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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
NASA NTRS2020

Dynamic Stability And Adaptive Control of Networked Evolving Formations with Weak Nonlinearities

The dynamic stability of formation geometry is vital to the design of large scale multiagent systems. In this paper, we probe into the structure of the formation system matrix using the Laplacian of a digraph to develop several fundamental theoretical results on the stability of formation geometry. Our key-results include the integration of the graph Laplacian into linear and weak-nonlinear relative dynamics, the development of several new coordinate transformations that expose the influence of the graph Laplacian matrix on the control laws of the agents, and the use of direct adaptive control as stability restoring devices. We also develop two fundamental results that provide upper bounds for stable formation evolution under nonlinear perturbations of agent dynamics. Finally, we use an illustrative example to demonstrate our theoretical findings.

Gehlot, Vinod P.↗
DOE OSTI2015

Structure recognition from high resolution images of ceramic composites

Fibers provide exceptional strength-to-weight ratio capabilities when woven into ceramic composites, transforming them into materials with exceptional resistance to high temperature, and high strength combined with improved fracture toughness. Microcracks are inevitable when the material is under strain, which can be imaged using synchrotron X-ray computed micro-tomography (mu-CT) for assessment of material mechanical toughness variation. An important part of this analysis is to recognize fibrillar features. This paper presents algorithms for detecting and quantifying composite cracks and fiber breaks from high-resolution image stacks. First, we propose recognition algorithms to identify the different structures of the composite, including matrix cracks and fibers breaks. Second, we introduce our package F3D for fast filtering of large 3D imagery, implemented in OpenCL to take advantage of graphic cards. Results show that our algorithms automatically identify micro-damage and that the GPU-based implementation introduced here takes minutes, being 17x faster than similar tools on a typical image file.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Clustering-based biased Monte Carlo Approach to Protein Titration Curve Prediction

We develop and implement a novel approach to computing the ensemble averages in systems characterized by pair-wise interactions between the entities. Methods involving full enumeration of the configuration space result in exponential complexity. Sampling methods such as Markov Chain Monte Carlo (MCMC) algorithms have been proposed to tackle the exponential complexity of these problems. In certain scenarios where significant energetic coupling exists between the entities, the accuracy of the such algorithms can be diminished. We propose a strategy to improve the accuracy of the MCMC runs by taking advantage of the cluster structure in the interaction energy matrix. We propose two different schemes for performing the biased MCMC runs on the partitioned systems and show that they are valid MCMC schemes. We then apply these algorithms to the problem of computing the protonation fractions and hence the titration curves of titratable protein residues that constitute a given protein. We leverage both synthesized and real-world systems and show the improved performance of our biased MCMC methods when compared to the regular MCMC method.

Visweswara Sathanur, Arun↗
DOE OSTI2026

Constraining Hamiltonians from chiral effective field theory with neutron-star data

Multi-messenger observations of neutron stars (NSs) and their mergers have placed strong constraints on the dense-matter equation of state (EOS). The EOS, in turn, depends on microscopic nuclear interactions that are described by nuclear Hamiltonians. These Hamiltonians are commonly derived within chiral effective field theory (EFT). Ideally, multi-messenger observations of NSs could be used to directly inform our understanding of EFT interactions, but such a direct inference necessitates millions of model evaluations. This is computationally prohibitive because each evaluation requires us to calculate the EOS from a Hamiltonian by solving the quantum many-body problem with methods such as auxiliary-field diffusion Monte Carlo (AFDMC), which provides very accurate and precise solutions but at a significant computational cost. Additionally, we need to solve the stellar structure equations for each EOS which further slows down each model evaluation by a few seconds. In this work, we combine emulators for AFDMC calculations of neutron matter, built using parametric matrix models, and for the stellar structure equations, built using multilayer perceptron neural networks, with the PyCBC data-analysis framework to enable a direct inference of coupling constants in an EFT Hamiltonian using multi-messenger observations of NSs. We find that astrophysical data can provide informative constraints on two-nucleon couplings despite the high densities probed in NS interiors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Computer code for double beta decay QRPA based calculations

The computer code developed by our group some years ago for the evaluation of nuclear matrix elements, within the QRPA and PQRPA nuclear structure models, involved in neutrino-nucleus reactions, muon capture and β{sup ±} processes, is extended to include also the nuclear double beta decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1992

A piecewise continuous Timoshenko beam model for the dynamic analysis of tapered beam-like structures

