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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Computing the ankle-brachial index with parallel computational fluid dynamics

The ankle-brachial index (ABI), a ratio of arterial blood pressure in the ankles and upper arms, is used to diagnose and monitor circulatory conditions such as coarctation of the aorta and peripheral artery disease. Computational simulations of the ABI can potentially determine the parameters that produce an ABI indicative of ischemia or other abnormalities in blood flow. However, 0- and 1-D computational methods are limited in describing a 3-D patient-derived geometry. Thus, we present a massively parallel framework for computational fluid dynamics (CFD) simulations in the full arterial system. Additionally, using the lattice Boltzmann method to solve the Navier–Stokes equations, we employ highly parallelized and scalable methods to generate the simulation domain and efficiently distribute the computational load among processors. For the first time, we compute an ABI with 3-D CFD. In this proof-of-concept study, we investigate the dependence of ABI on the presence of stenoses, or narrowed regions of the arteries, by directly modifying the arterial geometry. As a result, our framework enables the computation a hemodynamic factor characterizing flow at the scale of the full arterial system, in a manner that is extensible to patient-specific imaging data and holds potential for treatment planning.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1972

Advanced ETC/LSS computerized analytical models, CO2 concentration. Volume 1: Summary document

Computer simulations have been prepared for the concepts of C02 concentration which have the potential for maintaining a C02 partial pressure of 3.0 mmHg, or less, in a spacecraft environment. The simulations were performed using the G-189A Generalized Environmental Control computer program. In preparing the simulations, new subroutines to model the principal functional components for each concept were prepared and integrated into the existing program. Sample problems were run to demonstrate the methods of simulation and performance characteristics of the individual concepts. Comparison runs for each concept can be made for parametric values of cabin pressure, crew size, cabin air dry and wet bulb temperatures, and mission duration.

Taylor, B. N.↗
NASA NTRS1992

Dynamic modeling and simulation of planetary rovers

This paper documents a preliminary study into the dynamic modeling and computer simulation of wheeled surface vehicles. The research centered on the feasibility of using commercially available multibody dynamics codes running on engineering workstations to perform the analysis. The results indicated that physically representative vehicle mechanics can be modeled and simulated in state-of-the-art Computer Aided Engineering environments, but at excessive cost in modeling and computation time. The results lead to the recommendation for the development of an efficient rover mobility-specific software system. This system would be used for vehicle design and simulation in planetary environments; controls prototyping, design, and testing; as well as local navigation simulation and expectation planning.

Lindemann, Randel A.↗
NASA NTRS1991

Numerical propulsion system simulation

The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described below will provide that framework.

R.W. Claus↗
NASA NTRS1990

Numerical propulsion system simulation

The cost of implementing new technology in aerospace propulsion systems is becoming prohibitively expensive. One of the major contributors to the high cost is the need to perform many large scale system tests. Extensive testing is used to capture the complex interactions among the multiple disciplines and the multiple components inherent in complex systems. The objective of the Numerical Propulsion System Simulation (NPSS) is to provide insight into these complex interactions through computational simulations. This will allow for comprehensive evaluation of new concepts early in the design phase before a commitment to hardware is made. It will also allow for rapid assessment of field-related problems, particularly in cases where operational problems were encountered during conditions that would be difficult to simulate experimentally. The tremendous progress taking place in computational engineering and the rapid increase in computing power expected through parallel processing make this concept feasible within the near future. However it is critical that the framework for such simulations be put in place now to serve as a focal point for the continued developments in computational engineering and computing hardware and software. The NPSS concept which is described will provide that framework.

Lytle, John K.↗
DOE OSTI2015

Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds

We report results from computational simulations of an experimental, lab-scale bubbling bed biomass pyrolysis reactor that include a distributed activation energy model (DAEM) for the kinetics. In this study, we utilized multiphase computational fluid dynamics (CFD) to account for the turbulent hydrodynamics, and this was combined with the DAEM kinetics in a multi-component, multi-step reaction network. Our results indicate that it is possible to numerically integrate the coupled CFD–DAEM system without significantly increasing computational overhead. It is also clear, however, that reactor operating conditions, reaction kinetics, and multiphase flow dynamics all have major impacts on the pyrolysis products exiting the reactor. We find that, with the same pre-exponential factors and mean activation energies, inclusion of distributed activation energies in the kinetics can shift the predicted average value of the exit vapor-phase tar flux and its statistical distribution, compared to single-valued activation-energy kinetics. Perhaps the most interesting observed trend is that increasing the diversity of the DAEM activation energies appears to increase the mean tar yield, all else being equal. As a result, these findings imply that accurate resolution of the reaction activation energy distributions will be important for optimizing biomass pyrolysis processes.

