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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
NASA NTRS2015

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Jensen, Benjamin D.↗
DOE OSTI2018

A Feature-Based Stochastic Permeability of Shale: Part 1—Validation and Two-Phase Permeability in a Utica Shale Sample

Estimate of permeability plays a crucial role in flow-based studies of fractured tight-rocks. It is well known that most of the flow through tight-rocks (e.g., shales) is controlled by permeable features (e.g., fractures, laminations, etc.), and there is negligible flow through the matrix. However, current approaches in the literature to model permeability of tight-rocks do not account for such features present within the rock ranging from micro-scale to field-scale. Current permeability modeling approach assumes a single continuum without considering the presence of permeable features within the matrix (e.g., micro-fractures) or outside the matrix (e.g., natural fractures). Although the laboratory-measured permeability implicitly captures discrete features present in that sample (e.g., fractures, laminations, micro-fractures), most of the permeability models proposed for shale do not account for these features. Fracture permeability in the literature is typically modeled using an ideal slit assumption; however, this highly overestimates its permeability because fractures in real medium are non-ideal in terms of their porosity and tortuosity, which affect their permeability. Additionally, the transition zone between fracture and matrix also affects the permeability of fracture. Here in this study, part of a two-part series, a new method to predict permeability of fractured shale by discretizing the medium into matrix (inorganic and organic) and fractures is presented. New analytical expressions of permeability are derived to account for non-ideal nature of porous medium and two-phase flow in fractures. Rock feature in each cell of the grid is identified as one of the three elements (organic matter, inorganic matter, or fracture), and permeability of that cell is estimated using a suitable analytical expression. This method allows estimating permeability at any scale of interest and more robustly than by a pure analytical approach. The proposed method is validated against local and global-scale measurements on three fractured samples from laboratory. Finally, the method is used to predict two-phase flow permeability of supercritical CO 2 displacing water within a fracture in a Utica shale sample. The proposed two-phase flow permeability equations can be used as a quick analytical tool to predict relative permeability estimates of two-phase flow in fractured shale samples. In Part 2, the proposed method is used to estimate field-scale permeability through an optimization process that uses field-scale production and other readily available information.

58 GEOSCIENCES↗
NASA NTRS1980

Equivalent source modeling of the main field using MAGSAT data

The software was considerably enhanced to accommodate a more comprehensive examination of data available for field modeling using the equivalent sources method by (1) implementing a dynamic core allocation capability into the software system for the automatic dimensioning of the normal matrix; (2) implementing a time dependent model for the dipoles; (3) incorporating the capability to input specialized data formats in a fashion similar to models in spherical harmonics; and (4) implementing the optional ability to simultaneously estimate observatory anomaly biases where annual means data is utilized. The time dependence capability was demonstrated by estimating a component model of 21 deg resolution using the 14 day MAGSAT data set of Goddard's MGST (12/80). The equivalent source model reproduced both the constant and the secular variation found in MGST (12/80).

Source record↗
NASA NTRS1986

Reduced modeling of flexible structures for decentralized control

Based upon the modified finite element-transfer matrix method, this paper presents a technique for reduced modeling of flexible structures for decentralized control. The modeling decisions are carried out at (finite-) element level, and are dictated by control objectives. A simply supported beam with two sets of actuators and sensors (linear force actuator and linear position and velocity sensors) is considered for illustration. In this case, it is conjectured that the decentrally controlled closed loop system is guaranteed to be at least marginally stable.

Yousuff, A.↗
NASA NTRS1985

Longitudinal splitting in unidirectional composites, analysis and experiments

An experimental study is conducted to determine the fracture behavior of center notched, unidirectional graphite/epoxy laminates when subjected to tensile loading. The actual behavior is compared to the behavior predicted by a mathematical model based on classical shear-lag assumptions. The model allows for damage to occur in the form of longitudinal matrix yielding and splitting with the matrix assumed to fail in pure shear. Results indicate that the model is capable of predicting split initiation stress levels accurately, but does not describe the subsequent split growth adequately. The model predicts rapid split growth following split initiation due to shear failure, while the actual behavior involves a slow split growth region prior to the rapid growth region. It is suggested that transverse matrix normal stresses are responsible for split initiation and the early, slow split growth. The model predicts the actual initiation stress levels reliably, and also appears to be able to predict the point at which the shear failure mode begins to dominate. The shear failure mode does eventually dominate, but at a slower rate than predicted. The nonuniform structure of the graphite/epoxy laminates is thought to be responsible for decreasing the split growth rate due to shear failure.

