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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Structural and Chemical Evolution of the Layered Li-Excess Li x MnO 3 as a Function of Li Content from First-Principles Calculations

Li 2 MnO 3 is a critical component in the family of "Li-excess" materials, which are attracting attention as advanced cathode materials for Li-ion batteries. Here, first-principle calculations are presented to investigate the electrochemical activity and structural stability of stoichiometric Li x MnO 3 (0 ≤ x ≤ 2) as a function of Li content. The Li 2 MnO 3 structure is electrochemically activated above 4.5 V on delithiation and charge neutrality in the bulk of the material is mainly maintained by the oxidization of a portion of the oxygen ions from O 2- to O 1- . While oxygen vacancy formation is found to be thermodynamically favorable for x < 1, the activation barriers for O 2- and O 1- migration remain high throughout the Li composition range, impeding oxygen release from the bulk of the compound. Defect layered structures become thermodynamically favorable at lower Li content (x < 1), indicating a tendency towards the spinel-like structure transformation. A critical phase transformation path for forming nuclei of spinel-like domains within the matrix of the original layered structure is proposed. Formation of defect layered structures during the first charge is shown to manifest in a depression of the voltage profile on the first discharge, providing one possible explanation for the observed voltage fade of the Li-excess materials.

25 ENERGY STORAGE↗
NASA NTRS1987

Ray propagation path analysis of acousto-ultrasonic signals in composites

The most important result was the demonstration that acousto-ultrasonic (AU) energy introduced into a laminated graphite/resin propagates by two modes through the structure. The first mode, along the graphite fibers, is the faster. The second mode, through the resin matrix, besides being slower is also more strongly attenuated at the higher frequencies. This demonstration was accomplished by analyzing the time and frequency domain of the composite AU signal and comparing them to the same for a neat resin specimen of the same chemistry and geometry as the composite matrix. Analysis of the fine structure of AU spectra was accomplished by various geometrical strategies. It was shown that the multitude of narrow peaks associated with AU spectra are the effect of the many pulse arrivals in the signal. The shape and distribution of the peaks is mainly determined by the condition of nonnormal reflections of ray paths. A cepstrum analysis was employed which can be useful in detecting characteristic times. Analysis of propagation modes can be accomplished while ignoring the fine structure.

Kautz, Harold E.↗
DOE OSTI2023

Carbide-based fuel assembly for thermal propulsion applications

Carbide-based fuel assembly includes outer structural member of ceramic matrix composite material, the interior surface of which is lined in higher temperature regions with an insulation layer of porous refractory ceramic material. Continuous insulation layer extends the length of the fuel assembly or separate insulation layer sections have a thickness increasing step-wise along the length of the fuel assembly from upper (inlet) section towards bottom (outlet) section. A fuel element positioned inward of the insulation layer and between support meshes has a fuel composition including HALEU and the form of a plurality of individual elongated fuel bodies or one or more fuel monolith bodies containing coolant flow channels. Fuel assemblies are distributively arranged in a moderator block, with upper end of the outer structural member attached to an inlet for propellant and lower end of the outer structural member operatively interfaced with a nozzle forming a nuclear thermal propulsion reactor.

Barringer, Eric A.↗
DOE OSTI2016

On the way to enhance the optical absorption of a-Si in NIR by embedding Mg{sub 2}Si thin film

Mg{sub 2}Si thin film was embedded in amorphous silicon matrix by solid phase epitaxy. The structure and optical properties were investigated by electron energy loss, X-ray photoelectron, Raman, and photo thermal deflection spectroscopy measurements. It was found that in the photon energy range of 0.8–1.7 eV, the light absorption of the structure with magnesium silicide (Mg{sub 2}Si) film embedded in a-Si(i) matrix is 1.5 times higher than that for the same structure without Mg{sub 2}Si.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

High-pressure phase transitions in a laser directed energy deposited Fe-33Cu Alloy

