3D full wave fast wave modeling with realistic HHFW antenna geometry and SOL plasma in NSTX-U
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3D RF modeling↗
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Results for “3D Modeling”
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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Residual Stresses Induced due to Curing of the Bulk Matrix in a Simplified Three-Dimensional (3D) Woven Repeating Unit Cell
It has been observed that 3D woven materials are highly susceptible to processes induced defects including tow misalignment, intratow and intertow cracking and/or voids. Adequate process modeling of 3D woven Polymer Matrix Composites (PMCs) is necessary to predict and estimate the effects of the manufacturing process on these defects. A preliminary step towards this is achieved with the commercial Finite Element Analysis (FEA) tool Abaqus complemented with written user subroutines to account for the effect of shrinkage and thermoelastic properties evolution as a function of the degree of cure of the bulk matrix phase in a 3D woven composite repeating unit cell (RUC). As a pathfinder, the process modeling framework is demonstrated on a simplified 3D woven RUC of an AS4/RIMR 135 system. Curing simulations are performed on the 3D woven RUC to observe the processing induced residual stresses. The results of the analysis show that high stress concentrations, present within the 3D intertow matrix bordering the binder tow, coincide with X-Ray computed tomography (X-Ray-CT) scan data depicting cracking in the same location
3D Woven↗
Modeling and simulation of vascular tumors embedded in evolving capillary networks
Here in this work, we present a coupled 3D–1D model of solid tumor growth within a dynamically changing vascular network to facilitate realistic simulations of angiogenesis. Additionally, the model includes erosion of the extracellular matrix, interstitial flow, and coupled flow in blood vessels and tissue. We employ continuum mixture theory with stochastic Cahn–Hilliard type phase-field models of tumor growth. The interstitial flow is governed by a mesoscale version of Darcy’s law. The flow in the blood vessels is controlled by Poiseuille flow, and Starling’s law is applied to model the mass transfer in and out of blood vessels. The evolution of the network of blood vessels is orchestrated by the concentration of the tumor angiogenesis factors (TAFs); blood vessels grow towards the increasing TAFs concentrations. This process is not deterministic, allowing random growth of blood vessels and, therefore, due to the coupling of nutrients in tissue and vessels, makes the growth of tumors stochastic. We demonstrate the performance of the model by applying it to a variety of scenarios. Numerical experiments illustrate the flexibility of the model and its ability to generate satellite tumors. Simulations of the effects of angiogenesis on tumor growth are presented as well as sample-independent features of cancer.
3D–1D coupled blood flow models↗
Enhancing Lithium-Ion Battery Aging Simulations: Coupling a High-Resolution, 3D, Grain-Scale Electromechanical Model to a Single-Particle Model
One of the main goals in modeling lithium-ion batteries is to improve/predict longevity and resilience of new chemistries. Unfortunately, this requires simulation of thousands of charge/discharge cycles, which can be rather time consuming depending on the fidelity of the simulation. The purpose of this talk is to discuss a new modeling framework that couples a high-resolution, continuous damage model (CDM) to a single particle model (SPM) resulting in a good combination of speed and fidelity. In previous work, a 3D, continuum-level chemo-mechanical model was developed to investigate cracking within a single cathode particle comprised of hundreds to thousands of randomly oriented grains. The CDM predicted that particle fracture is primarily due to non-ideal grain interactions with slight dependence on high-rate charge demands. Essentially, when neighboring grains were misaligned, they expanded different rates relative to one another leading to high stresses and ultimately the formation of intraparticle cracks. The model predicted that small particles with large grains develop significantly less damage than larger particles with small grains. Finally, the model predicted most of the chemo-mechanical damage accumulates in the first charge after formation. This chemo-mechanical "damage saturation" effect indicated that initial particle fracture occurs within the first few cycles, while long-term cathode degradation is not solely chemo-mechanically induced. This led to a need for simulating fatigue-like mechanism that degrade the battery over longer time scales. In order to reach the time scales, need to resolve fatigue-like degradation, the CDM needs to be complemented by a faster model. Therefore, recent efforts have been focused on using results from the CDM to inform parameters within the SPM. These parameters are homogenization factors that are associated with diffusion, particle radius, and/or exchange current density. By coupling the CDM to the SPM, the aging simulation is broken up into two domains: short-term and long-term degradation. The short-term degradation occurs over a single cycle and is handled by the CDM due of its high fidelity, but relatively expensive computational cost. Such mechanism include break-in crack caused by mismatches in grain orientation. The long-term degradation occurs over tens of cycles and is handled by the SPM due it's computational efficiency. Most of the fatigue-like mechanism fall into this category. The eventual goal of this modeling framework is to upscale to a psudo-2D model allowing for full electrode simulation, which are informed by high-fidelity grain-scale simulations.
