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At least 829 records · Page 46

Multiscale and Multifidelity Modeling of a 3D Woven Composite Thermal Protection System

Complex three-dimensional (3D) woven composites have been considered by multiple NASA projects in recent years as a means of offering improved mechanical and thermal performance over traditional laminated composite systems. Parallel efforts have focused on developing simulation capabilities for these systems, which have traditionally and heavily relied on experimental testing to evaluate composite performance. One system is the Heatshield for Extreme Entry Environment Technology (HEEET), which is being considered for the thermal protection system on reentry spacecraft. Optical microscopy was used to characterize the blended carbon and phenolic fiber tows. A section of HEEET insulation layer was imaged with high-resolution micro-computed tomography (microCT) and segmented to separate individual tows, porous matrix, and voids. These data were used to develop multiscale thermomechanical computational models within the NASA Multiscale Analysis Tool (NASMAT). Two NASMAT modeling approaches were considered to capture the details of the 3D woven architecture: a coarse model appropriate for inclusion in multiscale structural analyses and a high-fidelity model created by downsampling the microCT data. Both elastic and thermal properties were computed and compared. The feasibility and challenges associated with modeling complex, hybrid 3D woven composites were also addressed.

NASMAT↗

Age-aware constitutive materials model for a 3D printed polymeric foam

Abstract Traditional open or closed-cell stochastic elastomeric foams have wide-ranging applications in numerous industries: from thermal insulation, shock absorbing/gap-filling support cushions, packaging, to light-weight structural and positional components. Recent developments in 3D printing technologies by direct ink-write have opened the possibility of replacing stochastic foam parts by more controlled printed micro-structures with superior stress-distribution and longer functional life. For successful deployment as mechanical support or structural components, it is crucial to characterize the response of such printed materials to long-term external loads in terms of stress-strain behavior evolution and in terms of irreversible structural and load-bearing capacity changes over time. To this end, here we report a thermal-age-aware constitutive model for a 3D printed close-packed foam structure under compression. The model is based on the Ogden hyperfoam strain-energy functional within the framework of Tobolsky two-network scheme. It accurately describes experimentally measured stress-strain response, compression set, and load retention for various aging times and temperatures. Through the technique of time-temperature-superposition the model enables the prediction of long-term changes along with the quantification of uncertainty stemming from sample-to-sample variation and measurement noise. All aging parameters appear to possess the same Arrhenius activation barrier, which suggests a single dominant aging mechanism at the molecular/network level.

36 MATERIALS SCIENCE↗

Utilizing 3D Mechanical Earth Models for Calibration and Validation in a Large-Scale Carbon Capture and Storage Project in North Dakota

Conference paper presented at 17th International Conference on Greenhouse Gas Control Technologies (GHGT-17), Calgary, Alberta, Canada, October 20–24, 2024. Three-dimensional (3D) mechanical earth models (MEMs) are pivotal in assessing geological sites for carbon dioxide (CO 2 ) storage and mitigating potential risks associated with storage and injection. The Energy & Environmental Research Center is exploring innovative carbon storage monitoring techniques at a CO 2 storage site near Beulah, North Dakota. These methods aim to provide lower-impact, faster feedback for commercial carbon capture and storage (CCS) projects. The research includes monitoring CO 2 injection using various approaches: 1) an automated, integrated modular monitoring station; 2) time-lapse electromagnetic (EM) field surveys; 3) drone-based surveillance; 4) time-lapse seismic techniques; and 5) advanced wellbore monitoring.

02 PETROLEUM↗

Turbulent Transport in a Three-dimensional Solar Wind

Turbulence in the solar wind can play essential roles in the heating of coronal and solar wind plasma and the acceleration of the solar wind and energetic particles. Turbulence sources are not well understood and thought to be partly enhanced by interaction with the large-scale inhomogeneity of the solar wind and the interplanetary magnetic field and/or transported from the solar corona. To investigate the interaction with background inhomogeneity and the turbulence sources, we have developed a new 3D MHD model that includes the transport and dissipation of turbulence using the theoretical model of Zank et al. We solve for the temporal and spatial evolution of three moments or variables, the energy in the forward and backward fluctuating modes and the residual energy and their three corresponding correlation lengths. The transport model is coupled to our 3D model of the inhomogeneous solar wind. We present results of the coupled solar wind-turbulence model assuming a simple tilted dipole magnetic configuration that mimics solar minimum conditions, together with several comparative intermediate cases. By considering eight possible solar wind and turbulence source configurations, we show that the large-scale solar wind and IMF inhomogeneity and the strength of the turbulence sources significantly affect the distribution of turbulence in the heliosphere within 6 au. We compare the predicted turbulence distribution results from a complete solar minimum model with in situ measurements made by the Helios and Ulysses spacecraft, finding that the synthetic profiles of the turbulence intensities show reasonable agreement with observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Industry Level Feasibility of LiDAR Data into Fire Modeling Using Fire Risk Investigation in 3D (FRI3D)

