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At least 1,729 records · Page 96

Sensitivity of an atmospheric photochemistry model to chlorine perturbations including consideration of uncertainty propagation

Models of stratospheric photochemistry are generally tested by comparing their predictions for the composition of the present atmosphere with measurements of species concentrations. These models are then used to make predictions of the atmospheric sensitivity to perturbations. Here the problem of the sensitivity of such a model to chlorine perturbations ranging from the present influx of chlorine-containing compounds to several times that influx is addressed. The effects of uncertainties in input parameters, including reaction rate coefficients, cross sections, solar fluxes, and boundary conditions, are evaluated using a Monte Carlo method in which the values of the input parameters are randomly selected. The results are probability distributions for present atmosheric concentrations and for calculated perturbations due to chlorine from fluorocarbons. For more than 300 Monte Carlo runs the calculated ozone perturbation for continued emission of fluorocarbons at today's rates had a mean value of -6.2 percent, with a 1-sigma width of 5.5 percent. Using the same runs but only allowing the cases in which the calculated present atmosphere values of NO, NO2, and ClO at 25 km altitude fell within the range of measurements yielded a mean ozone depletion of -3 percent, with a 1-sigma deviation of 2.2 percent. The model showed a nonlinear behavior as a function of added fluorocarbons. The mean of the Monte Carlo runs was less nonlinear than the model run using mean value of the input parameters.

Stolarski, R. S.↗

A dynamic response model for pressure sensors in continuum and high Knudsen number flows with large temperature gradients

This paper develops a dynamic model for pressure sensors in continuum and rarefied flows with longitudinal temperature gradients. The model was developed from the unsteady Navier-Stokes momentum, energy, and continuity equations and was linearized using small perturbations. The energy equation was decoupled from momentum and continuity assuming a polytropic flow process. Rarefied flow conditions were accounted for using a slip flow boundary condition at the tubing wall. The equations were radially averaged and solved assuming gas properties remain constant along a small tubing element. This fundamental solution was used as a building block for arbitrary geometries where fluid properties may also vary longitudinally in the tube. The problem was solved recursively starting at the transducer and working upstream in the tube. Dynamic frequency response tests were performed for continuum flow conditions in the presence of temperature gradients. These tests validated the recursive formulation of the model. Model steady-state behavior was analyzed using the final value theorem. Tests were performed for rarefied flow conditions and compared to the model steady-state response to evaluate the regime of applicability. Model comparisons were excellent for Knudsen numbers up to 0.6. Beyond this point, molecular affects caused model analyses to become inaccurate.

Whitmore, Stephen A.↗

[Results of Simulation Studies]

Lattice Monte Carlo and off-lattice molecular dynamics simulations of h(sub 1)t(sub 4) and h(sub 4)t(sub l) (head/tail) amphiphile solutions have been performed as a function of surfactant concentration and temperature. The lattice and off-lattice systems exhibit quite different self-assembly behavior at equivalent thermodynamic conditions. We found that in the weakly aggregating regime (no preferred-size micelles), all models yield similar micelle size distributions at the same average aggregation number, albeit at different thermodynamic conditions (temperatures). In the strongly aggregating regime, this mapping between models (through temperature adjustment) fails, and the models exhibit qualitatively different micellization behavior. Incipient micellization in a model self-associating telechelic polymer solution results in a network with a transient elastic response that decays by a two-step relaxation: the first is due to a heterogeneous jump-diffusion process involving entrapment of end-groups within well-defined clusters and this is followed by rapid diffusion to neighboring clusters and a decay (terminal relaxation) due to cluster disintegration. The viscoelastic response of the solution manifests characteristics of a glass transition and entangled polymer network.

Source record↗

Model-based prognostics for batteries which estimates useful life and uses a probability density function

This invention develops a mathematical model to describe battery behavior during individual discharge cycles as well as over its cycle life. The basis for the form of the model has been linked to the internal processes of the battery and validated using experimental data. Effects of temperature and load current have also been incorporated into the model. Subsequently, the model has been used in a Particle Filtering framework to make predictions of remaining useful life for individual discharge cycles as well as for cycle life. The prediction performance was found to be satisfactory as measured by performance metrics customized for prognostics for a sample case. The work presented here provides initial steps towards a comprehensive health management solution for energy storage devices.