electrochemistry↗
Modelling of micromachining of human tooth enamel by erbium laser radiation
We consider a 3D cellular model of human tooth enamel and a photomechanical cellular model of enamel ablation by erbium laser radiation, taking into account the structural peculiarities of enamel, energy distribution in the laser beam cross section and attenuation of laser energy in biological tissue. The surface area of the texture in enamel is calculated after its micromachining by erbium laser radiation. The influence of the surface area on the bond strength of enamel with dental filling materials is discussed. A good correlation between the computer simulation of the total work of adhesion and experimentally measured bond strength between the dental filling material and the tooth enamel after its micromachining by means of YAG : Er laser radiation is attained. (laser biophotonics)
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Projecting GeoVisipedia Annotations onto Satellite Imagey with the PRISM Algorithm
GeoVisipedia is a new and novel approach to sharing knowledge about complex geospatial configurations such as facilities. GeoVisipieda annotates objects in facilities with wiki pages. Annotations are projected to and from facility imagery using the PRISM algorithm. This report describes how the PRISM algorithm uses image metadata and a 3D facility model to perform annotation projection. The report concludes with an illustration of the efficacy of the PRISM algorithm in projecting an annotation onto a stack, and a demonstration of the effects of modeling error.
3D geospatial models↗
Development of models for predicting Torsade de Pointes cardiac arrhythmias using perceptron neural networks
Background: Blockage of some ion channels and in particular, the hERG (human Ether-a’-go-go-Related Gene) cardiac potassium channel delays cardiac repolarization and can induce arrhythmia. In some cases it leads to a potentially life-threatening arrhythmia known as Torsade de Pointes (TdP). Therefore recognizing drugs with TdP risk is essential. Candidate drugs that are determined not to cause cardiac ion channel blockage are more likely to pass successfully through clinical phases II and III trials (and preclinical work) and not be withdrawn even later from the marketplace due to cardiotoxic effects. The objective of the present study is to develop an SAR (Structure-Activity Relationship) model that can be used as an early screen for torsadogenic (causing TdP arrhythmias) potential in drug candidates. The method is performed using descriptors comprised of atomic NMR chemical shifts (13C and 15N NMR) and corresponding interatomic distances which are combined into a 3D abstract space matrix. The method is called 3D-SDAR (3-dimensional spectral data-activity relationship) and can be interrogated to identify molecular features responsible for the activity, which can in turn yield simplified hERG toxicophores. A dataset of 55 hERG potassium channel inhibitors collected from Kramer et al. consisting of 32 drugs with TdP risk and 23 with no TdP risk was used for training the 3D-SDAR model. Results: An artificial neural network (ANN) with multilayer perceptron was used to define collinearities among the independent 3D-SDAR features. A composite model from 200 random iterations with 25% of the molecules in each case yielded the following figures of merit: training, 99.2%; internal test sets, 66.7%; external (blind validation) test set, 68. 4%. In the external test set, 70.3% of positive TdP drugs were correctly predicted. Moreover, toxicophores were generated from TdP drugs. Conclusion: A 3D-SDAR was successfully used to build a predictive model for drug-induced torsadogenic and non-torsadogenic drugs based on 55 compounds. The model was tested in 38 external drugs.
