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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A review of methods for the reconstruction and analysis of integrated genome-scale models of metabolism and regulation

The current survey aims to describe the main methodologies for extending the reconstruction and analysis of genome-scale metabolic models and phenotype simulation with Flux Balance Analysis mathematical frameworks, via the integration of Transcriptional Regulatory Networks and/or gene expression data. Although the surveyed methods are aimed at improving phenotype simulations obtained from these models, the perspective of reconstructing integrated genome-scale models of metabolism and gene expression for diverse prokaryotes is still an open challenge.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

On the rejection-based algorithm for simulation and analysis of large-scale reaction networks

Stochastic simulation for in silico studies of large biochemical networks requires a great amount of computational time. We recently proposed a new exact simulation algorithm, called the rejection-based stochastic simulation algorithm (RSSA) [Thanh et al., J. Chem. Phys. 141(13), 134116 (2014)], to improve simulation performance by postponing and collapsing as much as possible the propensity updates. In this paper, we analyze the performance of this algorithm in detail, and improve it for simulating large-scale biochemical reaction networks. We also present a new algorithm, called simultaneous RSSA (SRSSA), which generates many independent trajectories simultaneously for the analysis of the biochemical behavior. SRSSA improves simulation performance by utilizing a single data structure across simulations to select reaction firings and forming trajectories. The memory requirement for building and storing the data structure is thus independent of the number of trajectories. The updating of the data structure when needed is performed collectively in a single operation across the simulations. The trajectories generated by SRSSA are exact and independent of each other by exploiting the rejection-based mechanism. We test our new improvement on real biological systems with a wide range of reaction networks to demonstrate its applicability and efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

EVs@Scale NextGen Profiles: High Level Analysis and Procedures Report

As part of the U.S. DOE EVs@Scale consortium, the NextGen Profiles (NGP) project presents analysis and results from the study of High Power Charging Electric Vehicles and Battery Charging Infrastructure. High Power Charging equipment is capable of recharging electric vehicle traction batteries at power levels of 200KW and above. The NextGen Profiles project has three pillars of investigation: Electric Vehicle Charging Profile Capture, Electric Vehicle Service Equipment Performance Characterization and Fleet Utilization analysis. All NextGen Profiles project testing was conducted under test conditions that comprise a diverse range of realistic real-world operating conditions including nominal conditions that should transfer the maximum allowable energy in the minimum time possible and off-nominal conditions that typify charging performance under suboptimal charging conditions. Results from 13 unique EVs, eight EVSEs and four electrified fleets are included in the NextGen Profiles project analysis.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Multi-Scale Lithofacies and Chemostratigraphic Analysis of Two Middle Devonian Marcellus Shale Wells in Northern West Virginia, USA

The Marcellus Shale Energy and Environmental Laboratory (MSEEL) consists of two project areas within the dry gas producing region of the Marcellus shale play in Monongalia County, West Virginia. MSEEL is a collaborative field project led by West Virginia University, with Northeast Natural Energy LLC, several industrial partners, and sponsored by the US Department of Energy National Energy Technology Laboratory. The study areas are drilled approximately 8.5 miles apart to better understand the vertical and lateral changes in stratigraphy over a short distance. Two vertical pilot wells, MIP-3H and Boggess 17H were drilled in the fall of 2015 and spring of 2019, respectively. Core was recovered from the MIP-3H (API: 47-061-01707-00-00) 112 feet (34m) between depths of 7445 to 7557 feet, and from the Boggess 17H (API: 47-061-01812-00-00) 139 feet (42m) between depths of 7908 and 8012 ft. A full suite of triple combo (gamma ray, neutron, density logs), image logs, and advanced logging tools were run in both wells and calibrated to core analysis. Core analysis includes medical computed tomography (CT) scans, mineralogy and chemostratigraphy determined from handheld X-Ray fluorescence (hhXRF) and X-Ray powder diffraction (XRD) measurements, and determination of total organic content (TOC). Lithofacies were determined at core-scale using traditional core description techniques and medical CT-scan images. Log-scale facies are based on mineralogy and TOC data and developed using petrophysical logging data calibrated to core data (XRD and pyrolysis data). Chemostratigraphic analysis utilized hhXRF data to determine the major and trace element trends in the cores. In the two wells six shale lithofacies were recognized at the core and log scale. Both wells show organic-rich facies (TOC > 6.5%) primarily in the middle and lower Marcellus, with a slight decrease in thickness of this interval in the Boggess 17H. This interval is interpreted as an increase in paleo-productivity (increased Ni, Zn, and V), decreased sedimentation (decreased detrital proxies), and anoxic to euxinic conditions (increased Mo and chalcophile elements). Paleo-redox conditions in both wells are dynamic throughout deposition transitioning between euxinic/anoxic to dysoxic/oxic. This trend is seen through elemental proxies and calcite/pyrite concretion distributions.