Saha, Bhaskar↗

Dynamics in Layer Models of Solid Flame Propagation

Self-propagating high-temperature synthesis (SHS) is a process in which combustion waves, e.g., "solid flames", which are considered here, are employed to synthesize desired materials. Like many other systems, SHS is a pattern forming system. The problem of describing experimentally observed patterns and of predicting new, as yet unobserved, patterns continues to attract the attention of scientists and mathematicians due to the fundamental significance of the phenomena in combustion in particular, and in nonlinear science in general. Here, we analyze the dynamics of solid flame propagation in a 2D region by considering the region to be composed of parallel, identical layers aligned along the direction of propagation and having thermal contact. Each layer is then described by wave propagation in 1D, with the transverse Laplacian replaced by a term describing heat exchange between neighboring layers. This configuration is the simplest model of a 2D system because it accounts, in a simple way, for the principal feature of the problem, i.e., heat exchange between neighbors in the transverse direction. For simplicity, we describe the situation for two layers. Because the layers are identical, uniformly propagating waves in each layer must be identical, independent of the heat exchange rate alpha. When the Zeldovich number Z exceeds a critical value Z(sub c), which depends on alpha, uniformly propagating waves become unstable. The stability diagram for the two coupled layers reproduces that for the full 2D problem after appropriate identification of parameters in the two problems. Depending on parameter values, we determine three different steady-state dynamical behaviors (though additional behaviors are also expected to occur). The three behaviors are: (i) waves in each layer which pulsate in phase as they propagate, so that together they form a single pulsating propagating wave; (ii) the waves in each layer are no longer identical, and antiphase pulsations occur, with the two waves alternately advancing and receding as they propagate. This wave is the analog of the spinning wave on the surface of a circular cylinder; (iii) finally, there is a region of bistability between the in phase and antiphase waves. with each having its own domain of attraction, so that which of the two behaviors occur depends on the condition of initiation of the wave. The results of our computations indicate a qualitative similarity in the behavior of combustion waves in the layer model and in the full 2D model. Specifically, due to the similarity between the small alpha wave behavior in the layer model and the large diameter behavior in the model of waves on the surface of a cylinder, we are able to predict the behavior of the mean velocity for the waves on the cylinder, where computations of the full problem can be rather difficult. We also compute solutions for three or more layers. The results of our computations prompt us to predict that, while planar uniformly propagating waves are unstable, the wave will be quasiplanar, i.e., the resulting spinning waves have very low amplitude hot spots, and travel with the velocity close to that of the uniformly propagating wave. Such waves may be difficult to distinguish from uniformly propagating waves in experiments. We also find that for both the layer model and full 2D problem, steady-state time-dependent waves, e.g., pulsating and spinning wave, have a conserved quantity H which characterizes the excess energy in the wave, just as in the case of uniformly propagating waves. The quantity H, which is generated by dissipation, does not vary in time and is proportional to the diffusivity and caloricity of the system, and inversely proportional to the mean wave velocity.

Aldushin, A. P.↗

A MPET 2 -mPBPK model for subcutaneous injection of biotherapeutics with different molecular weights: From local scale to whole-body scale

Subcutaneous injection of biotherapeutics has attracted considerable attention in the pharmaceutical industry. However, there is limited understanding of the mechanisms underlying the absorption of drugs with different molecular weights and the delivery of drugs from the injection site to the targeted tissue. Here, we propose the MPET 2 -mPBPK model to address this issue. This multiscale model couples the MPET 2 model, which describes subcutaneous injection at the local tissue scale from a biomechanical view, with a post-injection absorption model at injection site and a minimal physiologically-based pharmacokinetic (mPBPK) model at whole-body scale. Utilizing the principles of tissue biomechanics and fluid dynamics, the local MPET 2 model provides solutions that account for tissue deformation and drug absorption in local blood vessels and initial lymphatic vessels during injection. Additionally, we introduce a model accounting for the molecular weight effect on the absorption by blood vessels, and a nonlinear model accounting for the absorption in lymphatic vessels. The post-injection model predicts drug absorption in local blood vessels and initial lymphatic vessels, which are integrated into the whole-body mPBPK model to describe the pharmacokinetic behaviors of the absorbed drug in the circulatory and lymphatic system. We establish a numerical model which links the biomechanical process of subcutaneous injection at local tissue scale and the pharmacokinetic behaviors of injected biotherapeutics at whole-body scale. With the help of the model, we propose an explicit relationship between the reflection coefficient and the molecular weight and predict the bioavalibility of biotherapeutics with varying molecular weights via subcutaneous injection. The considered drug absorption mechanisms enable us to study the differences in local drug absorption and whole-body drug distribution with varying molecular weights. This model enhances the understanding of drug absorption mechanisms and transport routes in the circulatory system for drugs of different molecular weights, and holds the potential to facilitate the application of computational modeling to drug formulation.

