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Results for “Computational 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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Spatially distributed infection increases viral load in a computational model of SARS-CoV-2 lung infection

A key question in SARS-CoV-2 infection is why viral loads and patient outcomes vary dramatically across individuals. Because spatial-temporal dynamics of viral spread and immune response are challenging to study in vivo, we developed Spatial Immune Model of Coronavirus (SIMCoV), a scalable computational model that simulates hundreds of millions of lung cells, including respiratory epithelial cells and T cells. SIMCoV replicates viral growth dynamics observed in patients and shows how spatially dispersed infections can lead to increased viral loads. The model also shows how the timing and strength of the T cell response can affect viral persistence, oscillations, and control. By incorporating spatial interactions, SIMCoV provides a parsimonious explanation for the dramatically different viral load trajectories among patients by varying only the number of initial sites of infection and the magnitude and timing of the T cell immune response. When the branching airway structure of the lung is explicitly represented, we find that virus spreads faster than in a 2D layer of epithelial cells, but much more slowly than in an undifferentiated 3D grid or in a well-mixed differential equation model. These results illustrate how realistic, spatially explicit computational models can improve understanding of within-host dynamics of SARS-CoV-2 infection.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Scaled Vecchia Approximation for Fast Computer-Model Emulation

Many scientific phenomena are studied using computer experiments consisting of multiple runs of a computer model while varying the input settings. Gaussian processes (GPs) are a popular tool for the analysis of computer experiments, enabling interpolation between input settings, but direct GP inference is computationally infeasible for large datasets. We adapt and extend a powerful class of GP methods from spatial statistics to enable the scalable analysis and emulation of large computer experiments. Specifically, we apply Vecchia’s ordered conditional approximation in a transformed input space, with each input scaled according to how strongly it relates to the computer-model response. The scaling is learned from the data by estimating parameters in the GP covariance function using Fisher scoring. Our methods are highly scalable, enabling estimation, joint prediction, and simulation in near-linear time in the number of model runs. In several numerical examples, our approach substantially outperformed existing methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2023

Efficient Calibration of Expensive Computational Models

Accounting for uncertainty when calibrating expensive computational models is a common challenge faced by scientists and engineers. Often Bayesian techniques are adopted to estimate a probability density function over the model parameters given noisy empirical data. The methods used to perform this type of probabilistic calibration are computationally prohibitive in that they require a large number of evaluations of the expensive model. In these cases, surrogate modeling -- that is, using a fast-to-evaluate, lower fidelity stand-in for the original computational model -- may be the only option to alleviate this computational burden. However, the upfront cost of generating training data to build a surrogate model can itself be expensive. As such, it is important to be judicious when selecting training points at which the full-fidelity model is evaluated. Here, an active learning approach is proposed that enables efficient selection of training points using approximate samples of the calibrated parameter probability density function. In this way, the training points can be concentrated in regions where the calibration algorithm requires high model accuracy.

active learning↗
NASA NTRSDate not supplied

Identification and Study of Validation Level Test Cases for Computational Modeling of Non-Charring Ablators

Computational modeling of Thermal Protection System (TPS) materials, used for aerospace applications, provides numerous advantages in preliminary selection and design of a heatshield material and shape for atmospheric entry vehicles. However, to serve as a reliable tool for prediction of material thermal and ablative behavior, the modeling approach needs to be validated against real experimental and flight data, preferably at a range of applied conditions. The validation study is typically very complex as it requires reliable measured data not only for the material thermal response and surface recession, but also well characterized environmental conditions. The validation problem becomes even more complex when the material thermal response is dictated by multi-physics effects such as solid conduction, in-depth thermal decomposition, pyrolysis gas flow and chemical reactions. The multi-physics effects complicate not only the modeling effort, but also the experimental measurement for validation of various aspects of the highly coupled problem. In this study, an attempt is made to identify suitable experimental data that could serve as a source for validation of material thermal response modeling tools. To reduce the computational complexity, this study focuses only on non-charring ablators, where the material thermal response could be modeled with a single governing equation for solid conduction and the ablation is limited only to the surface of the material. With a well characterized and publicly available experimental data being sparse, the study is limited in presenting test cases for only three materials: camphor, graphite and FiberForm® in the sequence of increased modeling complexity. Graphite is a commonly used TPS material for aerospace applications, both for leading edges of high-speed vehicles and internal insulation of solid rocket motors. FiberForm® is a porous carbon pre-form used in preparation of the well known PICA material Tran et al. [1996]. Inclusion of camphor into the list is conditioned with the relative simplicity in modeling the material thermal and chemical response and the low-enthalpy flow environment. In addition, camphor has been used as a simple test material for study of flow transition behavior by Stock and Ginoux [1973] and assessment of a heatshield shape change at flight relevant conditions by Rotondi et al. [2022]. In this work, the identified experimental data was extracted from the public literature and test cases that yet have been published. As it was found from the review, not a single test case contains an exhaustive set of data that would validate every aspect of the material physics. However, in the data collected, various aspects of the material behavior can be still validated, such as surface and in-depth temperature, amount of recession and a shape change. The identified experimental data for each case is accompanied with a characterized flow environment and simulated boundary conditions predicted by a Data-Parallel Line Relaxation (DPLR) code Wright et al. [1998]. In addition, material thermal response numerical simulations in each test case are performed with Kentucky Aerothermodynamics and Thermal Response System (KATS-MR) Zibitsker et al. [2022] providing a comparative study and a sanity check for the proposed validation data. Sample results from the performed numerical study are shown below. Figure 1 shows distribution of surface heat flux and pressure values on a hemi-cylinder model made of FiberForm® and tested in HyMETS arc-jet facility. The results are shown for the high pressure condition among the two tests. Flow simulation was performed with DPLR code on a quarter of original geometry. In the figure, the quarter shape was mirrored across zx and xy planes to show the complete distribution. Figure 2 shows the material response results for the high pressure case (7500 Pa), simulated with KATS-MR and a comparison to the experimental data for the surface temperature and shape shape. The simulation was performed on a 2-D slice, extracted in the xy plane at the middle of the sample. Figure 3 shows the material response simulation for the low pressure case (3500 Pa) and a comparison to the experimental data for surface temperature and shape change.

