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At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Regional-scale fault-to-structure earthquake simulations with the EQSIM framework: Workflow maturation and computational performance on GPU-accelerated exascale platforms

Continuous advancements in scientific and engineering understanding of earthquake phenomena, combined with the associated development of representative physics-based models, is providing a foundation for high-performance, fault-to-structure earthquake simulations. However, regional-scale applications of high-performance models have been challenged by the computational requirements at the resolutions required for engineering risk assessments. The EarthQuake SIMulation (EQSIM) framework, a software application development under the US Department of Energy (DOE) Exascale Computing Project, is focused on overcoming the existing computational barriers and enabling routine regional-scale simulations at resolutions relevant to a breadth of engineered systems. This multidisciplinary software development—drawing upon expertise in geophysics, engineering, applied math and computer science—is preparing the advanced computational workflow necessary to fully exploit the DOE’s exaflop computer platforms coming online in the 2023 to 2024 timeframe. Achievement of the computational performance required for high-resolution regional models containing upward of hundreds of billions to trillions of model grid points requires numerical efficiency in every phase of a regional simulation. This includes run time start-up and regional model generation, effective distribution of the computational workload across thousands of computer nodes, efficient coupling of regional geophysics and local engineering models, and application-tailored highly efficient transfer, storage, and interrogation of very large volumes of simulation data. This article summarizes the most recent advancements and refinements incorporated in the workflow design for the EQSIM integrated fault-to-structure framework, which are based on extensive numerical testing across multiple graphics processing unit (GPU)-accelerated platforms, and demonstrates the computational performance achieved on the world’s first exaflop computer platform through representative regional-scale earthquake simulations for the San Francisco Bay Area in California, USA.

58 GEOSCIENCES↗
NASA NTRS2006

Completing and Adapting Models of Biological Processes

We present a learning-based method for model completion and adaptation, which is based on the combination of two approaches: 1) R2D2C, a technique for mechanically transforming system requirements via provably equivalent models to running code, and 2) automata learning-based model extrapolation. The intended impact of this new combination is to make model completion and adaptation accessible to experts of the field, like biologists or engineers. The principle is briefly illustrated by generating models of biological procedures concerning gene activities in the production of proteins, although the main application is going to concern autonomic systems for space exploration.

Margaria, Tiziana↗
NASA NTRS2004

A 3D Convective Model for the Jovian Wind Bands

In an earlier paper, we proposed that Jupiter's alternating wind bands are a manifestation of the global interaction between rotation and convection in a shallow layer. The model, however, was obtained from linearization of the 2D equations of motions. At HKUST/Hong Kong, we are now trying to study this problem by rigorous numerical simulation. Using a three-dimensional spectral numerical code, we compute models for the outermost layer of Jupiter's convective envelope. Two cases have been studied. In one the atmospheric pressure varies from 1 to 23 bar, and in the other from 1 to 115 bar. The physical parameters (internal energy flux, rotation rate) are chosen to be close to those expected, but solar heating, chemistry, as well as dynamical influences from deeper layers are ignored. The models generate wind field patterns that contain alternating jet streams with resemblance to the Jovian bands. Instantaneous values of the mean zonal flow at the equator reach 80 m/sec. Yet the mean meridional flows are less than 1% of such value. The meridional temperature profile at the cloud top level also shows a double hump structure of a few degrees (as observed) in the subtropics. Though there is not complete quantitative agreement (caused perhaps by neglected effects like solar radiation), these models demonstrate, in principle, the feasibility of generating a Jovian type wind pattern through the interaction of fast rotation and convection in a thin shell.

Mayr, H. G.↗
NASA NTRS2020

ROMAN CGI Testbed WFSC Modeling and Validation

Optical diffraction and wavefront sensing and control (WFSC) models validated against the high-fidelity Roman Space Telescope Coronagraph Instrument (CGI) testbed play a key role in mask design selection and the verification of many requirements that cannot be accomplished until the observatory is in orbit. We have been steadily improving our model fidelity for the as-built CGI testbed system, demonstrating recently good agreement between measurements and model predictions while validating the Hybrid Lyot Coronagraph’s (HLC) performance using the in-orbit high order wavefront sensing and control (HOWFSC) operational scenario. We present modeling and testbed validation results that explain the reason many testbed WFSC iterations were needed for HLC in the past. A new, direct application of model-generated deformable mirror (DM) solutions has since been successfully demonstrated on the testbed with significant speed and performance improvement. The benefit of using such a solution opens up new model-based WFSC approaches for CGI. This can greatly reduce flight risk from potentially insufficient ground solution generation due to schedule or cost constraints or from unexpected post-delivery changes.