59 BASIC BIOLOGICAL SCIENCES↗

Computational fluid dynamic analysis of a novel particle-to-air fluidized-bed heat exchanger for particle-based thermal energy storage applications

Long-duration energy storage technologies are being targeted to enable cost-effective, decarbonized energy systems. Particle-based thermal energy storage systems are one promising technology by storing excess electricity or heat as sensible thermal energy in inexpensive, solid, inert particles. These systems are only possible if an effective and economical particle-to-working fluid heat exchanger exists. This study predicts the performance of a proposed, direct-contact, particle-to-air, pressurized fluidized-bed heat exchanger using computational fluid dynamics. The common Eulerian-Eulerian framework for modeling fluidized beds is first benchmarked to experimental results at a previously untested operating condition and application. Then, the benchmarked model evaluates the performance of a proposed design for a commercial-scale version of the novel particle-to-air heat exchanger. The results show pressure drop and gas-phase approach temperatures are advantageous compared to other proposed designs for particle-to-air heat exchangers in the literature; approach temperatures were less than 5 °C and gas-phase pressure drop across the fluidized bed was 32 kPa. The model also highlights the importance of gas distributor design and representation in the Eulerian-Eulerian framework to control fluidization behavior. In conclusion, the model built and benchmarked in this study can be leveraged to advance the design and analysis of these heat exchangers critical to the deployment of a promising long-duration energy storage technology.

25 ENERGY STORAGE↗

Horizontal Resolution Sensitivity of the Simple Convection-Permitting E3SM Atmosphere Model in a Doubly-Periodic Configuration

We develop a doubly periodic version of the Simple Convection-Permitting E3SM Atmosphere Model (SCREAM) to provide an efficient configuration for this global convection permitting model (GCPM), akin to a single column model often found in conventional general circulation models. The design details are explained, in addition to the extensive case library associated with the doubly periodic SCREAM (DP-SCREAM) configuration. We demonstrate that doubly periodic cloud resolving models are useful tools to explore the horizontal resolution sensitivity of GCPMs, in addition to replicating biases seen in the global models. Using DP-SCREAM, we show that SCREAM exhibits behaviors of a scale aware model as it is able to naturally partition between sub-grid scale (SGS) and resolved vertical transport across the gray zone of turbulence. We show that SCREAM is reasonably scale insensitive when run at resolutions from 1 to 5 km, but can exhibit sensitivity, particularly for the shallow convective regime, when run at resolutions approaching that of large eddy simulations. We conclude that SGS parameterization improvements are likely needed to reduce this scale sensitivity.

54 ENVIRONMENTAL SCIENCES↗

Effects of Photovoltaic Module Materials and Design on Module Deformation Under Load

Quasi-static structural finite-element models of an aluminum-framed crystalline silicon photovoltaic module and a glass-glass thin-film module were constructed and validated against experimental measurements of deflection under uniform pressure loading. Specific practices in the computational representation of module assembly were identified as influential to matching experimental deflection observations. Additionally, parametric analyses using Latin hypercube sampling were performed to propagate input uncertainties related to module materials, dimensions, and tolerances into uncertainties in simulated deflection. Sensitivity analyses were performed on the uncertainty quantification datasets using linear correlation coefficients and variance-based sensitivity indices to elucidate key parameters influencing module deformation. Results identified edge tape and adhesive material properties as being strongly correlated to module deflection, suggesting that optimization of these materials could yield module stiffness gains at par with the conventionally structural parameters, such as glass thickness. This exercise verifies the applicability of finite-element models for accurately predicting mechanical behavior of solar modules and demonstrates a workflow for model-based parametric uncertainty quantification and sensitivity analysis. Finally, applications of this capability include the assessment of field environment loads, derivation of representative loading conditions for reduced-scale testing, and module design optimization, among others.

