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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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NASA NTRS1991

On the transport and acceleration of solar flare particles in a coronal loop

The turbulent environment of a flaring solar coronal loop directly affects the population of particles to be accelerated or already accelerated. Under the assumption of a uniform turbulent MHD wave field within the loop, the behavior of a particle distribution as it interacts with the turbulence is discussed, including particle precipitation to the footpoints of the loop and the evolution of the energy distribution as the particles undergo second-order stochastic acceleration. Two cases are discussed in detail: (1) particles spatially diffusing within the loop and precipitating with minimal acceleration in the short time scale of an impulsive event and (2) particles diffusing in both real and momentum space in a long duration event. Collisional losses due to ambient electrons are included. The gamma-ray flare of June 3, 1982 is modeled, and good agreement is obtained between predicted and observed time profiles if the loop length is 100,000 km with an intrinsic spatial diffusion time of 100-450 s. It follows that the production of high-energy neutrons and pi mesons extends over a time scale of 1000 s as observed.

Ryan, James M.↗

NASA NTRS1989

Stochastic acceleration of cometary pickup ions - The classic leaky box model

The acceleration of cometary pickup ions by magnetohydrodynamic waves at P/Giacobini-Zinner is examined in a model where acceleration predominantly occurs downstream of the bow shock throughout the cometosheath where intense magnetic turbulence exists. The mean free path for scattering by the magnetic fluctuations in this region is less than the characteristic dimension of the cometosheath so that pickup ions are rendered isotropic and energized by a modest amount in the process. This principal loss mechanism for the ions is spatial diffusion out of the acceleration region moderated by the self-same accelerating waves. This particular feature constrains the model in a way that the predicted ion spectrum is uniquely determined by the power spectrum of the magnetic turbulence. At both P/Giacobini-Zinner and P/Halley, the turbulence is non-Kolmogoroff with a spectral index of 2 resulting in an ion spectral behavior that is approximately an exponential in ion speed, consistent with a recent analysis of the Giacobini-Zinner data (see Richardson et al.).

Barbosa, D. D.↗

DOE OSTI2021

Closures and Simulation for Thermal Radiation Transport in Stochastic Media with Nonlinear Temperature Dependence

Because of the practical challenge of rendering very complex realistic spatial structures for numerical work, it is common practice to resort to characterizing such media as stochastic mixtures of materials, ideally parametrized with low order statistics such as the mean, variance, and correlation functions of the now random material properties. This enables realizations of the medium to be repeatedly generated and radiation transport computations to, in principle, be performed for a large ensemble of these realizations to obtain a statistically well-characterized radiation field. Statistical post-processing yields desired quantities such as conditional and unconditional mean radiation flux and probability distributions of transmitted radiation. However, such computations prove expensive for all but the simplest stochastic geometries and are most suited for benchmarking approximate models. The most common approximations lead to homogenized media so that transport computations are required only on a single medium realization but by construct provide only limited statistical information on the radiation field. Almost all approximate approaches to this problem attempt to develop equations for low order moments of the radiation intensity (mean, second moment, correlation function) but inevitably encounter a closure problem: the equation for any statistical moment will contain terms depending on unknown higher-order moments. Thus, the challenge shifts to one of developing closure relations that relate the unknown moments to the lower order moments. Under very special conditions, an exact closure can be derived but in general closures are heuristically stated constitutive relations. Also, closure approaches depend on whether the mixing statistics are spatially and/or temporally continuous as in fluctuating turbulent fields, or discontinuous as in randomly mixed solid chunks of material. Thus, unconditional averaging is generally applied in the former case but conditional averaging is more appropriate when the mixing is discontinuous. In this work, the emphasis is on binary statistical mixtures of immiscible fluids as as such the quantities of interest are averages (flux, temperature) conditioned on the material type.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Unveiling mesoscopic structures in distorted lamellar phases through deep learning-based small angle neutron scattering analysis