Poberezhskiy, Ilya↗
DOE OSTI2017

Twistact techno-economic analysis for wind turbine applications.

This report is the final deliverable for a techno-economic analysis of the Sandia National Laboratories-developed Twistact rotary electrical conductor. The U.S. Department of Energy Wind Energy Technologies Office supported a team of researchers at Sandia National Laboratories and the National Renewable Energy Laboratory to evaluate the potential of the Twistact technology to serve as a viable replacement to rare-earth materials used in permanent-magnet direct-drive wind turbine generators. This report compares three detailed generator models, two as baseline technologies and a third incorporating the Twistact technology. These models are then used to calculate the levelized cost of energy (LCOE) for three comparable offshore wind plants using the three generator topologies. The National Renewable Energy Laboratory s techno-economic analysis indicates that Twistact technology can be used to design low-maintenance, brush-free, and wire-wound (instead of rare-earth-element (REE) permanent-magnet), direct-drive wind turbine generators without a significant change in LCOE and generation efficiency. Twistact technology acts as a hedge against sources of uncertain costs for direct-drive generators. On the one hand, for permanent-magnet direct-drive (PMDD) generators, the long-term price of REEs may increase due to increases in future demand, from electric vehicles and other technologies, whereas the supply remains limited and geographically concentrated. The potential higher prices in the future adversely affect the cost competitiveness of PMDD generators and may thwart industry investment in the development of the technology for wind turbine applications. Twistact technology can eliminate industry risk around the uncertainty of REE price and availability. Traditional wire-wound direct-drive generators experience reliability issues and higher maintenance costs because of the wear on the contact brushes necessary for field excitation. The brushes experience significant wear and require regular replacement over the lifetime of operation (on the order of a year or potentially less time). For offshore wind applications, the focus of this study, maintenance costs are higher than typical land-based systems due to the added time it often requires to access the site for repairs. Thus, eliminating the need for regular brush replacements reduces the uncertain costs and energy production losses associated with maintenance and replacement of contact brushes. Further, Twistact has a relatively negligible impact on LCOE but hedges risks associated with the current dominant designs for direct-drive generators for PMDD REE price volatility and wire-wound generator contact brush reliability. A final section looks at the overall supply chain of REEs considering the supply-side and demand-side drivers that encourage the risk of depending on these materials to support future deployment of not only wind energy but other industries as well.

17 WIND ENERGY↗
DOE OSTI2024

Investigating a Potential Hafnium Bias in SCALE [Slides]

Previous work has examined the evidence for a gadolinium bias within SCALE. This work extends the previous work to include benchmark models with hafnium experiments from the ICSBEP Handbook. VALID contains only one experiment with hafnium: MIX-COMP-THERM-008. Newly generated models provide an opportunity to assess the potential presence of a hafnium bias.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Scalable Truck Charging Demand Simulation for Cost-Optimized Infrastructure Planning

This project developed a scalable, high-resolution model to simulate medium- and heavy-duty (MHD) electric truck charging demand and assess its impact on grid infrastructure. Using generative modeling, simulation, and cost optimization, the project delivered an end-to-end software pipeline and a library of 96 real-world scenarios for the Dallas–Houston megaregion. We demonstrated a modular architecture for transportation and grid modeling, implemented cost-optimized infrastructure planning methods, and quantified grid capital, operational, and environmental costs across a wide range of truck electrification scenarios. The results have been adopted by major utility stakeholders and contributed to regional planning efforts.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS2007

High-LET Patterns of DSBs in DNA Loops, the HPRT Gene and Phosphorylation Foci

We present new results obtained with our model based on the track structure and chromatin geometry that predicts the DSB spatial and genomic distributions in a cell nucleus with the full genome represented. The model generates stochastic patterns of DSBs in the physical space of the nucleus filled with the realistic configuration of human chromosomes. The model was re-used to find the distribution of DSBs in a physical volume corresponding to a visible phosphorylation focus believed to be associated with a DSB. The data shows whether there must more than one DSB per foci due to finite size of the visible focus, even if a single DSB is radiochemically responsible for the phosphorylation of DNA in its vicinity. The same model can predict patterns of closely located DSBs in a given gene, or in a DNA loop, one of the large-scale chromatin structures. We demonstrated for the example of the HPRT gene, how different sorts of radiation lead to proximity effect in DSB locations, which is important for modeling gene deletions. The spectrum of intron deletions and total gene deletions was simulated for the HPRT gene. The same proximity effect of DSBs in a loop can hinder DSB restitutions, as parts of the loop between DSBs is deleted with a higher likelihood. The distributions of DSBs and deletions of DNA in a loop are presented.