Distributed parameter modeling offers a viable alternative to the finite element approach for modeling large flexible space structures. The introduction of the transfer matrix method into the continuum modeling process provides a very useful tool to facilitate the distributed parameter model applied to some more complex configurations. A uniform Timoshenko beam model for the estimation of the dynamic properties of beam-like structures has given comparable results. But many aeronautical and aerospace structures are comprised of non-uniform sections or sectional properties, such as aircraft wings and satellite antennas. This paper proposes a piecewise continuous Timoshenko beam model which is used for the dynamic analysis of tapered beam-like structures. A tapered beam is divided into several segments of uniform beam elements. Instead of arbitrarily assumed shape functions used in finite element analysis, the closed-form solution of the Timoshenko beam equation is used. Application of the transfer matrix method relates all the elements as a whole. By corresponding boundary conditions and compatible conditions a characteristic equation for the global tapered beam has been developed, from which natural frequencies can be derived. A computer simulation is shown in this paper, and compared with the results obtained from the finite element analysis. While piecewise continuous Timoshenko beam model decreases the number of elements significantly; comparable results to the finite element method are obtained.

Shen, Ji Yao↗
NASA NTRS2018

Simulating the Effects of Carbon Nanotube Continuity and Interfacial Bonding on Composite Strength and Stiffness

Molecular dynamics simulations of carbon nanotube (CNT) composites, in which the CNTs are continuous across the periodic boundary, overestimate the experimentally measured mechanical properties of CNT composites along the fiber direction. Since the CNTs in these composites are much shorter than the composite dimensions, load must be transferred either directly between CNTs or through the matrix, a mechanism that is absent in simulations of effectively continuous CNTs. In this study, the elastic and fracture properties of high volume fraction discontinuous carbon nanotube/amorphous carbon composite systems were compared to those of otherwise equivalent continuous CNT composites using ReaxFF reactive molecular dynamics simulations. These simulations were used to show how the number of nanotube-matrix interfacial covalent bonds affect composite mechanical properties. Furthermore, the mechanical impact of interfacial bonding was decomposed to reveal its effect on the properties of the CNTs, the interfacial layer of matrix, and the bulk matrix. For the composites with continuous reinforcement, it was found that any degree of interfacial bonding has a negative impact on axial tensile strength and stiffness. This is due to disruption of the structure of the CNTs and interfacial matrix layer by the interfacial bonds. For the discontinuous composites, the modulus was maximized between 4%-7% interfacial bonding and the strength continues to increase up to the highest levels of interfacial bonding studied. Areas of low stress and voids were observed in the simulated discontinuous composites at the ends of the tubes, from which fracture was observed to initiate. Experimental carbon nanotube yarn composites were fabricated and tested. The results were used to illustrate knockdown factors relative to the mechanical performance of the tubes themselves.

Benjamin D Jensen↗
NASA NTRS1993

Boundary formulations for sensitivity analysis without matrix derivatives

A new hybrid approach to continuum structural shape sensitivity analysis employing boundary element analysis (BEA) is presented. The approach uses iterative reanalysis to obviate the need to factor perturbed matrices in the determination of surface displacement and traction sensitivities via a univariate perturbation/finite difference (UPFD) step. The UPFD approach makes it possible to immediately reuse existing subroutines for computation of BEA matrix coefficients in the design sensitivity analysis process. The reanalysis technique computes economical response of univariately perturbed models without factoring perturbed matrices. The approach provides substantial computational economy without the burden of a large-scale reprogramming effort.

Kane, J. H.↗
DOE OSTI2014

Thermal stability of bimetallic Au/Fe nanoparticles in silica matrix

Thin silica film containing Au and Fe bimetallic nanoparticles were prepared by atom beam cosputtering. The samples were annealed at different temperatures from 400 to 800° C to study the thermal stability of bimetallic nanoparticles using X ray diffraction. It is observed that at 800° C strong structural rearrangement took place leading to thermal decomposition of bimetallic nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Extracellular Matrix-Inspired Growth Factor Delivery Systems for Skin Wound Healing

Blood vessel growth plays a key role in regenerative medicine, both to restore blood supply to ischemic tissues and to ensure rapid vascularization of clinical-size tissue-engineered grafts. For example, vascular endothelial growth factor (VEGF) is the master regulator of physiological blood vessel growth and is one of the main molecular targets of therapeutic angiogenesis approaches. However, angiogenesis is a complex process and there is a need to develop rational therapeutic strategies based on a firm understanding of basic vascular biology principles, as evidenced by the disappointing results of initial clinical trials of angiogenic factor delivery. In particular, the spatial localization of angiogenic signals in the extracellular matrix (ECM) is crucial to ensure the proper assembly and maturation of new vascular structures. Here, we discuss the therapeutic implications of matrix interactions of angiogenic factors, with a special emphasis on VEGF, as well as provide an overview of current approaches, based on protein and biomaterial engineering that mimic the regulatory functions of ECM to optimize the signaling microenvironment of vascular growth factors.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Gluonic Structure from Instantons