59 BASIC BIOLOGICAL SCIENCES↗
A parametric finite element study for determining burst strength of thin and thick-walled pressure vessels
To accurately predict the burst strength of both thin and thick-walled pressure vessels (PVs), a parametric study of PV burst strength was performed for a wide range of vessel geometries and materials using elastic-plastic finite element analysis (FEA). A valid FEA model was established through a detailed study of 2D versus 3D FEA models, the critical stress failure criterion versus the limit load criteria, and the thick-wall effect on the FEA simulations. Here, the results show that the stresses and strains at the mean diameter, rather than outside diameter, determines a more accurate burst strength for both thin and thick-walled PVs. On this basis, a parametrized FEA script using the ABAQUS Python application programming interface (API) was used to create a large database of PV burst strengths for a variety of vessel geometries and materials, demonstrating that Python scripting is a powerful technique for performing parametric studies or generating large databases. From the FEA results, using the regression method, a new burst pressure model was developed as a function of the vessel geometry (D/t ratio) and material properties (UTS and n). As validated by a large number of full-scale burst test data, the proposed burst model can very accurately predict the burst strength for both thin and thick-walled PVs.
42 ENGINEERING↗
Utah FORGE: Data for 3-D Model Development - Lithology, Temperature, Pressure, and Stress
This submission comprises two downloadable .zip archives. Each archive contains spreadsheets with 3-D data and a .txt document describing the data. The Mesh Files .zip download contains data regarding the lithologic contacts of the granitoid and overlying sedimentary basin fill. The Initial Conditions .zip download contains data regarding temperature, pressure, and stress. These data were generated during Utah FORGE Phase 2 and exported from Seequent Leapfrog Geothermal. They are intended for use in 3-D earth modeling.
15 GEOTHERMAL ENERGY↗
Radiation Shielding Calculations for E1039 Seaquest Experiment
The E1039 Seaquest experiment is designed to study results of interactions of the 120 GeV proton beam, delivered from Main Injector, with transversely polarized hydrogen target in the form of liquid ammonia (NH3). The E1039 experiment is re-using the Neutrino-Muon beamline, spectrometer magnet (FMAG), KMAG, and other hardware from its predecessor—the E906 experiment. Only the central 2 Tesla magnetic field was modeled in the FMAG magnet which also serves also as a beam absorber. Various updates were performed to the beamline and shielding around the magnet compared to E906 including relocation of the target 3 meters upstream of the front face of FMAG. Further, several updates were performed on the MARS15 model developed previously [1-2] in order to better describe important surrounding areas, in particular the counting room. Several optimization iterations of the shielding design were done and only the final configuration is discussed in this document. The model includes realistically stacked concrete shielding blocks along with airgaps required for piping, ductwork and detectors. The main features of the shielding update can be summarized as follows: (i) additional concrete shielding was added above the magnet to degrade the energy of neutrons to thermal levels; (ii) a new target alcove with the target cryostat inside. These updates are intended to provide increased protection for both normal operation and accident conditions upstream of the target. The Figures 1 thru 3 below describe the MARS15 model in detail as well as an excerpt of the 3D CAD model design which was used to build the MARS15 model.
43 PARTICLE ACCELERATORS↗
Challenges and Potential of Waveform Modeling for Crustal Scale Predictions
Waveform modeling is crucial to improving our understanding of observed seismograms. Forward simulation of wavefields provides quantitative methods of testing interactions between complicated source functions and the propagation medium. Here, we discuss three experiments designed to improve under standing of high frequency seismic wave propagation. First, we compare observed and predicted travel times of crustal phases for a set of real observed earthquakes with calculations and synthetic seismograms. Second, we estimate the frequency content of a series of nearly co-located earthquakes of varying magnitude for which we have a relatively well- known 1D velocity model. Third, we apply stochastic perturbations on top of a 3D tomographic model and qualitatively assess how those variations map to differences in the seismograms. While different in scope and aim, these three vignettes illustrate the current state of crustal scale waveform modeling and the potential for future studies to better constrain the structure of the crust.
58 GEOSCIENCES↗
Magnetospheric Magnetic Reconnection with Southward IMF by a 3D EMPM Simulation
We report our new simulation results on magnetospheric magnetic reconnection with southward IMF using a 3D EMPM model, with greater resolution and more particles using the parallelized 3D HPF TRISTAN code on VPP5000 supercomputer. Main parameters used in the new simulation are: domain size is 215 x 145 x 145, grid size = 0.5 Earth radius, initial particle number is 16 per cell, the IMF is southward. Arrival of southward IMF will cause reconnection in the magnetopause, thus allowing particles to enter into the inner magnetosphere. Sunward and tailward high particle flow are observed by satellites, and these phenomena are also observed in the simulation near the neutral line (X line) of the near-Earth magnetotail. This high particle flow goes along with the reconnected island. The magnetic reconnection process contributes to direct plasma entry between the magnetosheath to the inner magnetosphere and plasma sheet, in which the entry process eats the magnetosheath plasma to plasma sheet temperatures. We investigate magnetic, electric fields, density, and current during this magnetic reconnection with southward IMF. Further investigation with this simulation will provide insight into unsolved problems, such as the triggering of storms and substorms, and the storm-substorm relationship. New results will be presented at the meeting.