09 BIOMASS FUELS↗
DOE OSTI2019

Coupled CFD and chemical-kinetics simulations of cellulosic-biomass enzymatic hydrolysis: Mathematical-model development and validation

Computational simulations of cellulosic-biomass enzymatic hydrolysis using a computational-fluid-dynamics (CFD) model coupled to a chemical-kinetics model are presented in this work. A time-step sub-cycling strategy was used to circumvent large disparities in time scales with respect to transport physics and chemical kinetics. The unknown reaction and transport parameters in the mathematical model were first fit to two canonical experiments: a well-mixed case that was limited by reaction kinetics and a settled-solids case that was limited by transport. Here, the model was then validated against a benchtop experiment for an intermediate-mixing scenario, for which simulation results were in reasonable agreement with experimentally measured cellulose conversions. Settling of cellulose particles and diffusion of enzymes determine overall conversion rates for lower mixing rates, while reaction rates dominate conversion at higher mixing rates for which greater homogenization of substrates is achieved.

09 BIOMASS FUELS↗
NASA NTRS1993

Probe Compensation Characterization in Cylindrical Near-Field Scanning

This paper presents a useful computer simulation methodology to properly characterize the role of probe compensation in cylindrical near-field scanning. The methodology is applied to a linear test array antenna and has been applied to other antenna configurations.

probe compensation near-field scanning waveguide r↗
NASA NTRS1993

An Unipolar Terminal-Attractor Based Neural Associative Memory with Adaptive Threshold and Perfect Convergence

For the first time, a unipolar terminal-attractor based neural associative memory (TABAM)system with adaptive threshold and perfect convergence is presented. By adaptively setting thethreshold values for the dynamic iteration for the unipolar binary neuron states with terminal-attractors and inner-product approach, we demonstrate via computer simulation the achievement ofperfect convergence and correct retrieval. The simulation is completed with a small number of storedstates (M) and a small number of neurons (N) but a large M/N ratio. An experiment with exclusive-or logic operation using LCTV SLMs is used to show feasibility of the optoelectronic implementationof the models.

Associative↗
NASA NTRS1997

Linear and nonlinear ARMA model parameter estimation using an artificial neural network

This paper addresses parametric system identification of linear and nonlinear dynamic systems by analysis of the input and output signals. Specifically, we investigate the relationship between estimation of the system using a feedforward neural network model and estimation of the system by use of linear and nonlinear autoregressive moving-average (ARMA) models. By utilizing a neural network model incorporating a polynomial activation function, we show the equivalence of the artificial neural network to the linear and nonlinear ARMA models. We compare the parameterization of the estimated system using the neural network and ARMA approaches by utilizing data generated by means of computer simulations. Specifically, we show that the parameters of a simulated ARMA system can be obtained from the neural network analysis of the simulated data or by conventional least squares ARMA analysis. The feasibility of applying neural networks with polynomial activation functions to the analysis of experimental data is explored by application to measurements of heart rate (HR) and instantaneous lung volume (ILV) fluctuations.

NASA Discipline Regulatory Physiology↗
NASA NTRS1993

Quantification of uncertainties in composites

An integrated methodology is developed for computationally simulating the probabilistic composite material properties at all composite scales. The simulation requires minimum input consisting of the description of uncertainties at the lowest scale (fiber and matrix constituents) of the composite and in the fabrication process variables. The methodology allows the determination of the sensitivity of the composite material behavior to all the relevant primitive variables. This information is crucial for reducing the undesirable scatter in composite behavior at its macro scale by reducing the uncertainties in the most influential primitive variables at the micro scale. The methodology is computationally efficient. The computational time required by the methodology described herein is an order of magnitude less than that for Monte Carlo Simulation. The methodology has been implemented into the computer code PICAN (Probabilistic Integrated Composite ANalyzer). The accuracy and efficiency of the methodology/code are demonstrated by simulating the uncertainties in the heat-transfer, thermal, and mechanical properties of a typical laminate and comparing the results with the Monte Carlo simulation method and experimental data. The important observation is that the computational simulation for probabilistic composite mechanics has sufficient flexibility to capture the observed scatter in composite properties.

