis era of human lunar exploration is nearing take-off as NASA’s new super heavy-lift launch vehicle, the Space Launch System (SLS), begins stack-ing and integration operations in mid-2020 at Kennedy Space Center (KSC) in Florida. With a planned upgrade path to progressively more powerful vehicles and availability in crew and cargo configurations, SLS provides a unique and flexible launch solution to send crew, large-scale infrastructure and robotic probes to deep space. The SLS Block 1 vehicle, the initial variant to fly, is optimized for lunar missions with a proven propulsion system consisting of four liquid hydrogen (LH2)/liquid oxygen (LOX)-fed RS-25 engines and twin five-segment solid rocket boosters (SRBs). The Block 1 vehicle can also be outfitted with an industry-standard 5 m-class payload fairing (the “cargo” configuration) and will launch at least 27 metric tons (t) of mass to trans-lunar injection (TLI). SLS is the backbone of NASA’s Artemis program, which will return the agency’s human spaceflight program to the Moon for the first time since 1972. For the Artemis I mission, SLS will send an uncrewed Orion spacecraft to TLI, where it will enter a distant retrograde lunar orbit and fly 38,000 nmi past the Moon – farther than any spacecraft built for humans has ever traveled. The SLS Block 1 vehicle for Artemis I completed manufacturing in 2019. Several elements, including the upper stage, have been delivered to the Exploration Ground Systems (EGS) program at KSC and are being prepped for integration and stack-ing. The five-segment solid rocket boosters – the largest and most powerful ever built for flight – are also complete. The booster motor segments for the Artemis I flight are scheduled to ship from prime contractor Northrop Grumman’s Utah facilities and begin stacking and integration at KSC in June 2020. The SLS core stage is the largest rocket stage NASA has ever built in terms of volume and height, and includes the avionics and the tanks that feed cryogenic propellant to the four RS-25s (formerly Space Shuttle Main Engines [SSMEs]). They have been modified with an updated controller and nozzle insulation to protect them from the hotter launch environment. The SLS core stage is currently being test-ed at NASA’s Stennis Space Center (SSC) in a series of “green run” tests to verify it meets design and performance requirements. Following the green run test series, which is scheduled to culminate with a full-duration hot-fire of the four RS-25 engines, the core stage will ship to KSC and be stacked between the sol-id rocket boosters in the Vehicle Assembly Building (VAB). Integration of the vehicle will continue with the upper stage, known as the Interim Cryogenic Propulsion Stage (ICPS) and the Launch Vehicle Stage Adapter (LVSA) on the core stage. Another adapter, the Orion Stage Adapter (OSA), connects SLS to Orion and provides housing for 13 6U CubeSat payloads manifested on Artemis I. The CubeSats will be released in deep space after Orion separates from the vehicle, and the flight marks the first ride share opportunity for independent small-sats to deep space. The second major SLS variant to come online, Block 1B, replaces the single-engine ICPS with a four-engine LH2/LOX Exploration Upper Stage (EUS). This more powerful upper stage, along with other vehicle up-grades, will enable the Block 1B vehicle to launch 38-42 t to TLI, depending on crew or cargo configuration. The final evolution of the vehicle, Block 2, will onramp evolved solid rocket boosters to increase mass to TLI to 43-46 t, de-pending on crew or cargo configuration. The Block 1B/Block 2 vehicles can be outfitted with an 8.4 m-diameter payload fairing in 19.1 m or 27.4 m lengths, to provide unprecedented volume for payloads. With the initial Block 1 vehicle completely manufactured and the core stage in final testing before shipping to KSC, the SLS Program and its industry partners have made significant progress manufacturing subsequent vehicles. For the second Block 1 vehicle, the solid rocket motor segments are complete, as are the RS-25 engines with controllers. All five major components of the Artemis II core stage – the forward skirt, LOX and LH2 tanks, intertank and engine section – are manufactured and technicians are installing subsystems at NASA’s rocket factory, Michoud Assembly Facility. The RL-10 engine for the Artemis II ICPS is complete and panels have been machined for its LH2 tank. In addition, panels are machined for the vehicle’s two adapters, with welding scheduled to begin in summer 2020. Flight hard-ware is also in production for the third SLS vehicle, with several booster motor segments cast. The pace of development on the EUS has increased, with the goal to complete Critical Design Review (CDR) in December 2020. Several EUS test rings have been machined at Michoud. The EUS is designed to exe-cute a variety of missions – human spaceflight, deployment of deep-space infra-structure, or high-C3 missions to the outer solar system – with crew and cargo configurations available beginning in the mid-2020s. The near-term goal for the nation’s powerful new space exploration asset, however, is to launch the Arte-mis program, and send the first woman and the next man to the lunar surface. At the Astrodynamics Specialist Conference, the SLS program will update the community on the progress of the initial Block 1 vehicle in final green run test-ing, integration and stacking. In addition, this paper will provide an update to the community on the manufacturing status of subsequent Block 1 and Block 1B vehicles.