03 NATURAL GAS↗
DOE OSTI2019

The Trillion Pixel GeoAI Challenge Workshop

Rapid innovations in satellite and airborne remote sensing capabilities holds the promise of collecting high-resolution imagery with daily, even hourly cadence across the entire planet. Availability of such earth observation data streams at varying spatial and temporal scales, coupled with astonishing progress in AI and transformational advances in high performance computing bring into view the possibility of mapping and interpreting the surface of our planet at unprecedented detail. The implications of such capability for science, technology, policy, and security are far reaching. Moreover, even at a modest 5m resolution, 100 trillion pixels will describe the surface of the Earth every day. Consequently, monitoring the pulse of our planet will entail collecting, refining, analyzing, and curating those 100 trillion pixels within a 24-hour period. That is a challenge with unknown solutions as of today’s advances and therefore serves as a key motivation for this workshop. The GEOINT and AI communities have a unique opportunity to enable detailed monitoring the pulse of our planet and obtain new insights into how humans occupy, interact with, and alter the surface of the Earth over time. From a science and technology standpoint, this is a modern-day moonshot that presents numerous challenges particularly related to scaling the analysis to every pixel covering the planet. The challenge of making sense of all these pixels in a timely fashion include image processing at scale, selective analysis of only the pixels that matter, generalizing AI models across heterogeneous locations, computing on hardware that is memory constrained, and deploying automated feature extraction on edge devices. The designing of capable GeoAI workflows and data pipelines will require interdisciplinary efforts and partnerships. The Trillion Pixel Challenge for GeoAI workshop was is promoted as a first community effort to discuss priority research and development directions and to establish the partnerships and collaborations needed to make progress on critical scientific and operational applications from local to regional to planet scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Photoabsorption Imaging at Nanometer Scales Using Secondary Electron Analysis

Optical imaging with nanometer resolution offers fundamental insights into light–matter interactions. Traditional optical techniques are diffraction limited with a spatial resolution >100 nm. Optical super-resolution and cathodoluminescence techniques have higher spatial resolutions, but these approaches require the sample to fluoresce, which many materials lack. Here, we introduce photoabsorption microscopy using electron analysis, which involves spectrally specific photoabsorption that is locally probed using a scanning electron microscope, whereby a photoabsorption-induced surface photovoltage modulates the secondary electron emission. We demonstrate spectrally specific photoabsorption imaging with sub-20 nm spatial resolution using silicon, germanium, and gold nanoparticles. Theoretical analysis and Monte Carlo simulations are used to explain the basic trends of the photoabsorption-induced secondary electron signal. Based on our current experiments and this analysis, we expect that the spatial resolution can be further improved to a few nanometers, thereby offering a general approach for nanometer-scale optical spectroscopic imaging and material characterization.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Noise analysis of genome-scale protein synthesis using a discrete computational model of translation