Goree, J. G.↗
DOE OSTI2023

Characterizing the performance of node-aware strategies for irregular point-to-point communication on heterogeneous architectures

Supercomputer architectures are trending toward higher computational throughput due to the inclusion of heterogeneous compute nodes. These multi-GPU nodes increase on-node computational efficiency, while also increasing the amount of data to be communicated and the number of potential data flow paths. In this work, we characterize the performance of irregular point-to-point communication with MPI on heterogeneous compute environments through performance modeling, demonstrating the limitations of standard communication strategies for both device-aware and staging-through-host communication techniques. Presented models suggest staging communicated data through host processes then using node-aware communication strategies for high inter-node message counts. Notably, the models also predict that node-aware communication utilizing all available CPU cores to communicate inter-node data leads to the most performant strategy when communicating with a high number of nodes. Furthermore, model validation is provided via a case study of irregular point-to-point communication patterns in distributed sparse matrix–vector products. Importantly, we include a discussion on the implications model predictions have on communication strategy design for emerging supercomputer architectures.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2022

Natural Language Processing Techniques for Intelligent Knowledge Management of Safety Reports

Safety, failure, and incident reports are common artifacts across various domains, including aviation and wildfire response. These reports are often mandatory to submit, resulting in the culmination of large repositories of text-based documents. Simultaneously, these reports and corresponding repositories are often only manually analyzed and queried by users via out-of-date search engines. As a consequence, we have been developing the Manager for Intelligent Knowledge Access (MIKA) toolkit, which uses natural language processing to improve information access and reuse. In this presentation, we discuss natural language processing techniques for knowledge discovery and apply these methods to a repository of aerial wildfire mishap reports. Two methods are used for knowledge discovery: topic modeling and named-entity recognition. We use topic modeling to identify hazards and perform a trend analysis to produce a data-driven risk matrix. A custom named-entity recognition model, build from fine tuning a pre-trained language model, is used to identify failure modes, failure causes, failure effects, control processes, and recommendations to aid in failure modes and effects analysis (FMEA). Throughout the presentation, we discuss and apply natural language processing techniques to better leverage the vast amount of information contained in report repositories.

Machine learning↗
DOE OSTI2024

Extracting and Interpreting Electrochemical Impedance Spectra (EIS) from Physics-Based Models of Lithium-Ion Batteries

This paper implements a highly efficient algorithm to extract electrochemical impedance spectra (EIS) from physics-based battery models (e.g., a P2D model). The mathematical approach is different from how EIS is practiced experimentally. Experimentally, the voltage (current) is harmonically perturbed over a wide range of frequencies and the amplitude and phase shift of the corresponding current (voltage) is measured. The experimental approach can be implemented in simulation software, but is computationally expensive. The approach here is to determine locally linear state-space models from the full physical model. The four Jacobian matrices that are the basis of the state-space models can be derived by numerical differentiation of the physical model. The EIS is then extracted from the state-space model using computationally efficient matrix-manipulation techniques. The algorithm can evaluate the full EIS at an instant in time during a transient, independent of whether the battery is in a stationary state. The approach is also able to separate the full-cell impedance to evaluate partial EIS, such as for a battery anode alone. Although such partial EIS is difficult to measure experimentally, the partial EIS provides valuable insights in interpreting the full-cell EIS.

25 ENERGY STORAGE↗
DOE OSTI2023

Enhanced superconductivity by near-neighbor attraction in the doped extended Hubbard model

A recent experiment has unveiled an anomalously strong electron-electron attraction in the one-dimensional copper-oxide chain Ba 2–x Sr x CuO 3+δ . While the effect of the near-neighbor electron attraction V in the one-dimensional extended Hubbard chain has been examined recently, its effect in the Hubbard model beyond the one-dimensional chain remains unclear. Here, in this work, we report a density matrix renormalization group study of the extended Hubbard model on long four-leg cylinders on the square lattice. We find that the near-neighbor electron attraction V can notably enhance the long-distance superconducting correlations while simultaneously suppressing the charge-density-wave (CDW) correlations. Specifically, for a modestly strong electron attraction, the superconducting correlations become dominant over the CDW correlations with a Luttinger exponent K sc ~1 and strong divergent superconducting susceptibility. Our results provide a promising way to realize long-range superconductivity in the doped Hubbard model. The relevance of our numerical results to cuprate materials is also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Diagonalization of transfer matrix of supersymmetry U{sub q}(sl-caret(M+1|N+1)) chain with a boundary