Steve Creech↗
NASA NTRSDate not supplied

The Wizard Staff: A Mobile Tool Supporting Human Exploration on The Lunar Surface

The Wizard Staff is a rechargeable, battery powered mobile tool with multiple uses for lunar surface exploration. It supports human activity as a surface survey tool, provides external illumination to enhance safety, delivers networking, communications, and navigation features to remote sites, and assists crew rescue with an emergency beacon and rigid splint structure. As a survey tool, it assists crewed geologic field site exploration with external lights, cameras, and LiDAR to illuminate, map, and record the sample collection process. As a relay station, it provides a surface intranet communications and navigation node for extended exploration far from the lander or habitation module. A separately developed Search-and-Rescue (SAR) handheld device can broadcast a signal to the Gandalf Staff containing crew position and biometric data. The staff then formats the message and sends it orbiting satellite(s) for emergency response via the LunaNET on a dedicated frequency similar to terrestrial applications using an Emergency Position-Indicating Radiobeacon (EPIRB). The staff is designed with an upper and lower segment. Components in the upper segment are the LiDAR, external lighting arrays, cameras, communications equipment, intelligence devices, and user interface for crew operations. The lower segment is a set of FeLiPO4 battery cells packed into the 2” diameter carbon fiber tube. When the battery pack is discharged, a spring connector (designed for the dusty lunar environment) easily disconnects the two segments for replacement with another fully charged battery pack. The lower segment can be used for Incapacitated Crew Rescue (ICR) as a rigid splint. As a stand-alone science platform, the Wizard Staff provides infrastructure for instruments and sensors to record the lunar environment over long periods of time. After a crew installs the components on the lunar surface, the platform delivers data to the lunar lander or base station for analysis. The stand-alone mode requires an auxiliary power source (e.g. solar array) and energy storage system (e.g. battery), so it could also be used as an electrical recharging station. A working prototype of Wizard Staff has been developed with collaboration between NASA (JSC, MSFC, and GSFC), Texas Space Technology Applications and Research (T STAR), and Texas A&M University (TAMU) using $300k of innovation funding in FY’21 and FY’22. The functional staff weights 36# on Earth (6# on the Moon), stands 2.1m tall and delivers external lighting with an array of 40 LED bulbs generating 1460 Lux at 2m range (near field), or 2 Lux at 50m (far field).

Gandalf Staff↗
DOE OSTI2021

System and method for obfuscation of electronic circuits

A computer-implemented method of generating randomized electrical interconnects for an electronic circuit comprises steps of receiving a netlist of nodes of electronic components to be connected, each connection between the nodes forming an electrical interconnect; determining a list of one or more path directions for each electrical interconnect; determining a plurality of path direction distances for each electrical interconnect; generating a plurality of segments for each electrical interconnect, each segment having one path direction and a length which are selected at random; calculating a sum of the lengths of all of the segments in each path direction each time a segment is generated for each electrical interconnect; removing one path direction from the list of path directions when a first condition is met; and stopping the generating a plurality of segments for each electrical interconnect when a second condition is met.

Trujillo, Joshua↗
DOE OSTI2020

Root identification in minirhizotron imagery with multiple instance learning

In this study, multiple instance learning (MIL) algorithms to automatically perform root detection and segmentation in minirhizotron imagery using only image-level labels are proposed. Root and soil characteristics vary from location to location, and thus, supervised machine learning approaches that are trained with local data provide the best ability to identify and segment roots in minirhizotron imagery. However, labeling roots for training data (or otherwise) is an extremely tedious and time-consuming task. This paper aims to address this problem by labeling data at the image level (rather than the individual root or root pixel level) and train algorithms to perform individual root pixel level segmentation using MIL strategies. Three MIL methods (multiple instance adaptive cosine coherence estimator, multiple instance support vector machine, multiple instance learning with randomized trees) were applied to root detection and compared to non-MIL approaches. The results show that MIL methods improve root segmentation in challenging minirhizotron imagery and reduce the labeling burden. In our results, multiple instance support vector machine outperformed other methods. The multiple instance adaptive cosine coherence estimator algorithm was a close second with an added advantage that it learned an interpretable root signature which identified the traits used to distinguish roots from soil and did not require parameter selection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Overcoming small minirhizotron datasets using transfer learning