Noise in genetic networks has been the subject of extensive experimental and computational studies. However, very few of these studies have considered noise properties using mechanistic models that account for the discrete movement of ribosomes and RNA polymerases along their corresponding templates (messenger RNA (mRNA) and DNA). The large size of these systems, which scales with the number of genes, mRNA copies, codons per mRNA, and ribosomes, is responsible for some of the challenges. Additionally, one should be able to describe the dynamics of ribosome exchange between the free ribosome pool and those bound to mRNAs, as well as how mRNA species compete for ribosomes. We developed an efficient algorithm for stochastic simulations that addresses these issues and used it to study the contribution and trade-offs of noise to translation properties (rates, time delays, and rate-limiting steps). The algorithm scales linearly with the number of mRNA copies, which allowed us to study the importance of genome-scale competition between mRNAs for the same ribosomes. We determined that noise is minimized under conditions maximizing the specific synthesis rate. Moreover, sensitivity analysis of the stochastic system revealed the importance of the elongation rate in the resultant noise, whereas the translation initiation rate constant was more closely related to the average protein synthesis rate. We observed significant differences between our results and the noise properties of the most commonly used translation models. Overall, our studies demonstrate that the use of full mechanistic models is essential for the study of noise in translation and transcription.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Application of a High-Fidelity Icing Analysis Method to a Model-Scale Rotor in Forward Flight

An icing analysis process involving the loose coupling of OVERFLOW-RCAS for rotor performance prediction and with LEWICE3D for thermal analysis and ice accretion is applied to a model-scale rotor for validation. The process offers high-fidelity rotor analysis for the noniced and iced rotor performance evaluation that accounts for the interaction of nonlinear aerodynamics with blade elastic deformations. Ice accumulation prediction also involves loosely coupled data exchanges between OVERFLOW and LEWICE3D to produce accurate ice shapes. Validation of the process uses data collected in the 1993 icing test involving Sikorsky's Powered Force Model. Non-iced and iced rotor performance predictions are compared to experimental measurements as are predicted ice shapes.

Narducci, Robert↗
DOE OSTI2014

A Report on Simulation-Driven Reliability and Failure Analysis of Large-Scale Storage Systems

High-performance computing (HPC) storage systems provide data availability and reliability using various hardware and software fault tolerance techniques. Usually, reliability and availability are calculated at the subsystem or component level using limited metrics such as, mean time to failure (MTTF) or mean time to data loss (MTTDL). This often means settling on simple and disconnected failure models (such as exponential failure rate) to achieve tractable and close-formed solutions. However, such models have been shown to be insufficient in assessing end-to-end storage system reliability and availability. We propose a generic simulation framework aimed at analyzing the reliability and availability of storage systems at scale, and investigating what-if scenarios. The framework is designed for an end-to-end storage system, accommodating the various components and subsystems, their interconnections, failure patterns and propagation, and performs dependency analysis to capture a wide-range of failure cases. We evaluate the framework against a large-scale storage system that is in production and analyze its failure projections toward and beyond the end of lifecycle. We also examine the potential operational impact by studying how different types of components affect the overall system reliability and availability, and present the preliminary results

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

A Priori Analysis of Subgrid-Scale Models for Large Eddy Simulations of Supercritical Binary-Species Mixing Layers

Models for large eddy simulation (LES) are assessed on a database obtained from direct numerical simulations (DNS) of supercritical binary-species temporal mixing layers. The analysis is performed at the DNS transitional states for heptane/nitrogen, oxygen/hydrogen and oxygen/helium mixing layers. The incorporation of simplifying assumptions that are validated on the DNS database leads to a set of LES equations that requires only models for the subgrid scale (SGS) fluxes, which arise from filtering the convective terms in the DNS equations. Constant-coefficient versions of three different models for the SGS fluxes are assessed and calibrated. The Smagorinsky SGS-flux model shows poor correlations with the SGS fluxes, while the Gradient and Similarity models have high correlations, as well as good quantitative agreement with the SGS fluxes when the calibrated coefficients are used.

turbulence↗
DOE OSTI2021

An extended numerical manifold method for unsaturated soil-water interaction analysis at micro-scale