Here, additively manufactured Fe-Cu alloys contain both equilibrium face-centered cubic (FCC) and metastable body-centered cubic (BCC) crystal structure Cu precipitates depending on their size. However, the stability of these nanoscale precipitates under extreme conditions such as high pressures has not been reported. This study investigates the phase transformations and microstructural stability of laser directed energy deposition (DED-LB) made Fe67Cu33 alloy (nominal composition in at.%) under high static pressure deformation using in-situ synchrotron X-ray diffraction under pressure, postmortem high-resolution scanning transmission electron microscopy (HR-STEM), and molecular dynamics (MD) simulations. In-situ XRD results reveal a reversible phase transformation from BCC to the hexagonal close-packed (HCP) structure in the Fe grains at an onset pressure of 16.4 GPa, significantly higher than reported in the literature for pure Fe. Although no high-pressure phase transition was observed in the FCC Cu grains through XRD, HR-STEM analysis uncovers a phase transition to the HCP structure in nanoscale metastable BCC Cu precipitates within the BCC Fe matrix. After decompression, the Fe matrix reverted back to the BCC structure with periodic lath martensite, while regions of the nanoscale BCC Cu precipitates retained the metastable HCP structure. MD simulations support the BCC → HCP transition in the embedded nanoscale coherent Cu precipitates, consistent with the classical Burgers mechanism. Thus, by leveraging in-situ XRD observation, postmortem high-resolution S/TEM microscopy, and MD simulations, this study offers profound insights into the distinctive phase transformations induced by high pressure in DED-LB Fe67Cu33 alloy, which is distinguished by its hierarchical microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An IIPG-based finite element framework in MOOSE for modeling fiber reinforced composite failure governed by extrinsic cohesive laws

Fiber reinforced composites (FRC) are widely applied to many important engineering structures such as silicon carbide ceramic matrix composite (SiC CMC) of nuclear fuel claddings. Many material and structure failures are initiated at the interface between two distinctive materials, such as the debonding of interfaces of matrix/fiber of composites or bulk matrix/inclusion in metals at micro-scales. Accurate and robust modeling of these interface failures is critical to the development of novel material and structure with improved functionality. This paper presents a discontinuous Galerkin (DG) finite element method based on the Incomplete Interior Penalty scheme and its implementation in MOOSE for modeling material interface behaviors. The proposed method naturally accommodates important extrinsic cohesive zone material models and is capable of modeling the failures of material interfaces across which material properties are highly distinctive. We demonstrate a good performance of the proposed method using single fiber and multiple fiber debonding problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1980

Dynamics of rotationally periodic large space structure

The analysis of large area rotationally periodic space structures presented in the paper combines the finite element method, transfer matrix procedures, approximation methods, and periodic structure analysis to obtain computational efficiency. The computations used in the analysis indicate that additive damping mechanisms can be evaluated from the frequency response of the structure. The transient response can also be obtained from the frequency response to complete the dynamic analysis.

Mcdaniel, T. J.↗
NASA NTRS1993

An analysis of fiber-matrix interface failure stresses for a range of ply stress states

A graphite/bismaleimide laminate was prepared without the usual fiber treatment and was tested over a wide range of stress states to measure its ply cracking strength. These tests were conducted using off-axis flexure specimens and produced fiber-matrix interface failure data over a correspondingly wide range of interface stress states. The absence of fiber treatment, weakened the fiber-matrix interfaces and allowed these tests to be conducted at load levels that did not yield the matrix. An elastic micromechanics computer code was used to calculate the fiber-matrix interface stresses at failure. Two different fiber-array models (square and diamond) were used in these calculations to analyze the effects of fiber arrangement as well as stress state on the critical interface stresses at failure. This study showed that both fiber-array models were needed to analyze interface stresses over the range of stress states. A linear equation provided a close fit to these critical stress combinations and, thereby, provided a fiber-matrix interface failure criterion. These results suggest that prediction procedures for laminate ply cracking can be based on micromechanics stress analyses and appropriate fiber-matrix interface failure criteria. However, typical structural laminates may require elastoplastic stress analysis procedures that account for matrix yielding, especially for shear-dominated ply stress states.