Minirhizotron technology is widely used to study root growth and development. Yet, standard approaches for tracing roots in minirhiztron imagery is extremely tedious and time consuming. Machine learning approaches can help to automate this task. However, lack of enough annotated training data is a major limitation for the application of machine learning methods. Transfer learning is a useful technique to help with training when available datasets are limited. In this paper, we investigated the effect of pre-trained features from the massives-cale, irrelevant ImageNet dataset and a relatively moderate-scale, but relevant peanut root dataset on switchgrass root imagery segmentation applications. We compiled two minirhizotron image datasets to accomplish this study: one with 17,550 peanut root images and another with 28 switchgrass root images. Both datasets were paired with manually labeled ground truth masks. Deep neural networks based on the U-net architecture were used with different pre-trained features as initialization for automated, precise pixel-wise root segmentation in minirhizotron imagery. We observed that features pre-trained on a closely related but relatively moderate size dataset like our peanut dataset were more effective than features pre-trained on the large but unrelated ImageNet dataset. Here, we achieved high quality segmentation on peanut root dataset with 99.04% accuracy at the pixel-level and overcame errors in human-labeled ground truth masks. By applying transfer learning technique on limited switchgrass dataset with features pre-trained on peanut dataset, we obtained 99% segmentation accuracy in switchgrass imagery using only 21 images for training (fine tuning). Furthermore, the peanut pre-trained features can help the model converge faster and have much more stable performance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

An image-driven machine learning approach to kinetic modeling of a discontinuous precipitation reaction

Micrograph quantification is an essential component of several materials science studies. Machine learning methods, in particular convolutional neural networks, have previously demonstrated performance in image recognition tasks across several disciplines (e.g. materials science, medical imaging, facial recognition). Here, we apply these well-established methods to develop an approach to microstructure quantification for kinetic modeling of a discontinuous precipitation reaction in a case study on the uranium-molybdenum system. Prediction of material processing history based on image data (classification), calculation of area fraction of phases present in the micrographs (segmentation), and kinetic modeling from segmentation results were performed. Results indicate that convolutional neural networks represent microstructure image data well, and segmentation using the k-means clustering algorithm yields results that agree well with manually annotated images. Classification accuracies of original and segmented images are both 94% for a 5-class classification problem. Kinetic modeling results agree well with previously reported data using manual thresholding. The image quantification and kinetic modeling approach developed and presented here aims to reduce researcher bias introduced into the characterization process, and allows for leveraging information in limited image data sets.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A hybrid machine-learning approach for analysis of methane hydrate formation dynamics in porous media with synchrotron CT imaging

Fast multi-phase processes in methane hydrate bearing samples pose a challenge for quantitative micro-computed tomography study and experiment steering due to complex tomographic data analysis involving time-consuming segmentation procedures. This is because of the sample's multi-scale structure, which changes over time, low contrast between solid and fluid materials, and the large amount of data acquired during dynamic processes. Here, a hybrid approach is proposed for the automatic segmentation of tomographic data from time-resolved imaging of methane gas-hydrate formation in sandy granular media, which includes a deep-learning 3D U-Net model. To prepare a training dataset for the 3D U-Net, a technique to automate data labeling based on sample-specific information about the mineral matrix immobility and occasional fluid movement in pores is proposed. Automatic segmentation allowed for studying properties of the hydrate growth in pores, as well as dynamic processes such as incremental flow and redistribution of pore brine. Results of the quantitative analysis showed that for typical gas-hydrate stability parameters (100 bar methane pressure, 7°C temperature) the rate of formation is slow (less than 1% per hour), after which the surface area of contact between brine and gas increases, resulting in faster formation (2.5% per hour). Hydrate growth reaches the saturation point after 11 h of the experiment. Finally, the efficacy of the proposed segmentation scheme in on-the-fly automatic data analysis and experiment steering with zooming to regions of interest is demonstrated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Exploring Classification of Topological Priors With Machine Learning for Feature Extraction