Hypothesis: The formation of distorted lamellar phases, distinguished by their arrangement of crumpled, stacked layers, is frequently accompanied by the disruption of long-range order, leading to the formation of interconnected network structures commonly observed in the sponge phase. Nevertheless, traditional scattering functions grounded in deterministic modeling fall short of fully representing these intricate structural characteristics. Our hypothesis posits that a deep learning method, in conjunction with the generalized leveled wave approach used for describing structural features of distorted lamellar phases, can quantitatively unveil the inherent spatial correlations within these phases. Experiments and Simulations: This report outlines a novel strategy that integrates convolutional neural networks and variational autoencoders, supported by stochastically generated density fluctuations, into a regression analysis framework for extracting structural features of distorted lamellar phases from small angle neutron scattering data. To evaluate the efficacy of our proposed approach, we conducted computational accuracy assessments and applied it to the analysis of experimentally measured small angle neutron scattering spectra of AOT surfactant solutions, a frequently studied lamellar system. Findings: The findings unambiguously demonstrate that deep learning provides a dependable and quantitative approach for investigating the morphology of wide variations of distorted lamellar phases. It is adaptable for deciphering structures from the lamellar to sponge phase including intermediate structures exhibiting fused topological features. In conclusion, this research highlights the effectiveness of deep learning methods in tackling complex issues in the field of soft matter structural analysis and beyond.

36 MATERIALS SCIENCE↗

NASA NTRS1988

Probabilistic structural analysis computer code (NESSUS)

Probabilistic structural analysis has been developed to analyze the effects of fluctuating loads, variable material properties, and uncertain analytical models especially for high performance structures such as SSME turbopump blades. The computer code NESSUS (Numerical Evaluation of Stochastic Structure Under Stress) was developed to serve as a primary computation tool for the characterization of the probabilistic structural response due to the stochastic environments by statistical description. The code consists of three major modules NESSUS/PRE, NESSUS/FEM, and NESSUS/FPI. NESSUS/PRE is a preprocessor which decomposes the spatially correlated random variables into a set of uncorrelated random variables using a modal analysis method. NESSUS/FEM is a finite element module which provides structural sensitivities to all the random variables considered. NESSUS/FPI is Fast Probability Integration method by which a cumulative distribution function or a probability density function is calculated.

Shiao, Michael C.↗

DOE OSTI2023

Dynamic scaling of order parameter fluctuations in model B

Brookhaven National Laboratory has performed a dedicated set of experiments, called the Beam Energy Scan (BES), with the goal of location a possible critical point in the phase diagram of nuclear matter, This point is analogous to the endpoint of the liquid-gas phase transition in water, where the liquid phase corresponds to a phase of hadrons, and the gas phase to a plasma of quarks and gluons. In order to describe the data generated by these experiments we have studied numerical simulations of the stochastic diffusion equation with a conserved charge. Here, we focus on the dynamics in the vicinity of a critical point in the Ising universality class. The model we consider is expected to describe the critical dynamics near a possible QCD critical point if the coupling of the order parameter to the momentum density of the fluid can be neglected. The simulations are performed on a spatial lattice, and the time evolution is performed using a Metropolis algorithm. We determine the dynamical critical exponent z ≃ 3.972(2), which agrees with predictions of the epsilon expansion. We also study non-equilibrium sweeps of the reduced temperature and observe approximate Kibble-Zurek scaling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2011

Mesh-Based Entry Vehicle and Explosive Debris Re-Contact Probability Modeling

The risk to a crewed vehicle arising from potential re-contact with fragments from an explosive breakup of any jettisoned spacecraft segments during entry has long sought to be quantified. However, great difficulty lies in efficiently capturing the potential locations of each fragment and their collective threat to the vehicle. The method presented in this paper addresses this problem by using a stochastic approach that discretizes simulated debris pieces into volumetric cells, and then assesses strike probabilities accordingly. Combining spatial debris density and relative velocity between the debris and the entry vehicle, the strike probability can be calculated from the integral of the debris flux inside each cell over time. Using this technique it is possible to assess the risk to an entry vehicle along an entire trajectory as it separates from the jettisoned segment. By decoupling the fragment trajectories from that of the entry vehicle, multiple potential separation maneuvers can then be evaluated rapidly to provide an assessment of the best strategy to mitigate the re-contact risk.