Crews, J. H.↗
NASA NTRS2004

Optical Sensors for Biomolecules Using Nanoporous Sol-Gel Materials

An important consideration for space missions to Mars is the ability to detect biosignatures. Solid-state sensing elements for optical detection of biological entities are possible using sol-gel based biologically active materials. We have used these materials as optical sensing elements in a variety of bioassays, including immunoassays and enzyme assays. By immobilizing an appropriate biomolecule in the sol-gel sensing element, we have successfully detected analytes such as amino acids and hormones. In the case of the amino acid glutamate, the enzyme glutamate dehydrogenase was the immobilized molecule, whereas in the case of the hormone cortisol, an anti-cortisol antibody was immobilized in the sensing element. In this previous work with immobilized enzymes and antibodies, excellent sensitivity and specificity were demonstrated in a variety of formats including bulk materials, thin films and fibers. We believe that the sol-gel approach is an attractive platform for bioastronautics sensing applications because of the ability to detect a wide range of entities such as amino acids, fatty acids, hopanes, porphyrins, etc. The sol-gel approach produces an optically transparent 3D silica matrix that forms around the biomolecule of interest, thus stabilizing its structure and functionality while allowing for optical detection. This encapsulation process protects the biomolecule and leads to a more "rugged" sensor. The nanoporous structure of the sol-gel matrix allows diffusion of small target molecules but keeps larger, biomolecules immobilized in the pores. We are currently developing these biologically active sol-gel materials into small portable devices for on-orbit cortisol detection

Fang, Jonathan↗
DOE OSTI2019

A chloride ring is an ancient evolutionary innovation mediating the assembly of the collagen IV scaffold of basement membranes

Collagen IV scaffold is a principal component of the basement membrane (BM), a specialized extracellular matrix that is essential for animal multicellularity and tissue evolution. Scaffold assembly begins with the trimerization of α-chains into protomers inside the cell, which then are secreted and undergo oligomerization outside the cell. For the ubiquitous scaffold composed of α1- and α2-chains, both intracellular and extracellular stages are mediated by the noncollagenous domain (NC1). The association of protomers is chloride-dependent, whereby chloride ions induce interactions of the protomers' trimeric NC1 domains leading to NC1 hexamer formation. Here, we investigated the mechanisms, kinetics, and functionality of the chloride ion-mediated protomer assembly by using a single-chain technology to produce a stable NC1 trimer comprising α1, α2, and α1 NC1 monomers. We observed that in the presence of chloride, the single-chain NC1-trimer self-assembles into a hexamer, for which the crystal structure was determined. We discovered that a chloride ring, comprising 12 ions, induces the assembly of and stabilizes the NC1 hexamer. Furthermore, we found that the chloride ring is evolutionarily conserved across all animals, first appearing in cnidarians. These findings reveal a fundamental role for the chloride ring in the assembly of collagen IV scaffolds of BMs, a critical event enabling tissue evolution and development. Moreover, the single-chain technology is foundational for generating trimeric NC1 domains of other α-chain compositions to investigate the α121, α345, and α565 collagen IV scaffolds and to develop therapies for managing Alport syndrome, Goodpasture's disease, and cancerous tumor growth.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Lowest-energy broad 𝛼-cluster resonances in 19 F