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial information this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but support groups such as security. LIDAR mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add, or there is no way to extract specific spatial data needed for other tools. This report presents Idaho National Lab's work with Environmental Intellect (Ei) covering two main efforts. First, to reduce the effort of "tagging" data in large 3D models. By using both existing plant database information, and artificial intelligence (AI) to find and read equipment labels. This research explores the ability of to provide a simple way for the user to tag items and verify plant data, capturing both the speed of AI and human verification. The second part of the work is the development of an interface for importing pieces needed for Modeling & Simulation. Analysis work such as that for fire, flood, or physical security all require spatial or 3D models in various levels of detail. This interface will allow for the retrieval of item location or boundaries, enabling the auto generation of models for varying tools. The application program interface (API) of the fire risk investigation in 3D (FRI3D) was used to test feasibility of exporting the LiDAR tagged spatial information. Outcomes from this work provide preliminary data to determine if the tools and methods could provide substantial industry benefit if fully matured.

97 MATHEMATICS AND COMPUTING↗

Simulated KWAJEX Convective Systems Using a 2D and 3D Cloud Resolving Model and Their Comparisons with Radar Observations

The 1999 Kwajalein Atoll field experiment (KWAJEX), one of several major TRMM (Tropical Rainfall Measuring Mission) field experiments, has successfully obtained a wealth of information and observation data on tropical convective systems over the western Central Pacific region. In this paper, clouds and convective systems that developed during three active periods (Aug 7-12, Aug 17-21, and Aug 29-Sep 13) around Kwajalein Atoll site are simulated using both 2D and 3D Goddard Cumulus Ensemble (GCE) models. Based on numerical results, the clouds and cloud systems are generally unorganized and short lived. These features are validated by radar observations that support the model results. Both the 2D and 3D simulated rainfall amounts and their stratiform contribution as well as the heat, water vapor, and moist static energy budgets are examined for the three convective episodes. Rainfall amounts are quantitatively similar between the two simulations, but the stratiform contribution is considerably larger in the 2D simulation. Regardless of dimension, fo all three cases, the large-scale forcing and net condensation are the two major physical processes that account for the evolution of the budgets with surface latent heat flux and net radiation solar and long-wave radiation)being secondary processes. Quantitative budget differences between 2D and 3D as well as between various episodes will be detailed.Morover, simulated radar signatures and Q1/Q2 fields from the three simulations are compared to each other and with radar and sounding observations.

Shie, Chung-Lin↗

A novel 3D heterotypic spheroid model for studying extracellular vesicle-mediated tumour and immune cell communication

Highlights: • A novel model for studying prostate cancer-derived EV mediated effects in human immune cells was developed. • The majority of EVs are not internalised but rather remain bound at the surface of B cells. • Various T cell subsets differ in their ability to interact with cancer-derived EVs. • A fraction of EVs are internalised in CD3{sup +} T cells via macropinocytosis. Cancer-derived extracellular vesicles (EVs) have emerged as important mediators of tumour-host interactions, and they have been shown to exert various functional effects in immune cells. In most of the studies on human immune cells, EVs have been isolated from cancer cell culture medium or patients' body fluids and added to the immune cell cultures. In such a setting, the physiological relevance of the chosen EV concentration is unknown and the EV isolation method and the timing of EV administration may bias the results. In the current study we aimed to develop an experimental cell culture model to study EV-mediated effects in human T and B cells at conditions mimicking the tumour microenvironment. We constructed a human prostate cancer cell line PC3 producing GFP-tagged EVs (PC3-CD63-GFP cells) and developed a 3D heterotypic spheroid model composed of PC3-CD63-GFP cells and human peripheral blood mononuclear cells (PBMCs). The transfer of GFP-tagged EVs from PC3-CD63-GFP cells to the lymphocytes was analysed by flow cytometry and fluorescence imaging. The endocytic pathway was investigated using three endocytosis inhibitors. Our results showed that GFP-tagged EVs interacted with a large fraction of B cells, however, the majority of EVs were not internalised by B cells but rather remained bound at the cell surface. T cell subsets differed in their ability to interact with the EVs - 15.7–24.1% of the total CD3{sup +} T cell population interacted with GFP-tagged EVs, while only 0.3–5.8% of CD8{sup +} T were GFP positive. Furthermore, a fraction of EVs were internalised in CD3{sup +} T cells via macropinocytosis. Taken together, the heterotypic PC3-CD63-GFP and PBMC spheroid model provides the opportunity to study the interactions and functional effects of cancer-derived EVs in human immune cells at conditions mimicking the tumour microenvironment.