Ponomarev, Artem L.↗
NASA NTRS2010

CFD Fuel Slosh Modeling of Fluid-Structure Interaction in Spacecraft Propellant Tanks with Diaphragms

Liquid sloshing within spacecraft propellant tanks causes rapid energy dissipation at resonant modes, which can result in attitude destabilization of the vehicle. Identifying resonant slosh modes currently requires experimental testing and mechanical pendulum analogs to characterize the slosh dynamics. Computational Fluid Dynamics (CFD) techniques have recently been validated as an effective tool for simulating fuel slosh within free-surface propellant tanks. Propellant tanks often incorporate an internal flexible diaphragm to separate ullage and propellant which increases modeling complexity. A coupled fluid-structure CFD model is required to capture the damping effects of a flexible diaphragm on the propellant. ANSYS multidisciplinary engineering software employs a coupled solver for analyzing two-way Fluid Structure Interaction (FSI) cases such as the diaphragm propellant tank system. Slosh models generated by ANSYS software are validated by experimental lateral slosh test results. Accurate data correlation would produce an innovative technique for modeling fuel slosh within diaphragm tanks and provide an accurate and efficient tool for identifying resonant modes and the slosh dynamic response.

Sances, Dillon J.↗
DOE OSTI2017

Analysis of Neutron Spectrum and Control Rod Worth Measurements in Several ZPPR-15 Loadings

This paper discusses the analysis of neutron spectrum and control rod reactivity worth measurements with deterministic and Monte Carlo methods. Deterministic results are obtained with 3D reactor models generated with the BuildZPRModel tools developed at ANL. The Monte Carlo simulations are performed with MCNP6 and are based on 3D models that include all geometric details ('as built' models). This study also shows the application of the cross section processing options recently implemented in BuildZPRModel that are based on the leakage and TWODANT method to take better into account the coupling effects among the different reactor zones.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1972

Detailed mathematical models of a radioisotope thermoelectric generator.

Two new models for the design and performance analysis of RTG's are outlined in this paper. The first model assumes a small-signal transient-type calculational sequence that permits the separation of steady-state operation of the generator from its dynamic behavior. The second model uses a numerical (finite difference) solution of the performance equations of the RTG. Both models enable the investigation of transient and steady-state performance of RTG's. Simplifying assumptions have been kept to a minimum in the new RTG models and these models enable the inclusion of generator end losses, axial temperature gradients and heat interchange between thermoelements and thermal insulation in RTG performance calculations in a self-consistent manner.

Dewinter, F.↗
DOE OSTI2014

Quantitative modeling of the accuracy in registering preoperative patient-specific anatomic models into left atrial cardiac ablation procedures

Purpose: In cardiac ablation therapy, accurate anatomic guidance is necessary to create effective tissue lesions for elimination of left atrial fibrillation. While fluoroscopy, ultrasound, and electroanatomic maps are important guidance tools, they lack information regarding detailed patient anatomy which can be obtained from high resolution imaging techniques. For this reason, there has been significant effort in incorporating detailed, patient-specific models generated from preoperative imaging datasets into the procedure. Both clinical and animal studies have investigated registration and targeting accuracy when using preoperative models; however, the effect of various error sources on registration accuracy has not been quantitatively evaluated. Methods: Data from phantom, canine, and patient studies are used to model and evaluate registration accuracy. In the phantom studies, data are collected using a magnetically tracked catheter on a static phantom model. Monte Carlo simulation studies were run to evaluate both baseline errors as well as the effect of different sources of error that would be present in a dynamicin vivo setting. Error is simulated by varying the variance parameters on the landmark fiducial, physical target, and surface point locations in the phantom simulation studies. In vivo validation studies were undertaken in six canines in which metal clips were placed in the left atrium to serve as ground truth points. A small clinical evaluation was completed in three patients. Landmark-based and combined landmark and surface-based registration algorithms were evaluated in all studies. In the phantom and canine studies, both target registration error and point-to-surface error are used to assess accuracy. In the patient studies, no ground truth is available and registration accuracy is quantified using point-to-surface error only. Results: The phantom simulation studies demonstrated that combined landmark and surface-based registration improved landmark-only registration provided the noise in the surface points is not excessively high. Increased variability on the landmark fiducials resulted in increased registration errors; however, refinement of the initial landmark registration by the surface-based algorithm can compensate for small initial misalignments. The surface-based registration algorithm is quite robust to noise on the surface points and continues to improve landmark registration even at high levels of noise on the surface points. Both the canine and patient studies also demonstrate that combined landmark and surface registration has lower errors than landmark registration alone. Conclusions: In this work, we describe a model for evaluating the impact of noise variability on the input parameters of a registration algorithm in the context of cardiac ablation therapy. The model can be used to predict both registration error as well as assess which inputs have the largest effect on registration accuracy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
NASA NTRS1991