McPherson, Mark A.↗

NASA NTRSDate not supplied

Simulation of Radiation-Induced DNA Damage With the Code RITRACKS

INTRODUCTION DNA damage is one of the most physiologically important effects of ionizing radiation. Clustered DNA damage events, like double-strand breaks (DSBs), have the most notable biological consequences. DNA damage types depend on both the track structure of the radiation and the spatial organization of the DNA. High linear energy transfer (LET) charged nuclei, found in galactic cosmic rays (GCR), are known to produce large numbers of complex DNA damage events. The human genome is packaged into chromatin, which can take on locus-dependent and cell type-dependent spatial conformations that correspond to epigenetic states, such as more open, extended structures in transcriptionally active chromatin. These epigenetic differences can affect DNA break patterns in response to ionizing radiation, potentially creating distinct DNA repair and signaling outcomes across the genome in different cells. MATERIAL AND METHODS The code RITRACKS (Relativistic Ion Tracks), which simulates stochastic radiation track structures and radiation chemistry, was used to model damage on isolated and histone-bound DNA by various types of ions and photons. The changes made to the code to perform radiation-induced DNA damage, and simulation results on single nucleosomes are given in our recent paper. In this work, the DNA building capabilities of RITRACKS have been extended to simulate more complex DNA structures build on the coarse-grain simulation framework meso-WLCsim. This code can sample generic chromatin fiber conformation ensembles based on the geometry of nucleosomes and mechanical properties of DNA. Using RITRACKS, we simulated the fragment length distributions (FLD) of irradiated DNA structures built using the chromatin conformations of WLCsim and obtained results representative of those obtained with Radiation-Induced Correlated Cleavage with sequencing (RICC-Seq) experiments [6]. We have also performed Fe ion and photon irradiations of K562, IMR90, BJ and RPE-1 cells at NSRL to experimentally validate results. Sample processing and data analysis are in progress and any available preliminary results will be discussed. DISCUSSION The recent updates in the code RITRACKS allow the calculation of several quantities such as the DNA damage yield and the FLD. This approach can be used to model epigenetic state-specific chromatin structure parameters to leverage the epigenetic state data available for many human cell types to infer relative DNA damage sensitivity among genomic loci.

I Plante↗

NASA NTRS2016

Uncertainty Assessment of the NASA Earth Exchange Global Daily Downscaled Climate Projections (NEX-GDDP) Dataset

The NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) dataset is comprised of downscaled climate projections that are derived from 21 General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 5 (CMIP5) and across two of the four greenhouse gas emissions scenarios (RCP4.5 and RCP8.5). Each of the climate projections includes daily maximum temperature, minimum temperature, and precipitation for the periods from 1950 through 2100 and the spatial resolution is 0.25 degrees (approximately 25 km by 25 km). The GDDP dataset has received warm welcome from the science community in conducting studies of climate change impacts at local to regional scales, but a comprehensive evaluation of its uncertainties is still missing. In this study, we apply the Perfect Model Experiment framework (Dixon et al. 2016) to quantify the key sources of uncertainties from the observational baseline dataset, the downscaling algorithm, and some intrinsic assumptions (e.g., the stationary assumption) inherent to the statistical downscaling techniques. We developed a set of metrics to evaluate downscaling errors resulted from bias-correction ("quantile-mapping"), spatial disaggregation, as well as the temporal-spatial non-stationarity of climate variability. Our results highlight the spatial disaggregation (or interpolation) errors, which dominate the overall uncertainties of the GDDP dataset, especially over heterogeneous and complex terrains (e.g., mountains and coastal area). In comparison, the temporal errors in the GDDP dataset tend to be more constrained. Our results also indicate that the downscaled daily precipitation also has relatively larger uncertainties than the temperature fields, reflecting the rather stochastic nature of precipitation in space. Therefore, our results provide insights in improving statistical downscaling algorithms and products in the future.