60 APPLIED LIFE SCIENCES↗

Development and Validation of a Polarimetric-MCScene 3D Atmospheric Radiation Model

Polarimetric measurements can substantially enhance the ability of both spectrally resolved and single band imagery to detect the proliferation of weapons of mass destruction, providing data for locating and identifying facilities, materials, and processes of undeclared and proliferant nuclear weapons programs worldwide. Unfortunately, models do not exist that efficiently and accurately predict spectral polarized signatures for the materials of interest embedded in complex 3D environments. Having such a model would enable one to test hypotheses and optimize both the enhancement of scene contrast and the signal processing for spectral signature extraction. The Phase I set the groundwork for development of fully validated polarimetric spectral signature and scene simulation models. This has been accomplished 1. by (a) identifying and downloading state-of-the-art surface and atmospheric polarimetric data sources, (b) implementing tools for generating custom polarimetric data, and (c) identifying and requesting US Government funded field measurement data for use in validation; 2. by formulating an approach for upgrading the radiometric spectral signature model MODTRAN to generate polarimetric intensities through (a) ingestion of the polarimetric data, (b) polarimetric vectorization of existing MODTRAN modules, and (c) integration of a newly developed algorithm for computing polarimetric multiple scattering contributions; 3. by generating an initial polarimetric model that demonstrates calculation of polarimetric solar and lunar single scatter intensities arising from the interaction of incoming irradiances with molecules and aerosols; 4. by developing a design and implementation plan to (a) automate polarimetric scene construction and (b) efficiently sample polarimetric scattering and reflection events, for use in a to be developed polarimetric version of the existing first-principles synthetic scene simulation model, MCScene; and 5. by planning a validation field measurement program in collaboration with the Remote Sensing and Exploitation group at Sandia National Laboratories (SNL) in which data from their ongoing polarimetric field and laboratory measurement program will be shared and, to the extent allowed, tailored for model validation in exchange for model predictions under conditions and for geometries outside of their measurement domain.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Integrating AlphaFold and deep learning for atomistic interpretation of cryo-EM maps

Abstract Interpretation of cryo-electron microscopy (cryo-EM) maps requires building and fitting 3D atomic models of biological molecules. AlphaFold-predicted models generate initial 3D coordinates; however, model inaccuracy and conformational heterogeneity often necessitate labor-intensive manual model building and fitting into cryo-EM maps. In this work, we designed a protein model-building workflow, which combines a deep-learning cryo-EM map feature enhancement tool, CryoFEM (Cryo-EM Feature Enhancement Model) and AlphaFold. A benchmark test using 36 cryo-EM maps shows that CryoFEM achieves state-of-the-art performance in optimizing the Fourier Shell Correlations between the maps and the ground truth models. Furthermore, in a subset of 17 datasets where the initial AlphaFold predictions are less accurate, the workflow significantly improves their model accuracy. Our work demonstrates that the integration of modern deep learning image enhancement and AlphaFold may lead to automated model building and fitting for the atomistic interpretation of cryo-EM maps.

59 BASIC BIOLOGICAL SCIENCES↗

Temporal and spatial resolution of magnetosome degradation at the subcellular level in a 3D lung carcinoma model

Magnetic nanoparticles offer many exciting possibilities in biomedicine, from cell imaging to cancer treatment. One of the currently researched nanoparticles are magnetosomes, magnetite nanoparticles of high chemical purity synthesized by magnetotactic bacteria. Despite their therapeutic potential, very little is known about their degradation in human cells, and even less so of their degradation within tumours. In an effort to explore the potential of magnetosomes for cancer treatment, we have explored their degradation process in a 3D human lung carcinoma model at the subcellular level and with nanometre scale resolution. We have used state of the art hard X-ray probes (nano-XANES and nano-XRF), which allow for identification of distinct iron phases in each region of the cell. Our results reveal the progression of magnetite oxidation to maghemite within magnetosomes, and the biosynthesis of magnetite and ferrihydrite by ferritin.