The role of the sea-surface temperature distribution on numerically simulated cyclogenesis during ERICA

The goal was to quantify the extent to which a sea surface temperature (SST) front can influence cyclogenesis. The approach was to use the Drexel Limited-Area Mesoscale Prediction System (LAMPS) dynamical model to simulate cyclogenesis over various SST fields. Research during the past year focused on the development and testing of a four dimensional data assimilation (FDDA) technique within LAMPS. The technique is a continuous dynamical assimilation where forcing terms are added to the governing model equations to gradually nudge the model solution toward a gridded analysis. Here, the nudging is used as a dynamic initialization tool during a 12 hour preforecast to generate model balanced initial conditions for a subsequent 24 hour numerical prediction. Tests were performed to determine which variables to nudge and how to specify the four dimensional weighting function used to scale the nudging terms. To date, optimal results were obtained by nudging the u and v components of the wind along with the potential temperature. The weighting function ranged from 0 to 1 and varies in time as a quadratic polynomial. It was initialized at 0, reached its maximum at 9 hours into the preforecast, and fell back at 0 to 12 hours. The nudging terms are included in the model equations for all grid points except those within the model predicted oceanic boundary layer. This design attempts to confine changes imposed by the specified SST field to the oceanic boundary layer during the preforecast period.

Lapenta, William M.↗
NASA NTRS2025

Assessment of Model Outcomes Between the Integrated Medical Model (IMM) and the Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT)

The Medical Extensible Dynamic Probabilistic Risk Assessment Tool (MEDPRAT) is a computational model that provides human health and medical risk predictions for crewed spaceflight missions. MEDPRAT utilizes discrete event modeling and dynamic probabilistic simulation to predict critical mission outcomes (total medical events, crew health index, quality time lost, loss of crew life, removal to definitive care), condition occurrences, and resource consumption. Input parameters for MEDPRAT include crew attributes (e.g., sex), types of mission activities (e.g., whether and where crew members perform an extravehicular activity (EVA)), available resources, treatment information, and probability distributions for medical conditions. As an evolution of the Integrated Medical Model (IMM), MEDPRAT provides enhanced capabilities and higher fidelity, and incorporates more appropriate assumptions for long-duration spaceflight. IMM is the currently accepted standard for quantifying spaceflight mission medical risk in NASA operations that uses a probabilistic risk assessment (PRA) approach. MEDPRAT builds on the same logical foundation as IMM but implements the model architecture through highly optimized Monte Carlo sampling methods. An analysis is performed comparing the outputs from IMM with those from MEDPRAT V1.0 and V2.0 for the same reference missions in order to quantify similarities and differences in the model outcomes. The juxtaposition between IMM and MEDPRAT V1.0 and 2.0 shown in this report demonstrates that these two models generate very similar results; where differences in outcomes are shown, these are in accordance with the underlying assumptions and differences in the model architectures. This validation effort further establishes the credibility and reliability of the MEDPRAT software.

Matthew T Prelich↗
DOE OSTI2018

Big Data Mining for Applied Energy Savings in Buildings

Residential and commercial buildings in China, India, the United States (US), United Kingdom (UK), and Italy consume 39-45% of each nation's primary energy (approximately 73% of electricity). Building energy models can be used to automatically optimize the return-on-investment for retrofits to improve a building’s energy efficiency. However, with an average of 3,000 building descriptors necessary to accurately simulate a single building, there is a market need to reduce the transaction cost for creating a simulatable model for every building in a city and calibrate the models to utility data prior to capital expenditures. Oak Ridge National Laboratory has utilized two of the world’s fastest supercomputers, assembled unique datasets, and developed innovative algorithms for big data mining to produce the Automatic detection and creation of Building Energy Models (AutoBEM) technology for urban-scale energy modeling. The project developed the world’s most accurate method for determining building footprints from satellite imagery and the world’s fastest building energy model generator. The team has also leveraged a total of eight supercomputers to analyze the best methods, metrics, and algorithms for calibrating building models to measured data within 4% of hourly electricity use; well beyond current industry standards necessary for private-sector financing. The project developed the world’s fastest buildings simulator, over 8 million simulations totaling over 200TB, and mined this data with over 130,000 parallel artificial intelligence algorithmic instances to develop the world’s best calibration algorithm in terms of accuracy, runtime, and robustness.