Nishikawa, K.-I.↗
Initial Development of a new RELAP5-35 Model of HTTF
Previous validation studies of RELAP5-3D against HTTF data demonstrated an ability to reproduce trends in temperature but an inability to reproduce the transient temperature rise. This is hypothesized to be the result of modeling decisions made when the initial RELAP5-3D model was develop prior to the experiments. To test this hypothesis, a new RELAP5-3D model is being developed. This presentation shows results from full power steady-state and in a pressurized conduction cooldown accident using the new model and compares them to results from the legacy model.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Central Plateau Vadose Zone Geoframework
The objective of this environmental calculation file (ECF) is to document the revision of the three dimensional (3D) geoframework model (GFM) of the Central Plateau Vadose Zone (CPVZ) on the Hanford Site. CP-60925, Model Package Report: Central Plateau Vadose Zone Geoframework, documents the original version of the CPVZGFM (herein after called the CPVZ-Rev.0) and is the underlying basis for the CPVZ conceptual model. The CPVZ GFM provides a more detailed interpretation of the vadose zone hydrostratigraphic units (HSUs) in the Central Plateau area of the greater Hanford South geoframework model (HSGFM) (ECF-HANFORD-13-0029, Development of the Hanford South Geologic Framework Model, Hanford Site, Washington). The development of the CPVZ GFM provides a consistent vadose zone geologic framework that is needed to support the 3D, multiple-waste-site modeling approach proposed in CP-60405, Hanford Site Composite Analysis Technical Approach Description: Vadose Zone, while incorporating an appropriate level of geologic data and interpretations for the size of the model using current site-standard HSUs. Future more detailed site-specific investigations within the Central Plateau can then use the CPVZ GFM as a starting point instead of the larger scale HSGFM. This GFM was developed using the site standard and approved for use IHS Kingdom software. This ECF is a revision to the original model described in CP-60925, but the underlying assumptions and conceptual model are unchanged. Therefore, this revision is a new calculation of version 1.0 of the CPVZ GFM and not a new version of the GFM. Throughout this report, the original model documented in CP-60925 is called CPVZ-Rev.0and the calculation for this revision of the model is called CPVZ-Rev.1.
58 GEOSCIENCES↗
Changes in soil water content and lateral flow exert large effects on soil thermal dynamics across Alaskan landscapes
Both lateral surface and subsurface water flow affect soil moisture dynamics, yet most land surface models only solve subsurface water movement vertically. Here, we use a 3D ecosystem model that considers both land surface and subsurface hydrologic processes to simulate soil moisture, which is then used to drive a 1-D vertical soil thermal model to simulate the soil moisture effects on soil thermal dynamics in central Alaska. Our coupled model improves soil temperature (ST) estimates by 43.5% in comparison with observational data. Soil moisture has little effect on ST during the wet season (-1.5%) and a substantial influence during the dry season (60%). Spatially, water lateral flow has significant impacts on both soil moisture and ST, causing model estimates for thawed areas in the transition season to increase by ~10% in the study area. Our results highlight the importance of considering dynamical soil moisture, as well as lateral flow effects, on soil thermal dynamics in permafrost regions.