We study the supersymmetry U{sub q}(sl-caret(M+1|N+1)) analogue of the supersymmetric t-J model with a boundary. Our approach is based on the algebraic analysis method of solvable lattice models. We diagonalize the commuting transfer matrix by using the bosonizations of the vertex operators associated with the quantum affine supersymmetry U{sub q}(sl-caret(M+1|N+1)).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A generalized 3D elastic model for nanoscale, self-assembled oxide-metal thin films with pillar-in-matrix configurations

In recent years, functional oxide-metal based vertically aligned nanocomposite (VAN) thin films have gained interest due to their intriguing physical properties and multifunctionalities stemming from the complex interactions between the two phases in the film and the substrate. In this work, we develop a model for studying the energetics of these thin film systems, including the effects of both lattice mismatch and capillary forces due to interface curvature. Each phase is incorporated into the model using a phase indicator function, and we introduce the capillary forces as body forces using a vector density representation of the interface. The model is implemented using the finite element method to study the deformation of the thin film which is composed of Au nanopillars embedded in a La 0.7 Sr 0.3 MnO 3 (LSMO) matrix on an SrTiO 3 (STO) substrate. Further, the results suggest that the total energy is lowest for random configurations of pillars compared to ordered square and hexagonal lattice configurations, consistent with the random distribution of pillars found in experiments. Furthermore, we find that the interfacial energy dominates the total energy of each configuration, suggesting that interfacial energy in the system is an important design parameter for nanocomposite growth, along with the lattice mismatch.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Thermal-Interaction Matrix For Resistive Test Structure

Linear mathematical model predicts increase in temperature in each segment of 15-segment resistive structure used to test electromigration. Assumption of linearity based on fact: equations that govern flow of heat are linear and coefficients in equations (heat conductivities and capacities) depend only weakly on temperature and considered constant over limited range of temperature.

Buehler, Martin G.↗
DOE OSTI2017

SiC/SiC Cladding Materials Properties Handbook

When a new class of material is considered for a nuclear core structure, the in-pile performance is usually assessed based on multi-physics modeling in coordination with experiments. This report aims to provide data for the mechanical and physical properties and environmental resistance of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accidenttolerant fuel cladding for light water reactors (LWRs). The properties are specific for tube geometry, although many properties can be predicted from planar specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and offnormal operation conditions, hermeticity, and irradiation resistance. Table S.1 summarizes those properties mainly for nuclear-grade SiC/SiC composites fabricated via chemical vapor infiltration (CVI). While most of the important properties are available, this work found that data for the in-pile hydrothermal corrosion resistance of SiC materials and for thermal properties of tube materials are lacking for evaluation of SiC-based cladding for LWR applications.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SUBSURFACE CHARACTERIZATION OF 67P/CHURYUMOV–GERASIMENKO’S ABYDOS SITE

On 2014 November 12, the ESA/ Rosetta descent module Philae landed on the Abydos site of comet 67P/Churyumov–Gerasimenko. Aboard this module, the Ptolemy mass spectrometer measured a CO/CO{sub 2} ratio of 0.07 ± 0.04, which differs substantially from the value obtained in the coma by the Rosetta /ROSINA instrument, suggesting a heterogeneity in the comet nucleus. To understand this difference, we investigated the physicochemical properties of the Abydos subsurface, leading to CO/CO{sub 2} ratios close to that observed by Ptolemy at the surface of this region. We used a comet nucleus model that takes into account different water ice phase changes (amorphous ice, crystalline ice, and clathrates) as well as diffusion of molecules throughout the pores of the matrix. The input parameters of the model were optimized for the Abydos site, and the ROSINA CO/CO{sub 2} measured ratio is assumed to correspond to the bulk value in the nucleus. We find that all considered structures of water ice are able to reproduce the Ptolemy observation with a time difference not exceeding ∼50 days, i.e., lower than ∼2% on 67P/Churyumov–Gerasimenko’s orbital period. The suspected heterogeneity of 67P/Churyumov–Gerasimenko’s nucleus is also found possible only if it is constituted of crystalline ices. If the icy phase is made of amorphous ice or clathrates, the difference between Ptolemy and ROSINA’s measurements would rather originate from the spatial variations in illumination on the nucleus surface. An eventual new measurement of the CO/CO{sub 2} ratio at Abydos by Ptolemy could be decisive to distinguish between the three water ice structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