42 ENGINEERING↗

Battery State of Health Estimator: Cooperative Research and Development Final Report

NREL has developed a software tool to enable Renewance to estimate the degradation of batteries from basic information such as the type of battery and the application of that battery during its first life, so that used batteries may be evaluated for potential repurposing at low cost. This software tool utilizes NREL's BLAST-Lite battery degradation modeling code, which was updated with additional models for commercially produced lithium-ion batteries as a part of this CRADA. The software tool enables users to input details such as battery type and application so that lifetime estimates can be made without any programming or expert battery knowledge. The application input loads in saved values for parameters such as cycles per year, depth-of-discharge, and other battery operating parameters from a file defined by Renewance. These parameters may be modified to refine simulations for specific batteries. The software tool also incorporates a degradation model optimization tool, whereby existing battery degradation models may be tuned according to measured battery health. This ensures that new models still predict degradation behaviors expected from a certain battery chemistry, but with the overall degradation rate tuned to a specific battery make and model. The new model can then be saved for estimating the degradation of other similar batteries. An additional task was planned to utilize machine-learning to enable battery health diagnosis from rapid EIS measurements to accelerate the screening of used batteries. This task was not completed due to lack of available data for training a machine-learning model. CRADA benefit to DOE, Participant, and US Taxpayer: Further development of open-source software tool BLAST-Lite for predicting the lifetime of commercially produced Lithium-ion batteries (NREL SWR-22-69).

25 ENERGY STORAGE↗

Identification of a STOL propulsion plant model from flight data

Accurate dynamic models for propulsion system behavior are critical to successful synthesis of STOL autothrottle/autoland control systems. This paper describes the development of a nonlinear dynamic model for the response of a STOL aircraft in the landing/approach configuration. The model is based upon an analysis of the throttle, governor, and turbofan engine components. Model parameters are directly identified from data acquired during a flight of the NASA Augmentor Wing Jet STOL research aircraft. The accuracy of the model and a comparison of results for two engines are described. Various approaches to modeling propulsion system response for complex systems representative of current and near-term aircraft are discussed.

De Hoff, R. L.↗

Modeling algorithm execution time on processor arrays

An approach to modelling the execution time of algorithms on parallel arrays is presented. This time is expressed as a function of the number of processors and system parameters. The resulting model has been applied to a parallel implementation of the conjugate-gradient algorithm on NASA's FEM. Results of experiments performed to compare the model predictions against actual behavior show that the floating-point arithmetic, communication, and synchronization components of the parallel algorithm execution time were correctly modelled. The results also show that the overhead caused by the interaction of the system software and the actual parallel hardware must be reflected in the model parameters. The model has been used to predict the performance of the conjugate gradient algorithm on a given problem as the number of processors and machine characteristics varied.

Adams, L. M.↗

A model of stratospheric chemistry and transport on an isentropic surface

This paper presents a new photochemical transport model designed to simulate the behavior of stratospheric trace species in the middle stratosphere. The model has an Eulerian grid with the latitude and longitude coordinates on a single isentropic surface (hemispheric or global), in which both the dynamical and the photochemical processes can be accurately represented. The model is intgegrated for 12 days with winds and temperatures supplied by three-dimensional integration of an idealized wavenumber-one disturbance. The results for the long-lived tracers such as N2O showed excellent correlation with the potential vorticity distribution, validating the transport scheme. Calculations with zonally averaged wind and temperature fields showed that discrepancies in the calculation of the zonal mean were less than 10 percent for O3 and HNO3, compared with the zonal mean of the previous results.

Austin, John↗

The dynamics of the HSCT environment

Assessments of the impact of aircraft engine exhausts on stratospheric ozone levels are currently limited to 2D zonally-averaged models which, while completely representing chemistry, involve high parameterization of transport processes. Prospective 3D models under development by NASA-Goddard will use winds from a data-assimilation procedure; the upper troposphere/lower stratosphere behavior of one such model has been verified by direct comparison of model simulations with satellite, balloon, and sonde measurements. Attention is presently given to the stratosphere/troposphere exchange and nonzonal distribution of aircraft engine exhaust.