54 ENVIRONMENTAL SCIENCES↗
In-situ Imaging of Pyrolyzing Aerospace Materials
Tracking morphological changes of materials during heating is crucial to understand its response in fire protection, biofuel production, thermal protection systems (TPS) for hypersonic flight. As materials are heated, they undergo physical and chemical changes due to water loss, stretching or shrinking, pyrolysis and chemical reactions in the ambient environment. The effects of these changes can have a profound impact on the material’s performance, indicated by changes in on the porosity and volume. While materials such as wood shrink as they pyrolyze and lose mass, others swell due to their inherent characteristics when exposed to heat [1]. This study focuses on experiments conducted at the Advanced Light Source (ALS) beamline 8.3.2, where in situ micro-computed tomography (µ-CT) is performed on materials as they are being pyrolyzed. Through in situ µ-CT, the change in total volume and porosity can be obtained in real-time, allowing for better understanding of the underlying thermophysical and chemical processes as a function of temperature. This study also focuses on the implementation of the Porous Microstructure Analysis software (PuMA) [2] to obtain thermal conductivity, permeability, and other properties of the material from the 3D tomographies. The information gained from these tomographies will supplement microscale model development of material morphological change and will aid macroscale modeling for high-temperature applications. For this study, Room Temperature Vulcanizing silicone (RTV) [3-5] is heated from room temperature to 1000°C using an infrared lamp heating system, and tomographies are continuously collected as the sample is heated. The tomographies are then segmented to obtain solid and void phases, from which estimates of pore size, porosity and total volume are extracted as a function of temperature. PuMA is deployed on the segmented tomographies to obtain thermal conductivity, permeability, and other properties as a function of temperature. Preliminary results show that RTV first intumesces (swells) as pyrolysis begins, due to build-up of pyrolysis gases in closed pores, and then shrinks significantly as more open pores are formed and the pyrolysis gases outgas. Pore network visualization of the tomographies using OpenPNM [6] showed the increase in pore connectivity with increase in temperature. Future work will focus on using PuMA to obtain macroscopic properties of RTV as a function of temperature.
Tomography↗
Geothermal Exploration of Mount Baker Hot Springs Through Ground-Based Magnetic and Gravity Surveys
The Washington State Division of Geology and Earth Resources (WDGER), together with the USGS, Altarock Energy Inc., Colorado College, Temple University, Innovate Geothermal Ltd., University of British Columbia, and Western Washington University(WWU), conducted phase two of a geothermal play fairway exploration at three plays (Mount Baker, Mount St. Helens seismic zone, and Wind River valley) along the Washington Cascade Range. The Mount Baker (MB) play is an ideal location for further investigation as a potential geothermal resource due to the presence of thermal features, young volcanic centers, existing geothermal leases, accessibility, and its proximity to existing transmission lines at the Baker Lake Dam. The goal of phase II exploration at all three plays is to collect geologic and geophysical data to help constrain spatial changes in subsurface lithology and structures that may be associated with the geothermal systems. Furthermore, this paper discusses the geothermal potential of the southeast flank of Mount Baker, WA by interpreting newly collected ground-based gravity and magnetic data. The Mount Baker play was surveyed from July-September, 2016 by the USGS, WDGER, and WWU. Results of a detailed magnetic and gravity surveys of the region surrounding the Baker hot springs, the primary surface expression of the hydrothermal system, are presented here. Gravity data were collected at 495 stations in the study area amounting to an area of roughly 150 square km. Approximately 93 km of line magnetometer data were collected within the study area, over a dozen magnetic susceptibility measurements were taken at 50 locations and about 50 hand samples were collected for density measurements. Preliminary data and modeling suggest pronounced magnetic anomalies trending NE/SW, generally in line with previously mapped lineaments identified in LiDAR. We present a series of preliminary two-dimensional forward models of the gravity and magnetic data as well as a 3D inversion model of magnetic susceptibility and interpret these models in terms of the structural controls influencing the Baker hot springs and hydrothermal system.
Geophysics↗
CityBES v2021
City Buildings, Energy, and Sustainability (CityBES) is a web-based data and computing platform, focusing on energy modeling and analysis of a city's building stock to support district or city-scale building energy efficiency programs. CityBES uses an international open data standard, CityGML, to represent and exchange 3D city models. CityBES employs EnergyPlus to simulate building energy use and savings from energy efficient retrofits. Other CityBES features include energy benchmarking, district heating and cooling system modeling, rooftop PV analysis, building performance visualization, heat resilience modeling, as well as urban scale mapping of microclimate and heat vulnerability at census tract level. Different from other tools, CityBES uses integrated open and standard 3D city building data and models each individual building using EnergyPlus. CityBES can be used by urban planners, city energy managers, building owners, utilities, energy consultants and researchers.
Hong, Tianzhen↗