The instanton vacuum provides an effective description of chiral symmetry breaking by local topological fluctuations of the gauge fields, as observed in lattice QCD simulations. The resulting effective dynamics at momenta below 1/$\bar{ρ}$ ≈ 0.6 GeV explains the basic features of light-quark correlation functions and is used extensively in studies of hadron structure. The instanton fields also make definite contributions to the gluonic structure of light hadrons, as expressed in the matrix elements of composite quark– gluon or gluon operators. The article reviews the gluonic structure of light hadrons (nucleon, pion) induced by instantons. This includes: (i) twist-2 parton distributions and momentum sum rule; (ii) twist-3 angular momentum and spin-orbit interactions; (iii) twist-3 and twist-4 quark–gluon correlations and power corrections; (iv) trace anomaly and hadron mass decomposition; (v) scalar gluon form factors and mechanical properties; (vi) axial anomaly and pseudoscalar gluon form factors. It also discusses possible further applications of the methods and recent developments including gauge field configurations beyond instantons.

Weiss, C. [Thomas Jefferson National Accelerator F↗
DOE OSTI2013

Report on the Implementation of Homogeneous Nucleation Scheme in MARMOT-based Phase Field Simulation

In this report, we summarized our effort in developing mesoscale phase field models for predicting precipitation kinetics in alloys during thermal aging and/or under irradiation in nuclear reactors. The first part focused on developing a method to predict the thermodynamic properties of critical nuclei such as the sizes and concentration profiles of critical nuclei, and nucleation barrier. These properties are crucial for quantitative simulations of precipitate evolution kinetics with phase field models. Fe-Cr alloy was chosen as a model alloy because it has valid thermodynamic and kinetic data as well as it is an important structural material in nuclear reactors. A constrained shrinking dimer dynamics (CSDD) method was developed to search for the energy minimum path during nucleation. With the method we are able to predict the concentration profiles of the critical nuclei of Cr-rich precipitates and nucleation energy barriers. Simulations showed that Cr concentration distribution in the critical nucleus strongly depends on the overall Cr concentration as well as temperature. The Cr concentration inside the critical nucleus is much smaller than the equilibrium concentration calculated by the equilibrium phase diagram. This implies that a non-classical nucleation theory should be used to deal with the nucleation of Cr precipitates in Fe-Cr alloys. The growth kinetics of both classical and non-classical nuclei was investigated by the phase field approach. A number of interesting phenomena were observed from the simulations: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrated that it is critical to introduce the correct critical nuclei into phase field modeling in order to correctly capture the kinetics of precipitation. In most alloys the matrix phase and precipitate phase have different concentrations as well as different crystal structures. For example, Cu precipitates in FeCu alloys have fcc crystal structure while the matrix Fe-Cu solid solution has bcc structure at low temperature. The WBM model and KimS model, where both concentrations and order parameters are chosen to describe the microstructures, are commonly used to model precipitations in such alloys. The WBM and KimS models have not been implemented into Marmot yet. In the second part of this report, we focused on implementing the WBM and KimS models into Marmot. The Fe-Cu alloys, which are important structure materials in nuclear reactors, was taken as the model alloys to test the models.

Fe Alloys↗
DOE OSTI2018

The microstructure and formation mechanism of face-centered cubic Ti in commercial pure Ti foils during tensile deformation at room temperature

Highlights: • Two variants of fcc-Ti appear in ultra-thin commercial pure Ti foils during tension. • The appearance of obvious yield point may be attributed to the formation of fcc-Ti. • The orientation relationship between fcc-Ti phase and hcp-Ti matrix is determined. • The characteristics of dislocation structure in fcc-Ti are identified. • A model for the formation of fcc-Ti is proposed. - Abstract: Two variants of face-centered cubic (fcc) Ti phase appear in ultra-thin commercial pure Ti foils with hexagonal closed packed (hcp) structure during tensile deformation at room temperature. The orientation relationship between fcc-Ti phase and hcp-Ti matrix is determined as <0001>{sub HCP} // <001>{sub FCC}, <11 2-bar 0>{sub HCP} // <1 1-bar 0>{sub FCC} and <01 1-bar 0>{sub HCP} // <110> {sub FCC}. The fcc-Ti phase with a habit plane of {01 1-bar 0}{sub HCP} usually nucleates at grain boundary and grows along the direction of <11> } } }2 }&<; }0 2-bar 0 </>{sub HCP}. The thickness of fcc-Ti phase with a shape of thin plate ranges from 10 nm to 200 nm. Dislocations, steps and stacking faults with a space of 0.58 nm can be seen in fcc-Ti. The formation of a five-layer fcc-Ti can be accomplished by the formation of stacking faults and gliding of 1/6[11 2-bar 0] Shockley partial dislocations on the prismatic plane of hcp-Ti. The 1/3[11 2-bar 0] dislocations in hcp-matrix can cross the fcc-Ti phase because the Burgers vector of these dislocations is coincidence with 1/2[110] dislocations in the fcc-Ti.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Corrosion of Containment Alloys in Molten Salt Reactors and the Prospect of Online Monitoring