general circulation model (GCM)↗

NASA NTRS1986

Spatial modelling of total storm rainfall

The spatial structure of the depth of rainfall from a stationary storm event is investigated by using point process techniques. Cells are assumed to be stationary and to be distributed in space either independently according to a Poisson process, or with clustering according to a Neyman-Scott scheme. Total storm rainfall at the centre of each cell is a random variable and rainfall is distributed around the centre in a way specified by a spread function that may incorporate random parameters. The mean, variance and covariance structure of the precipitation depth at a point are obtained for different spread functions. For exponentially distributed centre depth and a spread function having quadratically exponential decay, the total storm depth at any point in the field is shown to have a gamma distribution. The probability of zero rainfall at a point is investigated, as is the stochastic variability of model parameters from storm to storm. Data from the Upper Rio Guaire basin in Venezuela are used in illustration.

Rodriguez-Iturbe, I.↗

NASA NTRS2021

Romie: A Domain-Independent Tool for Computer-Aided Robust Operations Management

Romie is a decision support tool based on AI's latest advances in the domain of robust scheduling. Unlike all its predecessors, the tool allows to (i) visually model the operational problem and context entirely (ii) optimize to find near-optimal schedules while taking uncertainty into account and deals with (iii) a combination of various {key performance indicators (KPIs). It comes with a web user interface. Part or all of the modelled activities may be associated to random variables describing their stochastic durations, in order to produce schedules that are robust w.r.t. temporal uncertainty. Hence, depending on the pursued KPIs, the schedules maximize a combination of the following terms: the probability of satisfying the problem constraints, the expected return/efficiency, the expected outcome quality, and even the operators' wellness by minimizing its expected extra-hours. Initially developed for spatial exploration and demonstration in the context of Mars analog missions, this versatile tool is here applied to operations management in both biotechnology manufacturing and robots parametrization in a cave exploration context.

Chien, Steve A.↗

NASA NTRS2014

A Multiscale Progressive Failure Modeling Methodology for Composites that Includes Fiber Strength Stochastics

A multiscale modeling methodology was developed for continuous fiber composites that incorporates a statistical distribution of fiber strengths into coupled multiscale micromechanics/finite element (FE) analyses. A modified two-parameter Weibull cumulative distribution function, which accounts for the effect of fiber length on the probability of failure, was used to characterize the statistical distribution of fiber strengths. A parametric study using the NASA Micromechanics Analysis Code with the Generalized Method of Cells (MAC/GMC) was performed to assess the effect of variable fiber strengths on local composite failure within a repeating unit cell (RUC) and subsequent global failure. The NASA code FEAMAC and the ABAQUS finite element solver were used to analyze the progressive failure of a unidirectional SCS-6/TIMETAL 21S metal matrix composite tensile dogbone specimen at 650 degC. Multiscale progressive failure analyses were performed to quantify the effect of spatially varying fiber strengths on the RUC-averaged and global stress-strain responses and failure. The ultimate composite strengths and distribution of failure locations (predominately within the gage section) reasonably matched the experimentally observed failure behavior. The predicted composite failure behavior suggests that use of macroscale models that exploit global geometric symmetries are inappropriate for cases where the actual distribution of local fiber strengths displays no such symmetries. This issue has not received much attention in the literature. Moreover, the model discretization at a specific length scale can have a profound effect on the computational costs associated with multiscale simulations.models that yield accurate yet tractable results.