To investigate unsaturated soil-water interaction at micro-scale, this work extends the numerical manifold method (NMM) by incorporating a soil-water coupling model considering specific capillary water distribution and capillary force calculation. The soil skeleton is constructed by a soil skeleton generation algorithm with random polygons. To more realistically capture the interaction between soil grains and capillary water, a capillary mechanics-based geometric algorithm is proposed to iteratively calculate the capillary water distribution. The capillary forces corresponding to the capillary water distribution are calculated based on the Young-Laplace equation. The proposed capillary water solving framework is first verified by reproducing the soil-water characteristic curve and the capillary water distribution of an ideal contact-disk model against analytical solutions. To further validate the ability of the capillary water solving framework to predict hydraulic behavior of the real soil, a laboratory test on the Toyoura sand is reproduced numerically. Then an ideal direct shear test is performed to further validate the two-way soil-water coupling procedure, in which a comparison between the numerical and analytical results regarding the shear strength and matric suction is presented. Finally, microscopic hydraulic and compression tests are conducted on two soil specimens with the same porosity and mean grain diameter but different uniformity coefficients. The results elucidate that the extended method is a potential tool to explore unsaturated soil behaviors at micro-scale.

58 GEOSCIENCES↗
DOE OSTI2021

LX-17 Thermal Decomposition-Characterization of Solid Residues from Cook-Off in a Small-Scale Vessel Under Confinement

Concerns surround whether insensitive (or any) energetic materials are more dangerous to handle when exposed to abnormal thermal environments. This study characterizes the residual material remaining after LX-17 (92.5 % 1,3,5-triamino 2,4,6-trinitro benzene (TATB) and 7.5 % Kel-F) is exposed to various thermal environments in a sealed small-scale vessel cook-off test reactor (heated at 0.1 to 100 °C/min until the reactor opened at 3000 psi (20.7 MPa)). Previous work has shown no additional sensitivity of these residues as evaluated by small-scale safety analysis, but characterization on the molecular scale indicates the TATB is transformed to more reactive compounds as well as the residue could be precursors to toxic gases. The solids and chars were characterized by various analytical methods. Heat-flow measurements indicated exothermic release is due to a mixture of residual TATB and related decomposition products (which may be more energetic). The N/C and O/N ratios indicated a material much more degraded than TATB. Primarily, the solids were a network of amorphous C inter-dispersed with N and O. Types of bonding include C–C, C–N, N–H, N–C, N=C, N≡C, C–O=, and –OH. Solvent extracts of the solids showed TATB decomposition intermediates benzo-furazans and benzo-furoxans, substituted TATB (mono-nitroso, hydroxyl, and chlorinated) along with several unidentified smaller molecules. These results indicate thermal treatment produces an amorphous carbon residue with heteroatoms incorporated through differing functionality, varying depending upon the thermal severity of exposure. These structures also could further decompose producing toxic light gases (such as cyanide).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

The VAST Challenge: History, Scope, and Outcomes: An introduction to the Special Issue

Visual analytics aims to facilitate human insight from complex data via a combination of visual representations, interaction techniques, and supporting algorithms. To create new tools and techniques that achieve this goal requires that researchers have an understanding of analytical questions to be addressed, data that illustrates the complexities and ambiguities found in realistic analytic settings, and methods for evaluating whether the plausible insights are gained through use of the new methods. However, researchers do not, generally speaking, have access to analysts who can articulate their problems or operational data that is used for analysis. To fill this gap, the Visual Analytics Science and Technology (VAST) Challenge has been held annually since 2006. The VAST Challenge provides an opportunity for researchers to experiment with realistic but not real problems, using realistic synthetic data with known events embedded. Since its inception, the VAST Challenge has evolved along with the visual analytics research community to pose more complex challenges, ranging from text analysis to video analysis to large scale network log analysis. The seven years of the VAST Challenge have seen advancements in research and development, education, evaluation, and in the challenge process itself. This special issue of Information Visualization highlights some of the noteworthy advancements in each of these areas. Some of these papers focus on important research questions related to the challenge itself, and other papers focus on innovative research that has been shaped by participation in the challenge. This paper describes the VAST Challenge process and benefits in detail. It also provides an introduction to and context for the remaining papers in the issue.