In many scientific endeavors, increasingly abstract representations of data allow for new interpretive methodologies and conceptualization of phenomena. For example, moving from raw imaged pixels to segmented and reconstructed objects allows researchers new insights and means to direct their studies toward relevant areas. Thus, the development of new and improved methods for segmentation remains an active area of research. With advances in machine learning and neural networks, scientists have been focused on employing deep neural networks such as U-Net to obtain pixel-level segmentations, namely, defining associations between pixels and corresponding/referent objects and gathering those objects afterward. Topological analysis, such as the use of the Morse-Smale complex to encode regions of uniform gradient flow behavior, offers an alternative approach: first, create geometric priors, and then apply machine learning to classify. This approach is empirically motivated since phenomena of interest often appear as subsets of topological priors in many applications. Using topological elements not only reduces the learning space but also introduces the ability to use learnable geometries and connectivity to aid the classification of the segmentation target. Here, in this article, we describe an approach to creating learnable topological elements, explore the application of ML techniques to classification tasks in a number of areas, and demonstrate this approach as a viable alternative to pixel-level classification, with similar accuracy, improved execution time, and requiring marginal training data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Computer Vision: EO Imaging & Video Tasks, Metrics, and Datasets [Slides]

Classification is an assignment of an image to a certain category. Localization is identified by the box surrounding the object in the image. Object detection detects instances of semantic objects of a certain class. Semantic segmentation categorizes all the pixels of an image into classes of objects. Instance segmentation identifies each instance of each object in the image. Panoptic (i.e., showing or seeing everything at once) segmentation is a combination of semantic and instance segmentation and classifies all the pixels in the image.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Microcomputed X-Ray Tomographic Imaging and Image Processing for Microstructural Characterization of Explosives

Microstructural characterization of composite high explosives (HEs) has become increasingly important over the last several decades in association with the development of high fidelity mesoscale modeling and an improved understanding of ignition and detonation processes. HE microstructure influences not only typical material properties (e.g., thermal, mechanical) but also reactive behavior (e.g., shock sensitivity, detonation wave shape). A detailed nondestructive 3D examination of the microstructure has generally been limited to custom-engineered samples or surrogates due to poor contrast between the composite constituents. Highly loaded (>90 wt%) HE composites such as plastic-bonded explosives (PBX) are especially difficult. Here, we present efforts to improve measurement quality by using single and dual-energy microcomputed X-ray tomography and state-of-the-art image processing techniques to study a broad set of HE materials. Some materials, such as PBX 9502, exhibit suitable contrast and resolution for an automatic segmentation of the HE from the polymer binder and the voids. Other composite HEs had varying levels of success in segmentation. Post-processing techniques that used commercially available algorithms to improve the segmentation quality of PBX 9501 as well as zero-density defects such as cracks and voids could be easily segmented for all samples. Aspects of the materials that lend themselves well to this type of measurement are discussed.

36 MATERIALS SCIENCE↗
NASA NTRS1993

Operating Characteristics of a 15-cm dia. Ion Engine for Small Planetary Spacecraft

A 15-cm diameter, scaled-down version of the NASA light-weight 30-cm ion engine has been developed for potential application to very small planetary spacecraft. Integration of the 15-cm ion source into 4x15-cm segmented engine configuration results in a 30-cm equivalent engine which can be throttled over a 7-to-1 input power variation with a constant beam current in each of the four segments. Throttling the segmented engine by turning off individual segments can result in a significant decrease in the required service life (and qualification requirements) of the ion source components.