ablation↗
DOE OSTI2021

In-situ effect in cross-ply laminates under various loading conditions analyzed with hybrid macro/micro-scale computational models

In this article, multi-scale finite element analyses based on three-dimensional (3D) hybrid macro/micro-scale computational models subjected to various loading conditions are carried out to examine the in-situ effect imposed by the neighboring plies on the failure initiation and propagation of cross-ply laminates. A detailed comparative study on crack suppression mechanisms due to the effect of embedded laminar thickness and adjacent ply orientation is presented. Furthermore, we compare the results of in-situ transverse failure strain and strength between the computational models and analytical predictions. Good agreements are generally observed, indicating the constructed computational models are highly accurate to quantify the in-situ effect. Subsequently, empirical formulas for calculating the in-situ strengths as a function of embedded ply thickness and different ply angle between embedded and adjacent plies are developed, during which several material parameters are obtained using a reverse fitting method. Finally, a new set of failure criteria for σ 22 -τ 12 , σ 22 -τ 23 , and σ 11 -τ 12 accounting for the in-situ strengths are proposed to predict laminated composites failure under multi-axial stress states. This study demonstrates an effective and efficient computational technique towards the accurate prediction of the failure behaviors and strengths of cross-ply laminates by including the in-situ effects.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Compare Energy Use in Variable Refrigerant Flow Heat Pumps Field Demonstration and Computer Model

Variable Refrigerant Flow (VRF) heat pumps are often regarded as energy efficient air-conditioning systems which offer electricity savings as well as reduction in peak electric demand while providing improved individual zone setpoint control. One of the key advantages of VRF systems is minimal duct losses which provide significant reduction in energy use and duct space. However, there is limited data available to show their actual performance in the field. Since VRF systems are increasingly gaining market share in the US, it is highly desirable to have more actual field performance data of these systems. An effort was made in this direction to monitor VRF system performance over an extended period of time in a US national lab test facility. Due to increasing demand by the energy modeling community, an empirical model to simulate VRF systems was implemented in the building simulation program EnergyPlus. This paper presents the comparison of energy consumption as measured in the national lab and as predicted by the program. For increased accuracy in the comparison, a customized weather file was created by using measured outdoor temperature and relative humidity at the test facility. Other inputs to the model included building construction, VRF system model based on lab measured performance, occupancy of the building, lighting/plug loads, and thermostat set-points etc. Infiltration model inputs were adjusted in the beginning to tune the computer model and then subsequent field measurements were compared to the simulation results. Differences between the computer model results and actual field measurements are discussed. The computer generated VRF performance closely resembled the field measurements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Computational modeling of residual stress formation during the electron beam melting process for Inconel 718

Here, a computational modeling approach to simulate residual stress formation during the electron beam melting (EBM) process within the additive manufacturing (AM) technologies for Inconel 718 is presented in this paper. The EBM process has demonstrated a high potential to fabricate components with complex geometries, but the resulting components are influenced by the thermal cycles observed during the manufacturing process. When processing nickel based superalloys, very high temperatures (approx. 1000 °C) are observed in the powder bed, base plate, and build. These high temperatures, when combined with substrate adherence, can result in warping of the base plate and affect the final component by causing defects. It is important to have an understanding of the thermo-mechanical response of the entire system, that is, its mechanical behavior towards thermal loading occurring during the EBM process prior to manufacturing a component. Therefore, computational models to predict the response of the system during the EBM process will aid in eliminating the undesired process conditions, a priori, in order to fabricate the optimum component. Such a comprehensive computational modeling approach is demonstrated to analyze warping of the base plate, stress and plastic strain accumulation within the material, and thermal cycles in the system during different stages of the EBM process.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