Generalized Method of Cells↗

NASA NTRS2016

Uncertainty Assessment of the NASA Earth Exchange Global Daily Downscaled Climate Projections (NEX-GDDP) Dataset

The NASA Earth Exchange Global Daily Downscaled Projections (NEX-GDDP) dataset is comprised of downscaled climate projections that are derived from 21 General Circulation Model (GCM) runs conducted under the Coupled Model Intercomparison Project Phase 5 (CMIP5) and across two of the four greenhouse gas emissions scenarios (RCP4.5 and RCP8.5). Each of the climate projections includes daily maximum temperature, minimum temperature, and precipitation for the periods from 1950 through 2100 and the spatial resolution is 0.25 degrees (approximately 25 km x 25 km). The GDDP dataset has received warm welcome from the science community in conducting studies of climate change impacts at local to regional scales, but a comprehensive evaluation of its uncertainties is still missing. In this study, we apply the Perfect Model Experiment framework (Dixon et al. 2016) to quantify the key sources of uncertainties from the observational baseline dataset, the downscaling algorithm, and some intrinsic assumptions (e.g., the stationary assumption) inherent to the statistical downscaling techniques. We developed a set of metrics to evaluate downscaling errors resulted from bias-correction ("quantile-mapping"), spatial disaggregation, as well as the temporal-spatial non-stationarity of climate variability. Our results highlight the spatial disaggregation (or interpolation) errors, which dominate the overall uncertainties of the GDDP dataset, especially over heterogeneous and complex terrains (e.g., mountains and coastal area). In comparison, the temporal errors in the GDDP dataset tend to be more constrained. Our results also indicate that the downscaled daily precipitation also has relatively larger uncertainties than the temperature fields, reflecting the rather stochastic nature of precipitation in space. Therefore, our results provide insights in improving statistical downscaling algorithms and products in the future.

climate projection↗

DOE OSTI2020

Integration of Soft Data Into Geostatistical Simulation of Categorical Variables

Uncertain or indirect “soft” data, such as geologic interpretation, driller’s logs, geophysical logs or imaging, offer potential constraints or “soft conditioning” to stochastic models of discrete categorical subsurface variables in hydrogeology such as hydrofacies. Previous bivariate geostatistical simulation algorithms have not fully addressed the impact of data uncertainty in formulation of the (co) kriging equations and the objective function in simulated annealing (or quenching). This paper introduces the geostatistical simulation code tsim-s, which accounts for categorical data uncertainty through a data “hardness” parameter. In generating geostatistical realizations with tsim-s, the uncertainty inherent to soft conditioning is factored into both 1) the data declustering and spatial correlation functions in cokriging and 2) the acceptance probability for change of category in simulated quenching. The degree or sensitivity to which soft data conditions a realization as a function of hardness can be quantified by mapping category probabilities derived from multiple realizations. In addition to point or borehole data, arrays of data (e.g., as derived from a depth-dependency function, probability map, or “prior realization”) can be used as soft conditioning. The tsim-s algorithm provides a theoretically sound and general framework for integrating datasets of variable location, resolution, and uncertainty into geostatistical simulation of categorical variables. A practical example shows how tsim-s is capable of generating a large-scale three-dimensional simulation including curvilinear features.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Route Optimization for Energy Efficient Airport Shuttle Operations - A Case Study from Dallas Fort Worth International Airport

Air travel and requisite surface traffic supporting passenger arrival/departure constitutes a significant portion of travel and emissions in cities with large airports. An airport trip can segment into three parts namely: i) travel from a location in the city to the airport; ii) travel from a parking lot or rental car center to the terminal (i.e., within the airport premises), and iii) travel inside the terminal. Depending on the airport access mode all or a part of these legs comprise a traveler’s journey to the airport. The priority of airport ground transport management teams is to provide passengers with a seamless travel experience within the airport, so it is understandable that within airport shuttle routes might not be optimized for minimizing energy consumption. Solutions that meet the dual objective of reducing energy consumption from airport shuttle operations without compromising on passenger travel experience are key to improving system efficiency. There is currently a dearth of research and tools that can inform airports in making such decisions. Addressing this need, this research effort puts forth an optimization model that generates optimal shuttle routes for a given set of constraints, and a discrete-event simulator that evaluates the optimal solutions in a stochastic environment to understand the tradeoffs between passenger wait times, and within airport shuttle energy consumption. The proposed set of tools are tested in the context of optimizing airport shuttles routes within the Dallas Fort Worth International Airport (DFW). In addition to shuttle spatial positioning, and passenger demand information, high-fidelity vehicle data was collected using data loggers installed on DFW shuttles. Results show that 20% energy reduction in shuttle operations is possible with a modest two-minute increase in average passenger wait times. The tools developed in this research effort are designed to be generalizable and can help optimize shuttle operations planning at any major airport.