There is strong astrophysical interest in the structure of 19 F states near the α-decay threshold, as their properties are important for understanding the development of α clustering in the 20 Ne region. The emergence of clustered states, and more generally of states that couple strongly to reaction channels near their decay thresholds, is also a topic of current interest in theoretical nuclear physics. In this work, we determine the parameters of broad low-spin states in 19 F near the α-decay threshold and present a theoretical study of these states. The analysis is restricted to ℓ = 0 and 1 resonances in the α + 15 N system close to the α threshold in 19 F. Excitation functions for 15 N(α,α) elastic scattering were measured using the Thick Target Inverse Kinematics (TTIK) method, and these new data, together with older high–energy-resolution measurements, were analyzed within the R-matrix framework. The nuclear structure of 19 F was calculated using configuration-interaction methods with a recently developed effective interaction Hamiltonian. As a result, we identify a sequence of α-cluster resonances in 19 F and map the distribution of clustering strength, which is relevant for astrophysical reaction modeling and for the theoretical understanding of many-body dynamics and the emergence of clustering in loosely bound or unstable nuclei. Furthermore, the work advances theoretical insight into the origins of clustering and highlights open questions for future theoretical and experimental studies.

19F↗
NASA NTRS1997

A Novel Microcharacterization Technique in the Measurement of Strain and Orientation Gradient in Advanced Materials

Representation of morphology and evolution of the microstructure during processing and their relation to properties requires proper experimental techniques. Residual strains, lattice distortion, and texture (micro-texture) at the interface and the matrix of a layered structure or a functionally gradient material and their variation are among parameters important in materials characterization but hard to measure with present experimental techniques. Current techniques available to measure changes in interred material parameters (residual stress, micro-texture, microplasticity) produce results which are either qualitative or unreliable. This problem becomes even more complicated in the case of a temperature variation. These parameters affect many of the mechanical properties of advanced materials including stress-strain relation, ductility, creep, and fatigue. A review of some novel experimental techniques using recent advances in electron microscopy is presented here to measure internal stress, (micro)texture, interracial strength and (sub)grain formation and realignment. Two of these techniques are combined in the chamber of an Environmental Scanning Electron Microscope to measure strain and orientation gradients in advanced materials. These techniques which include Backscattered Kikuchi Diffractometry (BKD) and Microscopic Strain Field Analysis are used to characterize metallic and intermetallic matrix composites and superplastic materials. These techniques are compared with the more conventional x-ray diffraction and indentation techniques.

Garmestai, H.↗
NASA NTRS1993

Probabilistic assessment of composite structures

A general computational simulation methodology for an integrated probabilistic assessment of composite structures is discussed and demonstrated using aircraft fuselage (stiffened composite cylindrical shell) structures with rectangular cutouts. The computational simulation was performed for the probabilistic assessment of the structural behavior including buckling loads, vibration frequencies, global displacements, and local stresses. The scatter in the structural response is simulated based on the inherent uncertainties in the primitive (independent random) variables at the fiber matrix constituent, ply, laminate, and structural scales that describe the composite structures. The effect of uncertainties due to fabrication process variables such as fiber volume ratio, void volume ratio, ply orientation, and ply thickness is also included. The methodology has been embedded in the computer code IPACS (Integrated Probabilistic Assessment of Composite Structures). In addition to the simulated scatter, the IPACS code also calculates the sensitivity of the composite structural behavior to all the primitive variables that influence the structural behavior. This information is useful for assessing reliability and providing guidance for improvement. The results from the probabilistic assessment for the composite structure with rectangular cutouts indicate that the uncertainty in the longitudinal ply stress is mainly caused by the uncertainty in the laminate thickness, and the large overlap of the scatter in the first four buckling loads implies that the buckling mode shape for a specific buckling load can be either of the four modes.

Shiao, Michael E.↗
DOE OSTI2020

Structure formation in turbulence as an instability of effective quantum plasma

Structure formation in turbulence can be understood as an instability of “plasma” formed by fluctuations serving as effective particles. These “particles” are quantumlike in the sense that their wavelengths are non-negligible compared to the sizes of background coherent structures. The corresponding “kinetic equation” describes the Wigner matrix of the turbulent field, and the coherent structures serve as collective fields. This formalism is usually applied to manifestly quantumlike or scalar waves. Here, we show how to systematically extend it to more complex systems using compressible Navier–Stokes turbulence as an example. In this case, the fluctuation Hamiltonian is a five-dimensional matrix operator and diverse modulational modes are present. As an illustration, we calculate these modes for a sinusoidal shear flow and find two modulational instabilities. One of them is specific to supersonic flows, and the other one is a Kelvin–Helmholtz-type instability that is a generalization of the known zonostrophic instability. Our calculations are readily extendable to other types of turbulence, for example, magnetohydrodynamic turbulence in plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Random Matrix Theory in Cd isotopes