Computational Model of the Chilldown and Propellant Loading of the Space Shuttle External Tank

This paper describes a computational model of the chilldown and propellant loading of the Space Shuttle External Tank liquid oxygen and hydrogen tanks at Launch Complex 39B at Kennedy Space Center. The purpose of the computational model is to predict the time required to chilldown the entire assembly consisting of the ground system transfer line and propellant tanks in order to compare with observed loading times, to evaluate the feasibility of similar models developed for the Ares I Upper Stage. The model also predicts the history of inflow and outflow from the tank, pressure and temperature inside the tank, and heat leak through the walls. The Generalized Fluid System Simulation Program (GFSSP), a general purpose network flow analysis code, has been used to develop this computational model. The paper describes the simulation of the loading process for both tanks and compares the resulting predictions to measurements

LeClair, Andre C.↗
NASA NTRS1995

Computer model to simulate testing at the National Transonic Facility

A computer model has been developed to simulate the processes involved in the operation of the National Transonic Facility (NTF), a large cryogenic wind tunnel at the Langley Research Center. The simulation was verified by comparing the simulated results with previously acquired data from three experimental wind tunnel test programs in the NTF. The comparisons suggest that the computer model simulates reasonably well the processes that determine the liquid nitrogen (LN2) consumption, electrical consumption, fan-on time, and the test time required to complete a test plan at the NTF. From these limited comparisons, it appears that the results from the simulation model are generally within about 10 percent of the actual NTF test results. The use of actual data acquisition times in the simulation produced better estimates of the LN2 usage, as expected. Additional comparisons are needed to refine the model constants. The model will typically produce optimistic results since the times and rates included in the model are typically the optimum values. Any deviation from the optimum values will lead to longer times or increased LN2 and electrical consumption for the proposed test plan. Computer code operating instructions and listings of sample input and output files have been included.

Mineck, Raymond E.↗
DOE OSTI2013

GEO3D - Three-Dimensional Computer Model of a Ground Source Heat Pump System

This file is the setup file for GEO3D, a computer program written by Jim Menart to simulate vertical wells in conjunction with a heat pump for ground source heat pump (GSHP) systems. This is a very detailed three-dimensional computer model. This program produces detailed heat transfer and temperature field information for a vertical GSHP system.

15 GEOTHERMAL ENERGY↗
NASA NTRS1999

Computational Models of the Cardiovascular System and Its Response to Microgravity

Computational models of the cardiovascular system are powerful adjuncts to ground-based and in-flight experiments. We will provide NSBRI with a model capable of simulating the short-term effects of gravity on cardiovascular function. The model from this project will: (1) provide a rational framework which quantitatively defines interactions among complex cardiovascular parameters and which supports the critical interpretation of experimental results and testing of hypotheses. (2) permit predictions of the impact of specific countermeasures in the context of various hypothetical cardiovascular abnormalities induced by microgravity. Major progress has been made during the first 18 months of the program: (1) We have developed an operational first-order computer model capable of simulating the cardiovascular response to orthostatic stress. The model consists of a lumped parameter hemodynamic model and a complete reflex control system. The latter includes cardiopulmonary and carotid sinus reflex limbs and interactions between the two. (2) We have modeled the physiologic stress of tilt table experiments and lower body negative pressure procedures (LBNP). We have verified our model's predictions by comparing them with experimental findings from the literature. (3) We have established collaborative efforts with leading investigators interested in experimental studies of orthostatic intolerance, cardiovascular control, and physiologic responses to space flight. (4) We have established a standardized method of transferring data to our laboratory from the ongoing NSBRI bedrest studies. We use this data to estimate input parameters to our model and compare our model predictions to actual data to further verify our model. (5) We are in the process of systematically simulating current hypotheses concerning the mechanism underlying orthostatic intolerance by matching our simulations to stand test data from astronauts pre- and post-flight. (6) We are in the process of developing a JAVA version of the simulator which will be distributed amongst the cardiovascular team members. Future work on this project involves modifications of the model to represent a rodent (rat) model, further evaluation of the bedrest astronaut and animal data, and systematic investigation of specific countermeasures.