Liaw, D. G.↗
DOE OSTI2020

On the Stark Effect of the O I 777-nm Triplet in Plasma and Laser Fields

The O I 777-nm triplet transition is often used for plasma density diagnostics. It is also employed in nonlinear optics setups for producing quasi-comb structures when pumped by a near-resonant laser field. Here, we apply computer simulations to situations of the radiating atom subjected to the plasma microfields, laser fields, and both perturbations together. Our results, in particular, resolve a controversy related to the spectral line anomalously broadened in some laser-produced plasmas. The importance of using time-dependent density matrix is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects

Impregnation of porous carbon matrices with liquid sulfur has been exploited to fabricate composite cathodes for lithium-sulfur batteries, aimed at confining soluble sulfur species near conducting carbon to prevent both loss of active material into the electrolyte and parasitic reactions at the lithium metal anode. Here, through extensive computer simulations, we uncover the strongly favorable interfacial free energy between liquid sulfur and graphitic surfaces that underlies this phenomenon. Previously unexplored curvature-dependent enhancements are shown to favor the filling of smaller pores first and effect a quasi-liquid sulfur phase in microporous domains (diameters <2 nm) that persists ~30° below the expected freezing point. Evidence of interfacial sulfur on carbon is shown to be a 0.3 eV red shift in the simulated and measured interfacial X-ray absorption spectra. Our results elucidate the critical morphology and thermodynamic properties necessary for future cathode design and highlight the importance of molecular-scale details in defining emergent properties of functional nanoscale interfaces.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Concentrations of anesthetics across the water-membrane interface; the Meyer-Overton hypothesis revisited

The free energies of transferring a variety of anesthetic and nonanesthetic compounds across water-oil and water-membrane interfaces were obtained using computer simulations. Anesthetics exhibit greatly enhanced concentrations at these interfaces, compared to nonanesthetics. The substitution of the interfacial solubilites of the anesthetics for their bulk lipid solubilities in the Meyer-Overton relation, was found to give a better correlation, indicating that the potency of an anesthetic is directly proportional to its solubility at the interface.

NASA Center ARC↗
NASA NTRS2003

Membrane peptides and their role in protobiological evolution

How simple membrane peptides performed such essential protocellular functions as transport of ions and organic matter across membranes separating the interior of the cell from the environment, capture and utilization of energy, and transduction of environmental signals, is a key question in protobiological evolution. On the basis of detailed, molecular-level computer simulations we explain how these peptides fold at water-membrane interfaces, insert into membranes, self-assemble into higher-order structures and acquire functions. We have investigated the interfacial behavior and folding of several peptides built of leucine and glutamine residues and have demonstrated that many of them tend to adopt ordered structures. Further, we have studied the insertion of an alpha-helical peptide containing leucine (L) and serine (S) of the form (LSLLLSL)3 into a model membrane. The transmembrane state is metastable, and approximately 15 kcal mol(-1) is required to insert the peptide into the membrane. Investigations of dimers formed by (LSLLLSL)3 and glycophorin A demonstrate how the favorable free energy of helix association can offset the unfavorable free energy of insertion, leading to self-assembly of peptide helices in the membrane. An example of a self-assembled structure is the tetrameric transmembrane pore of the influenza virus M2 protein, which is an efficient and selective voltage-gated proton channel. Our simulations explain the gating mechanism and provide guidelines how to re-engineer the channel to act as a simple proton pump. In general, emergence of integral membrane proteins appears to be quite feasible and may be easier to envision than the emergence of water-soluble proteins.

Models, Chemical↗
NASA NTRS1998

Spiral waves are stable in discrete element models of two-dimensional homogeneous excitable media

The spontaneous breakup of a single spiral wave of excitation into a turbulent wave pattern has been observed in both discrete element models and continuous reaction-diffusion models of spatially homogeneous 2D excitable media. These results have attracted considerable interest, since spiral breakup is thought to be an important mechanism of transition from the heart rhythm disturbance ventricular tachycardia to the fatal arrhythmia ventricular fibrillation. It is not known whether this process can occur in the absence of disease-induced spatial heterogeneity of the electrical properties of the ventricular tissue. Candidate mechanisms for spiral breakup in uniform 2D media have emerged, but the physical validity of the mechanisms and their applicability to myocardium require further scrutiny. In this letter, we examine the computer simulation results obtained in two discrete element models and show that the instability of each spiral is an artifact resulting from an unphysical dependence of wave speed on wave front curvature in the medium. We conclude that spiral breakup does not occur in these two models at the specified parameter values and that great care must be exercised in the representation of a continuous excitable medium via discrete elements.

NASA Discipline Cardiopulmonary↗
NASA NTRS1997

Progressive Damage and Fracture of Unstiffened and Stiffened Composite Pressure Vessels

Structural durability and damage tolerance characteristics of pressurized graphite/epoxy laminated thin composite cylinders are investigated via computational simulation. Both unstiffened and integral hoop stiffened cylinders are considered. A computer code is utilized for the simulation of composite structural degradation under loading. Damage initiation, growth, accumulation, and propagation to structural fracture are included in the simulation. The increase of burst pressure due to hoop stiffening is quantified. Results demonstrate the significance of the type and size of local defects on the structural durability of pressurized composite cylindrical shells.

Minnetyan, Levon↗