36 MATERIALS SCIENCE↗

Generalized 3D beam dynamics model for industrial traveling wave linacs design and simulations

Beam dynamics simulations in traveling wave (TW) accelerating structures with significant beam loading is a challenging problem. Some codes are capable of calculating the TW electromagnetic fields, and some can track particles through such fields, but most cannot treat both self-consistently. A few commercial codes can model the physics correctly at the expense of many processor-hour computations to obtain converged self-consistent solutions. However, simple, accurate equations of motion for intensive beam dynamics in TW accelerating structure analysis have been previously obtained by Masunov and subsequently implemented in the Hellweg code, which was developed at the Moscow Engineering-Physics Institute. Hellweg is based on equations that allow fast simulations of beam dynamics while taking into account such effects as beam loading, space charge, and external magnetic fields. In this paper, we describe in detail some recent improvements to the Hellweg physics kernel. We have generalized the Masunov results into a 3D set of equations of motion, which include all spatial components of the radiofrequency (RF) and external magnetic fields. We have also improved the Lapostolle space charge model to the general 3D ellipsoid form for any dimensions’ ratio, consideration for the particles outside the beam core, and the fields from the neighboring bunches that can exist in the real machine. These modifications allow approaching the Hellweg accuracy to the self-consistent commercial codes while keeping the simulation time short, which is essential during the linac design and optimization stage. The implementation of these new capabilities in Hellweg is carefully benchmarked against other codes and analytical calculations. The code is freely available with an open source license.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Probabilistic Fatigue Damage Prognosis Using a Surrogate Model Trained Via 3D Finite Element Analysis

Utilizing inverse uncertainty quantification techniques, structural health monitoring can be integrated with damage progression models to form probabilistic predictions of a structure's remaining useful life. However, damage evolution in realistic structures is physically complex. Accurately representing this behavior requires high-fidelity models which are typically computationally prohibitive. In the present work, a high-fidelity finite element model is represented by a surrogate model, reducing computation times. The new approach is used with damage diagnosis data to form a probabilistic prediction of remaining useful life for a test specimen under mixed-mode conditions.

Leser, Patrick E.↗

3D/3D registration of coronary CTA and biplane XA reconstructions for improved image guidance

Purpose: The authors aim to improve image guidance during percutaneous coronary interventions of chronic total occlusions (CTO) by providing information obtained from computed tomography angiography (CTA) to the cardiac interventionist. To this end, the authors investigate a method to register a 3D CTA model to biplane reconstructions. Methods: The authors developed a method for registering preoperative coronary CTA with intraoperative biplane x-ray angiography (XA) images via 3D models of the coronary arteries. The models are extracted from the CTA and biplane XA images, and are temporally aligned based on CTA reconstruction phase and XA ECG signals. Rigid spatial alignment is achieved with a robust probabilistic point set registration approach using Gaussian mixture models (GMMs). This approach is extended by including orientation in the Gaussian mixtures and by weighting bifurcation points. The method is evaluated on retrospectively acquired coronary CTA datasets of 23 CTO patients for which biplane XA images are available. Results: The Gaussian mixture model approach achieved a median registration accuracy of 1.7 mm. The extended GMM approach including orientation was not significantly different (P > 0.1) but did improve robustness with regards to the initialization of the 3D models. Conclusions: The authors demonstrated that the GMM approach can effectively be applied to register CTA to biplane XA images for the purpose of improving image guidance in percutaneous coronary interventions.

60 APPLIED LIFE SCIENCES↗

3D Progressive Damage Modeling for Laminated Composite Based on Crack Band Theory and Continuum Damage Mechanics

A simple continuum damage mechanics (CDM) based 3D progressive damage analysis (PDA) tool for laminated composites was developed and implemented as a user defined material subroutine to link with a commercially available explicit finite element code. This PDA tool uses linear lamina properties from standard tests, predicts damage initiation with an easy-to-implement Hashin-Rotem failure criteria, and in the damage evolution phase, evaluates the degradation of material properties based on the crack band theory and traction-separation cohesive laws. It follows Matzenmiller et al.'s formulation to incorporate the degrading material properties into the damaged stiffness matrix. Since nonlinear shear and matrix stress-strain relations are not implemented, correction factors are used for slowing the reduction of the damaged shear stiffness terms to reflect the effect of these nonlinearities on the laminate strength predictions. This CDM based PDA tool is implemented as a user defined material (VUMAT) to link with the Abaqus/Explicit code. Strength predictions obtained, using this VUMAT, are correlated with test data for a set of notched specimens under tension and compression loads.

Wang, John T.↗

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

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

60 APPLIED LIFE SCIENCES↗

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

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

15 GEOTHERMAL ENERGY↗

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

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

36 MATERIALS SCIENCE↗