air travel↗

DOE OSTI2021

Space-Time Reduced-Order Modeling for Uncertainty Quantification

This work focuses on the space-time reduced-order modeling (ROM) method for solving large-scale uncertainty quantification (UQ) problems with multiple random coefficients. In contrast with the traditional space ROM approach, which performs dimension reduction in the spatial dimension, the space-time ROM approach performs dimension reduction on both the spatial and temporal domains, and thus enables accurate approximate solutions at a low cost. We incorporate the space-time ROM strategy with various classical stochastic UQ propagation methods such as stochastic Galerkin and Monte Carlo. Numerical results demonstrate that our methodology has significant computational advantages compared to state-of-the-art ROM approaches. By testing the approximation errors, we show that there is no obvious loss of simulation accuracy for space-time ROM given its high computational efficiency.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Implicit learning of convective organization explains precipitation stochasticity

Accurate prediction of precipitation intensity is crucial for both human and natural systems, especially in a warming climate more prone to extreme precipitation. Yet, climate models fail to accurately predict precipitation intensity, particularly extremes. One missing piece of information in traditional climate model parameterizations is subgrid-scale cloud structure and organization, which affects precipitation intensity and stochasticity at coarse resolution. Here, using global storm-resolving simulations and machine learning, we show that, by implicitly learning subgrid organization, we can accurately predict precipitation variability and stochasticity with a low-dimensional set of latent variables. Using a neural network to parameterize coarse-grained precipitation, we find that the overall behavior of precipitation is reasonably predictable using large-scale quantities only; however, the neural network cannot predict the variability of precipitation (R 2 ~ 0.45) and underestimates precipitation extremes. The performance is significantly improved when the network is informed by our organization metric, correctly predicting precipitation extremes and spatial variability (R 2 ~ 0.9). The organization metric is implicitly learned by training the algorithm on a high-resolution precipitable water field, encoding the degree of subgrid organization. The organization metric shows large hysteresis, emphasizing the role of memory created by subgrid-scale structures. We demonstrate that this organization metric can be predicted as a simple memory process from information available at the previous time steps. These findings stress the role of organization and memory in accurate prediction of precipitation intensity and extremes and the necessity of parameterizing subgrid-scale convective organization in climate models to better project future changes of water cycle and extremes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2000

A polymer, random walk model for the size-distribution of large DNA fragments after high linear energy transfer radiation

DNA double-strand breaks (DSBs) produced by densely ionizing radiation are not located randomly in the genome: recent data indicate DSB clustering along chromosomes. Stochastic DSB clustering at large scales, from > 100 Mbp down to < 0.01 Mbp, is modeled using computer simulations and analytic equations. A random-walk, coarse-grained polymer model for chromatin is combined with a simple track structure model in Monte Carlo software called DNAbreak and is applied to data on alpha-particle irradiation of V-79 cells. The chromatin model neglects molecular details but systematically incorporates an increase in average spatial separation between two DNA loci as the number of base-pairs between the loci increases. Fragment-size distributions obtained using DNAbreak match data on large fragments about as well as distributions previously obtained with a less mechanistic approach. Dose-response relations, linear at small doses of high linear energy transfer (LET) radiation, are obtained. They are found to be non-linear when the dose becomes so large that there is a significant probability of overlapping or close juxtaposition, along one chromosome, for different DSB clusters from different tracks. The non-linearity is more evident for large fragments than for small. The DNAbreak results furnish an example of the RLC (randomly located clusters) analytic formalism, which generalizes the broken-stick fragment-size distribution of the random-breakage model that is often applied to low-LET data.

DNA/radiation effects↗