Predictions of the critical strain for matrix cracking of ceramic matrix composites

The critical strain for matrix cracking of ceramic matrix composites has been studied; emphasis is placed on the effects of the fiber/matrix debonding length and interfacial debonding energy. Based on a modified shear-lag model, stresses in the fiber and matrix have been found for both the bonded and debonded regions. An energy-balance approach, based upon the stress field, is then adopted to evaluate the critical strain for matrix cracking. From the general equation for the critical strain, close form solutions have been deduced for two limiting cases: complete debonding and perfect bonding. Numerical solutions are given for the cases of nonzero debonding energy and partial fiber debonding. The results show that the interfacial debonding energy, which has been ignored by most of the investigators, is an important factor in determining both the critical strain and the debonding length.

Kuo, Wen-Shyong↗
DOE OSTI2021

Multicontinuum Flow Models for Assessing Two-Phase Flow in Containment Science

We present a new pre-processor tool written in Python that creates multicontinuum meshes for PFLOTRAN to simulate two-phase flow and transport in both the fracture and matrix continua. We discuss the multicontinuum modeling approach to simulate potentially mobile water and gas in the fractured volcanic tuffs at Aqueduct Mesa, at the Nevada National Security Site.

58 GEOSCIENCES↗
DOE OSTI2020

Theory for transport in magnetized plasmas

We present a two fluid model for anomalous thermal, particle and momentum transport which has been derived from kinetic theory using a small parameter ε~10-2. This small parameter can come from either the ratio of wave frequency to cyclotron frequency or the ratio of potential to thermal energies. This fluid model is strongly nonlinear and has an exact closure within the accuracy ε. It can be used to simulate the full radius of a tokamak including internal and edge transport barriers at the same time without introducing any local assumptions for physics model or grid size. It involves a full transport matrix, thus giving possibility for both density and heat pinches. The model can be derived from the Vlasov equation, adding also close collisions and includes particle pinches of the type found in the magnetosphere and in the Massachusetts Institute of Technology elevated dipole machine. Pinches are also in agreement for the heat pinch experiments on Doublet III D including simultaneous particle and heat pinches. For tokamaks it gives the right scaling of confinement time versus heating power. Finally, we have also recovered the Turbulent Equipartition result that the density scales as inverse safety factor q in typical simulations. Thus this model is both fundamental and of high practical use.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Code Benchmark of the HTTF Pressurized Conduction Cooldown Test Using SAM

The High Temperature Test Facility (HTTF) at Oregon State University is an integral system test facility to simulate postulated reactor transients of prismatic high-temperature gas-cooled reactors(HTGRs). A series of test campaigns was launched, providing abundant test data that could be used to benchmark reactor system analysis codes like the System Analysis Module (SAM). In this study, a SAM model of the facility is developed based on the two-dimensional (2D) ring model approach. All components including the ceramic matrix, graphite heaters, helium coolant channels, core barrel, upcomer, pressure vessel, and reactor cavity cooling system are modeled as concentric cylindrical rings. The model is used to simulate one of the benchmark problems-Pressurized Conduction Cooldown (PCC)-within the scope of the Organisation for Economic Co-operation and Development Nuclear Energy Agency International HTTF Benchmark. The simulations consist of two parts. In the first part, operating and boundary conditions as well as thermophysical properties of materials are specified for the benchmark problem. In this work, results from the first part will be used in code-to-code comparison. In the second part, the SAM model is used to simulate Test PG-27, which is the first PCC test carried out in the HTTF, with only two of the ten heater banks activated. The results in the second part are used for code-to-data comparison. Because the helium coolant flow rate is not measured in this facility, it is estimated using the input power and inlet/outlet coolant temperatures. Additionally, radial heat flow in the ceramic blocks is complicated by hundreds of cylindrical coolant channels and heater rods embedded in them. As such, it is necessary to deduce an effective thermal conductivity for the ceramic to analyze the core thermal behavior. SAM predictions of the helium coolant and ceramic temperatures are compared with test data measured in three equivalent sectors. Overall, the SAM results agree reasonably well with test data within the variation of data among the three sectors, which demonstrates SAM's capability in capturing transient effects in HTGR using the simplified 2D ring model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