Random matrix theory (RMT) is used to provide a measure of the chaoticity (q) of calculated results for the spectra for various Cd isotopes. Here, the goal is to gain a better understanding of the internal dynamics in play; namely, whether it tracks with regular or irregular (chaotic) behavior as determined through an RMT analyses of calculated spectra. The basis-state configurations used to determine the spectra includes all positive, negative, natural (J π = 1 – , 2 + , ...), and unnatural parity configurations (J π = 0 – , 1 + , 2 – , ...), unless suppressed for comparative purposes. The results show that when intruder-state configurations are in play, regular behavior emerges, but when not in play, chaotic behavior seems to dominate the dynamics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1991

Experimental and analytical analysis of stress-strain behavior in a (90/0 deg)2s, SiC/Ti-15-3 laminate

The nonlinear stress strain behavior of 90 degree/0 degree sub 2s, SiC/Ti-15-3 composite laminate was numerically investigated with a finite element, unit cell approach. Tensile stress-strain curves from room temperature experiments depicted three distinct regions of deformation, and these regions were predicted by finite element analysis. The first region of behavior, which was linear elastic, occurred at low applied stresses. As applied stresses increased, fiber/matrix debonding in the 90 degree plies caused a break in the stress-strain curve and initiated a second linear region. In this second region, matrix plasticity in the 90 degree plies developed. The third region, which was typified by nonlinear, stress-strain behavior occr red at high stresses. In this region, the onset of matrix plasticity in the 0 degree plies stiffened the laminate in the direction transverse to the applied load. Metallographic sections confirmed the existence of matrix plasticity in specific areas of the structure. Finite element analysis also predicted these locations of matrix slip.

Lerch, Bradley A.↗
DOE OSTI2015

Correlation functions from a unified variational principle: Trial Lie groups

Time-dependent expectation values and correlation functions for many-body quantum systems are evaluated by means of a unified variational principle. It optimizes a generating functional depending on sources associated with the observables of interest. It is built by imposing through Lagrange multipliers constraints that account for the initial state (at equilibrium or off equilibrium) and for the backward Heisenberg evolution of the observables. The trial objects are respectively akin to a density operator and to an operator involving the observables of interest and the sources. We work out here the case where trial spaces constitute Lie groups. This choice reduces the original degrees of freedom to those of the underlying Lie algebra, consisting of simple observables; the resulting objects are labeled by the indices of a basis of this algebra. Explicit results are obtained by expanding in powers of the sources. Zeroth and first orders provide thermodynamic quantities and expectation values in the form of mean-field approximations, with dynamical equations having a classical Lie–Poisson structure. At second order, the variational expression for two-time correlation functions separates–as does its exact counterpart–the approximate dynamics of the observables from the approximate correlations in the initial state. Two building blocks are involved: (i) a commutation matrix which stems from the structure constants of the Lie algebra; and (ii) the second-derivative matrix of a free-energy function. The diagonalization of both matrices, required for practical calculations, is worked out, in a way analogous to the standard RPA. The ensuing structure of the variational formulae is the same as for a system of non-interacting bosons (or of harmonic oscillators) plus, at non-zero temperature, classical Gaussian variables. This property is explained by mapping the original Lie algebra onto a simpler Lie algebra. The results, valid for any trial Lie group, fulfill consistency properties and encompass several special cases: linear responses, static and time-dependent fluctuations, zero- and high-temperature limits, static and dynamic stability of small deviations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