Douglass, Anne R.↗

Foreign object impact assessment of a high-Mach engine inlet

The paper presents a foreign-object damage (FOD) assessment of the engine inlet region of a high-velocity aircraft design. Of particular interest is the potential for damage to the active cooling system, which is an integral part of the external skin. A variety of impactors is considered, including hailstones, birds, and rocks of various sizes. An explicit finite element solution, which permits detailed modeling of inelastic material behavior and other nonlinearities, is used for the simulations. The paper also discusses some general aspects of foreign object impact modeling and explicit solution techniques.

Thomson, D. E.↗

Two Dimensional Wake Vortex Simulations in the Atmosphere: Preliminary Sensitivity Studies

A numerical large-eddy simulation model is currently being used to quantify aircraft wake vortex behavior with meteorological observables. The model, having a meteorological framework, permits the interaction of wake vortices with environments characterized by crosswind shear, stratification, and humidity. The addition of grid-scale turbulence as an initial condition appeared to have little consequence. Results show that conventional nondimensionalizations work very well for vortex pairs embedded in stably stratified flows. However, this result is based on simple environments with constant Brunt-Vaisala frequency. Results presented here also show that crosswind profiles exert important and complex interactions on the trajectories of wake vortices. Nonlinear crosswind profiles tended to arrest the descent of wake vortex pairs. The member of the vortex pair with vorticity of same sign as the vertical change in the ambient along-track vorticity may be deflected upwards.

Proctor, F. H.↗

GENOA-PFA: Progressive Fracture in Composites Simulated Computationally

GENOA-PFA is a commercial version of the Composite Durability Structural Analysis (CODSTRAN) computer program that simulates the progression of damage ultimately leading to fracture in polymer-matrix-composite (PMC) material structures under various loading and environmental conditions. GENOA-PFA offers several capabilities not available in other programs developed for this purpose, making it preferable for use in analyzing the durability and damage tolerance of complex PMC structures in which the fiber reinforcements occur in two- and three-dimensional weaves and braids. GENOA-PFA implements a progressive-fracture methodology based on the idea that a structure fails when flaws that may initially be small (even microscopic) grow and/or coalesce to a critical dimension where the structure no longer has an adequate safety margin to avoid catastrophic global fracture. Damage is considered to progress through five stages: (1) initiation, (2) growth, (3) accumulation (coalescence of propagating flaws), (4) stable propagation (up to the critical dimension), and (5) unstable or very rapid propagation (beyond the critical dimension) to catastrophic failure. The computational simulation of progressive failure involves formal procedures for identifying the five different stages of damage and for relating the amount of damage at each stage to the overall behavior of the deteriorating structure. In GENOA-PFA, mathematical modeling of the composite physical behavior involves an integration of simulations at multiple, hierarchical scales ranging from the macroscopic (lamina, laminate, and structure) to the microscopic (fiber, matrix, and fiber/matrix interface), as shown in the figure. The code includes algorithms to simulate the progression of damage from various source defects, including (1) through-the-thickness cracks and (2) voids with edge, pocket, internal, or mixed-mode delaminations.

Murthy, Pappu L. N.↗

Using Computational Cognitive Modeling to Diagnose Possible Sources of Aviation Error

We present a computational model of a closed-loop, pilot-aircraft-visual scene-taxiway system created to shed light on possible sources of taxi error. Creating the cognitive aspects of the model using ACT-R required us to conduct studies with subject matter experts to identify experiential adaptations pilots bring to taxiing. Five decision strategies were found, ranging from cognitively-intensive but precise, to fast, frugal but robust. We provide evidence for the model by comparing its behavior to a NASA Ames Research Center simulation of Chicago O'Hare surface operations. Decision horizons were highly variable; the model selected the most accurate strategy given time available. We found a signature in the simulation data of the use of globally robust heuristics to cope with short decision horizons as revealed by errors occurring most frequently at atypical taxiway geometries or clearance routes. These data provided empirical support for the model.

Pilots↗