The aim of this review is to communicate some essential knowledge of the underlying mechanism of the corrosion of structural containment alloys during molten salt reactor operation in the context of prospective online monitoring in future MSR installations. The formation of metal halide species and the progression of their concentration in the molten salt do reflect containment corrosion, tracing the depletion of alloying metals at the alloy salt interface will assure safe conditions during reactor operation. Even though the progress of alloying metal halides concentrations in the molten salt do strongly understate actual corrosion rates, their prospective 1 st order kinetics followed by near-linearly increase is attributed to homogeneous matrix corrosion. The service life of the structural containment alloy is derived from homogeneous matrix corrosion and near-surface void formation but less so from intergranular cracking (IGC) and pitting corrosion. Online monitoring of corrosion species is of particular interest for molten chloride systems since besides the expected formation of chromium chloride species CrCl 2 and CrCl 3 , other metal chloride species such as FeCl 2 , FeCl 3 , MoCl 2 , MnCl 2 and NiCl 2 will form, depending on the selected structural alloy. The metal chloride concentrations should follow, after an incubation period of about 10,000 hours, a linear projection with a positive slope and a steady increase of <1 ppm per day. During the incubation period metal concentration show 1 st order kinetics and increasing linearly with time. Ideally, a linear increase reflects homogeneous matrix corrosion, while a sharp increase in the metal chloride concentration could set a warning flag for potential material failure within the projected service life, e.g. as result of intergranular cracking or pitting corrosion. Continuous monitoring of metal chloride concentrations can therefore provide direct information about the mechanism of the ongoing corrosion scenario and offer valuable information for a timely warning of prospective material failure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Fabrication of [001]L1{sub 0}-FePtRh ferro-antiferromagnetic pattern by flat-patterning method

A flat-patterning method that exploits the ferromagnetic (FM) - antiferromagnetic (AF) transition in [001]-oriented L1{sub 0} FePt{sub 1-x}Rh{sub x} films was investigated. FM-AF patterns with dot diameters between 15 and 1000 nm were fabricated by locally diffusing a small percentage of FePt atoms onto the FePt{sub 1-x}Rh{sub x} film. The geometric and magnetic properties of the patterns were analyzed in detail. Only the area whose composition crossed the FM-AF threshold underwent a magnetic phase change to the FM phase. FM dots with single-domain structures were observed in the AF matrix in the range of 15-100 nm by magnetic force microscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Growth-induced non-planar magnetic anisotropy in FeCoZr-CaF{sub 2} nanogranular films: Structural and magnetic characterization

The relation between nanoscale structure, local atomic order and magnetic properties of (FeCoZr){sub x}(CaF{sub 2}){sub 100−x} (29 ≤ x ≤ 73 at. %) granular films is studied as a function of metal/insulator fraction ratio. The films of a thickness of 1–6 μm were deposited on Al-foils and glass-ceramic substrates, by ion sputtering of targets of different metal/insulator contents. Structural characterization with X-ray and electron diffraction as well as transmission electron microscopy revealed that the films are composed of isolated nanocrystalline bcc α-FeCo(Zr) alloy and insulating fcc CaF{sub 2} matrix. They grow in a columnar structure, where elongated metallic nanograins are arranged on top of each other within the columns almost normal to the substrate surface. Mössbauer spectroscopy and magnetometry results indicate that their easy magnetization axes are oriented at an angle of 65°–74° to the surface in films with x between 46 and 74, above the electrical percolation threshold, which is attributed to the growth-induced shape anisotropy. Interatomic distances characteristic for metallic state of α-FeCo(Zr) nanograins were revealed by X-ray Absorption Spectroscopy. The results show a lack of surface oxidation of the alloy nanograins, so the growth-induced orientation of nanograins in the films cannot be attributed to this effect. The study is among the first to report a growth-induced non-planar magnetic anisotropy in metal/insulator granular films above the percolation threshold and to reveal the origin of it.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

Regenerator matrix physical property data

Among several cellular ceramic structures manufactured by various suppliers for regenerator application in a gas turbine engine, three have the best potential for achieving durability and performance objectives for use in gas turbines, Stirling engines, and waste heat recovery systems: (1) an aluminum-silicate sinusoidal flow passage made from a corrugated wate paper process; (2) an extruded isosceles triangle flow passage; and (3) a second generation matrix incorporating a square flow passage formed by an embossing process. Key physical and thermal property data for these configurations presented include: heat transfer and pressure drop characteristics, compressive strength, tensile strength and elasticity, thermal expansion characteristics, chanical attack, and thermal stability.

Fucinari, C. A.↗