New, Joshua↗
NASA NTRS1982

Computer modeling of thermoelectric generator performance

Features of the DEGRA 2 computer code for simulating the operations of a spacecraft thermoelectric generator are described. The code models the physical processes occurring during operation. Input variables include the thermoelectric couple geometry and composition, the thermoelectric materials' properties, interfaces and insulation in the thermopile, the heat source characteristics, mission trajectory, and generator electrical requirements. Time steps can be specified and sublimation of the leg and hot shoe is accounted for, as are shorts between legs. Calculations are performed for conduction, Peltier, Thomson, and Joule heating, the cold junction can be adjusted for solar radition, and the legs of the thermoelectric couple are segmented to enhance the approximation accuracy. A trial run covering 18 couple modules yielded data with 0.3% accuracy with regard to test data. The model has been successful with selenide materials, SiGe, and SiN4, with output of all critical operational variables.

Chmielewski, A. B.↗
DOE OSTI2022

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange

In this report, electronic structure calculations based on Kohn-Sham density functional theory (KSDFT) that incorporate exact exchange or hybrid functionals are associated with large computational expense, a consequence of the inherent cubic scaling bottleneck and large associated prefactor, which limits the length and time scales that can be accessed. Though orbital-free density functional theory (OFDFT) calculations scale linearly with system size and are associated with significantly smaller prefactor, they are limited by the absence of accurate density-dependent kinetic energy functionals. Therefore, the development of accurate density-dependent kinetic energy functionals is important for OFDFT calculations of large realistic systems. To this end, we propose a method to train kinetic energy functional models at the exact-exchange level of theory by using a dictionary of physically relevant terms that have been proposed in the literature in conjunction with linear or nonlinear regression methods to obtain the fitting coefficients. For our dictionary, we use gradient expansion of the kinetic energy, nonlocal models proposed in the literature and their nonlinear combinations, such as a model that incorporates spatial correlations between higher order derivatives of electron density at two points. The predictive capabilities of these models are assessed by using a variety of model one-dimensional systems that exhibit diverse bonding characteristics, such as a chain of eight hydrogens, LiF, LiH, C 4 H 2 , C 4 N 2 and C 3 O 2 . We show that by using data from model one-dimensional KSDFT calculations performed using the exact-exchange functional for only a few neutral structures, it is possible to generate models with high accuracy for charged systems as well as electron and kinetic energy densities during self-consistent field iterations. In addition, we show that it possible to learn both the orbital dependent terms, i.e., the kinetic energy and the exact-exchange energy, and models that incorporate additional nonlinearities in spatial correlations, such as a quadratic model, are needed to capture subtle features of the kinetic energy density that are present in exact-exchange-based KSDFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

SU-E-J-151: Day-To-Day Variations in Fraction-Specific Motion Modeling Using Patient 4DCBCT Images

Purpose: The goal of this study is to quantify the interfraction reproducibility of patient-specific motion models derived from 4DCBCT acquired on the day of treatment of lung cancer stereotactic body radiotherapy (SBRT) patients. Methods: Motion models are derived from patient 4DCBCT images acquired daily over 3–5 fractions of treatment by 1) applying deformable image registration between each 4DCBCT image and a reference phase from that day, resulting in a set of displacement vector fields (DVFs), and 2) performing principal component analysis (PCA) on the DVFs to derive a motion model. The motion model from the first day of treatment is compared to motion models from each successive day of treatment to quantify variability in motion models generated from different days. Four SBRT patient datasets have been acquired thus far in this IRB approved study. Results: Fraction-specific motion models for each fraction and patient were derived and PCA eigenvectors and their associated eigenvalues are compared for each fraction. For the first patient dataset, the average root mean square error between the first two eigenvectors associated with the highest two eigenvalues, in four fractions was 0.1, while it was 0.25 between the last three PCA eigenvectors associated with the lowest three eigenvalues. It was found that the eigenvectors and eigenvalues of PCA motion models for each treatment fraction have variations and the first few eigenvectors are shown to be more stable across treatment fractions than others. Conclusion: Analysis of this dataset showed that the first two eigenvectors of the PCA patient-specific motion models derived from 4DCBCT were stable over the course of several treatment fractions. The third, fourth, and fifth eigenvectors had larger variations.

60 APPLIED LIFE SCIENCES↗