grids segmented ion engine↗
NASA NTRSDate not supplied

The Porous Microstructure Analysis (PuMA) software

The open-source Porous Microstructure Analysis (PuMA) software was created to offer an efficient framework for determining material properties from 3D microstructures. Its development was inspired by progress in X-ray microtomography, an imaging technology that captures the internal structure of materials in 3D, and even in a 4D temporal context. Over recent years, this method has transformed the domain of materials science due to its capability to non-destructively examine material microstructures while presenting digital data about their geometrical details. It has provided insights into materials relevant to several NASA missions, including heatshields, parachute fabrics, meteorites, and other advanced composites. PuMA, in its current version 3, delivers an array of features, spanning from basic geometric insights of a microstructure to intricate anisotropic thermo-elastic and chemical behavior. Specifically, the software evaluates morphological attributes (specific surface area, volume fractions, mean intercept lengths, orientation) and physical characteristics (conductivity, elasticity, permeability, and tortuosity). Additionally, it can model material degradation processes, such as oxidation and surface chemistry interactions. The software can generate synthetic microstructures, from straightforward geometrical designs to intricate woven and non-woven geometries. Coupling material generation and characterization enables parametric studies and sensitivity analysis to optimize the microstructural performance and inform design decisions and reliability assessment based on uncertainty quantification. A recent addition to PuMA includes the TomoSAM plugin, devised to incorporate the cutting-edge Segment Anything Model (SAM) into our image segmentation workflow. SAM is a promptable deep learning model that can identify objects and create image masks in a zero-shot manner, based only on a few user clicks. The synergy between these tools aids in the segmentation of complex 3D datasets from tomography and other imaging techniques, which would otherwise require a laborious manual segmentation process.

Tomography↗
NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

Introduction The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗
NASA NTRSDate not supplied

Recent Developments to the Porous Microstructure Analysis (PuMA) Software

The Porous Microstructure Analysis (PuMA) software is an open source framework for image-based simulation, primarily used to determine effective properties based on material microstructure. PuMA was originally developed for the study of NASA thermal protection materials; however, many of the solvers in PuMA have applicability to a broad range of materials science applications. PuMA version 3.2 computes material surface area, pore diameters, effective thermal conductivity, continuum and rarefied tortuosity, and permeability. For anisotropic materials, PuMA can estimate material orientation and compute anisotropic thermal conductivity and elasticity. In this talk, a brief overview of the PuMA software and underlying methods will be presented, as well as some recent and ongoing developments, including the use of immersed boundary methods for image-based simulation and the development of a new weave segmentation tool, called TomoSAM. Cut-Cell method for heat and mass transfer For simulations on complex microstructures, traditional unstructured meshing techniques often prove to be difficult and time-intensive. Voxel-based solvers, which represent the surface as a staircase structure, are relatively simple to implement but can lose accuracy when feature resolution is poor. In this work, we present a novel 3D cut-cell method for solving the variable coefficient Poisson equation on complex microstructures, suitable for the determination of effective thermal conductivity or tortuosity of a material. The method uses a Marching Cubes/Marching Squares surface reconstruction to create cut-cells and determine geometric quantities. A flux-correction method is extended to 3D, with least squares gradient reconstruction, to solve for the boundary fluxes in the cut-cells. Verification cases show the solver achieves globally 2nd order accuracy on complex microstructures. TomoSAM TomoSAM, a module of the PuMA software, has been developed as a plugin for 3D Slicer, a software platform used for 3D image processing and visualization. It utilizes the Segment Anything Model (SAM), a deep learning model capable of identifying objects and generating image masks based on minimal user input. This feature enables efficient segmentation of complex 3D datasets, particularly of woven materials, from tomography or similar imaging methods, reducing the need for manual segmentation.

Tomography↗
DOE OSTI2023

ReaxFF reactive force field model enables accurate prediction of physiochemical and mechanical properties of crystalline and amorphous shape‐memory polyurethane

Abstract We investigate reactive force field (ReaxFF) prediction of physiochemical and mechanical properties, and stimuli response behavior of a shape‐memory polyurethane (SMPU) rigid segment. We used SMPUs as a platform to link the rigid/hard segment domain crystallinity with properties that can also be experimentally measured. Specifically, we developed models for crystalline and amorphous forms of a common rigid segment of SMPUs, for example, 4,4′‐diphenylmethane diisocyanate (MDI) with n‐butanediol (BDO), denoted as MDI‐BDO. ReaxFF molecular dynamics simulations with equilibrium dynamics are performed by controlling mass, temperature, and pressure or volume to predict the structural and physiochemical properties of crystalline and amorphous rigid segments of SMPU systems, followed by simulating their XRD and FTIR patterns, respectively. Non‐equilibrium ReaxFF simulations are implemented by using uniaxial box deformation technique to study response‐behavior of crystalline SMPU under tensile loading and during stress‐relaxation. The model and simulation scheme presented in this study demonstrates a robust theoretical pathway toward application‐dictated, on‐demand design of high‐performance SMPUs in applications such as soft robotics.

Afroz, Mohammad M.↗