visual analytics, sensemaking, evaluation, crowdso↗
NASA NTRS1993

A new parallel-vector finite element analysis software on distributed-memory computers

A new parallel-vector finite element analysis software package MPFEA (Massively Parallel-vector Finite Element Analysis) is developed for large-scale structural analysis on massively parallel computers with distributed-memory. MPFEA is designed for parallel generation and assembly of the global finite element stiffness matrices as well as parallel solution of the simultaneous linear equations, since these are often the major time-consuming parts of a finite element analysis. Block-skyline storage scheme along with vector-unrolling techniques are used to enhance the vector performance. Communications among processors are carried out concurrently with arithmetic operations to reduce the total execution time. Numerical results on the Intel iPSC/860 computers (such as the Intel Gamma with 128 processors and the Intel Touchstone Delta with 512 processors) are presented, including an aircraft structure and some very large truss structures, to demonstrate the efficiency and accuracy of MPFEA.

Qin, Jiangning↗
NASA NTRS1993

Effects of spatial variability and scale on areal -average evapotranspiration

This paper explores the effect of spatial variability and scale on areally-averaged evapotranspiration. A spatially-distributed water and energy balance model is employed to determine the effect of explicit patterns of model parameters and atmospheric forcing on modeled areally-averaged evapotranspiration over a range of increasing spatial scales. The analysis is performed from the local scale to the catchment scale. The study area is King's Creek catchment, an 11.7 sq km watershed located on the native tallgrass prairie of Kansas. The dominant controls on the scaling behavior of catchment-average evapotranspiration are investigated by simulation, as is the existence of a threshold scale for evapotranspiration modeling, with implications for explicit versus statistical representation of important process controls. It appears that some of our findings are fairly general, and will therefore provide a framework for understanding the scaling behavior of areally-averaged evapotranspiration at the catchment and larger scales.

Famiglietti, J. S.↗
NASA NTRS2001

SRM Internal Flow Tests and Computational Fluid Dynamic Analysis: CFD RSRM Full-Scale Analyses - Volume 2

This document presents the full-scale analyses of the CFD RSRM. The RSRM model was developed with a 20 second burn time. The following are presented as part of the full-scale analyses: (1) RSRM embedded inclusion analysis; (2) RSRM igniter nozzle design analysis; (3) Nozzle Joint 4 erosion anomaly; (4) RSRM full motor port slag accumulation analysis; (5) RSRM motor analysis of two-phase flow in the aft segment/submerged nozzle region; (6) Completion of 3-D Analysis of the hot air nozzle manifold; (7) Bates Motor distributed combustion test case; and (8) Three Dimensional Polysulfide Bump Analysis.

Source record↗
NASA NTRS2022

Information Fusion and Data Analytics for Human Lunar Exploration (CIF REPORT: Detailed PI Write-up)

The Information Fusion & Data Analytics (IFDA) project commenced in FY20, continued through FY21, and its final platform development phase continues in FY22. The objective remains the fusion and rapid accessibility of large quantities of disparate sourced human spaceflight data. IFDA is a platform tailored for NA (S&MA) to develop highly advanced operational data integration and analysis techniques. IFDA leverages the JSC ER7 modeling, simulation,and data fusion capabilities to collect, warehouse, and augment data human exploration data integration and analysis techniques. The IFDA project’s integrated data visualizations have been demonstrated in two validation scenarios in FY21, and provided the architecture and platform basis for development of a full-scale data analysis suite and storage solution useful to all JSC organizations engaged in real time operations and safety tasks. Scenarioand prototypical development including the construction of a full scale data analysis suite and storage solution, useful to all JSC organizations engaged in real time operations and safety tasks, is central to IFDA Phase 3 and provides a demonstrable pathway for the Digital Transformation Program. IFDA Phase 3 is focused on data provider, data utilizer, and SME hands-on workshops that will conclude the Dem / Valphase and deliver a program-ready data integration tool as a product.

information fusion↗