Kamm, Roger D.↗
DOE OSTI2024

Generalized Bayesian MARS: Tools for Stochastic Computer Model Emulation

The multivariate adaptive regression spline (MARS) approach of Friedman and its Bayesian counterpart are effective approaches for the emulation of computer models. The traditional assumption of Gaussian errors limits the usefulness of MARS, and many popular alternatives, when dealing with stochastic computer models. Here, we propose a generalized Bayesian MARS (GBMARS) framework which admits the broad class of generalized hyperbolic distributions as the induced likelihood function. This allows us to develop tools for the emulation of stochastic simulators which are parsimonious, scalable, and interpretable and require minimal tuning, while providing powerful predictive and uncertainty quantification capabilities. GBMARS is capable of robust regression with t distributions, quantile regression with asymmetric Laplace distributions, and a general form of “Normal-Wald” regression in which the shape of the error distribution and the structure of the mean function are learned simultaneously. We demonstrate the effectiveness of GBMARS on various stochastic computer models, and we show that it compares favorably to several popular alternatives.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1988

Utility of Emulation and Simulation Computer Modeling of Space Station Environmental Control and Life Support Systems

Over the years, computer modeling has been used extensively in many disciplines to solve engineering problems. A set of computer program tools is proposed to assist the engineer in the various phases of the Space Station program from technology selection through flight operations. The development and application of emulation and simulation transient performance modeling tools for life support systems are examined. The results of the development and the demonstration of the utility of three computer models are presented. The first model is a detailed computer model (emulation) of a solid amine water desorbed (SAWD) CO2 removal subsystem combined with much less detailed models (simulations) of a cabin, crew, and heat exchangers. This model was used in parallel with the hardware design and test of this CO2 removal subsystem. The second model is a simulation of an air revitalization system combined with a wastewater processing system to demonstrate the capabilities to study subsystem integration. The third model is that of a Space Station total air revitalization system. The station configuration consists of a habitat module, a lab module, two crews, and four connecting nodes.

Yanosy, James L.↗
NASA NTRS1987

Computer models of the growth of monolayers

Preliminary results from a novel reversible computer model of monolayer nucleation and growth are compared with extant irreversible computer models of monolayer growth's early process stages. Attention is given to the microstructures resulting from direct impingement, the cluster density attributable to direct impingement, microstructures resulting from impingement combined with surface migration, and the cluster density attributable to impingement in combination with surface migration.

Salik, Joshua↗
NASA NTRS1995

Computer Model Of Fragmentation Of Atomic Nuclei

High Charge and Energy Semiempirical Nuclear Fragmentation Model (HZEFRG1) computer program developed to be computationally efficient, user-friendly, physics-based program for generating data bases on fragmentation of atomic nuclei. Data bases generated used in calculations pertaining to such radiation-transport applications as shielding against radiation in outer space, radiation dosimetry in outer space, cancer therapy in laboratories with beams of heavy ions, and simulation studies for designing detectors for experiments in nuclear physics. Provides cross sections for production of individual elements and isotopes in breakups of high-energy heavy ions by combined nuclear and Coulomb fields of interacting nuclei. Written in ANSI FORTRAN 77.

Wilson, John W.↗
DOE OSTI2014

MO-G-17A-04: Internal Dosimetric Calculations for Pediatric Nuclear Imaging Applications, Using Monte Carlo Simulations and High-Resolution Pediatric Computational Models

Purpose: Our purpose is to evaluate the administered absorbed dose in pediatric, nuclear imaging studies. Monte Carlo simulations with the incorporation of pediatric computational models can serve as reference for the accurate determination of absorbed dose. The procedure of the calculated dosimetric factors is described, while a dataset of reference doses is created. Methods: Realistic simulations were executed using the GATE toolkit and a series of pediatric computational models, developed by the “IT'IS Foundation”. The series of the phantoms used in our work includes 6 models in the range of 5–14 years old (3 boys and 3 girls). Pre-processing techniques were applied to the images, to incorporate the phantoms in GATE simulations. The resolution of the phantoms was set to 2 mm3. The most important organ densities were simulated according to the GATE “Materials Database”. Several used radiopharmaceuticals in SPECT and PET applications are being tested, following the EANM pediatric dosage protocol. The biodistributions of the several isotopes used as activity maps in the simulations, were derived by the literature. Results: Initial results of absorbed dose per organ (mGy) are presented in a 5 years old girl from the whole body exposure to 99mTc - SestaMIBI, 30 minutes after administration. Heart, kidney, liver, ovary, pancreas and brain are the most critical organs, in which the S-factors are calculated. The statistical uncertainty in the simulation procedure was kept lower than 5%. The Sfactors for each target organ are calculated in Gy/(MBq*sec) with highest dose being absorbed in kidneys and pancreas (9.29*10{sup 10} and 0.15*10{sup 10} respectively). Conclusion: An approach for the accurate dosimetry on pediatric models is presented, creating a reference dosage dataset for several radionuclides in children computational models with the advantages of MC techniques. Our study is ongoing, extending our investigation to other reference models and evaluating the results with clinical estimated doses.

60 APPLIED LIFE SCIENCES↗