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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Nonlinear random response prediction using MSC/NASTRAN

An equivalent linearization technique was incorporated into MSC/NASTRAN to predict the nonlinear random response of structures by means of Direct Matrix Abstract Programming (DMAP) modifications and inclusion of the nonlinear differential stiffness module inside the iteration loop. An iterative process was used to determine the rms displacements. Numerical results obtained for validation on simple plates and beams are in good agreement with existing solutions in both the linear and linearized regions. The versatility of the implementation will enable the analyst to determine the nonlinear random responses for complex structures under combined loads. The thermo-acoustic response of a hexagonal thermal protection system panel is used to highlight some of the features of the program.

Robinson, J. H.↗
DOE OSTI2022

Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network

In this work, time-independent quantum response calculations are performed using Tensor cores. This is achieved by mapping density matrix perturbation theory onto the computational structure of a deep neural network. The main computational cost of each deep layer is dominated by tensor contractions, i.e., dense matrix–matrix multiplications, in mixed-precision arithmetics, which achieves close to peak performance. Quantum response calculations are demonstrated and analyzed using self-consistent charge density-functional tight-binding theory as well as coupled-perturbed Hartree–Fock theory. For linear response calculations, a novel parameter-free convergence criterion is presented that is well-suited for numerically noisy low-precision floating point operations and we demonstrate a peak performance of almost 200 Tflops using the Tensor cores of two Nvidia A100 GPUs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

Some recent advances in numerical methods in structural dynamics

The purpose of this paper is to present some recent developments in the area of numerical dynamic analysis of large structural systems. The first part of the paper is devoted to the finite dynamic element method, a new concept in the discretization of a continuum, the adoption of which effects considerable reduction in the number of degrees of freedom for a required solution accuracy, when compared with the usual finite element method. This is followed by a brief description of eigenproblem solution techniques, for the free vibration analysis of both rotating and nonrotating structures, that fully exploit the associated matrix sparsity. Together, these techniques constitute a powerful tool for the free vibration and subsequent dynamic response analysis of complex practical structures.

Gupta, K. K.↗
NASA NTRS1984

Proposed structures for poorly characterized phases in C2M carbonaceous chondrite meteorites

A recent investigation of C2M carbonaceous chondrite meteorite matrices using electron microscopy and High-Resolution Transmission Electron Microscopy (HRTEM) has provided data on the structure and chemistry of Poorly Characterized Phases (PCP). It is suggested that a dominant matrix variety (10 A PCP) has a structure equivalent to iron-rich tochinilite (6Fe0.9S5/Fe, Mg//OHO2/), which consists of coherently intrastratified mackinawite and brucite sheets. In addition, it is proposed that 17 A PCP is a commensurate intergrowth of serpentine and tochinilite layers. Various forms of PCP observed in carbonaceous chondrites appear to be intergrowths of tochinilite, serpentine, and tochinilite-serpentine minerals.

Mackinnon, I. D. R.↗
NASA NTRS1987

Controller design via structural reduced modeling by FETM

The Finite Element-Transfer Matrix (FETM) method has been developed to reduce the computations involved in analysis of structures. This widely accepted method, however, has certain limitations, and does not address the issues of control design. To overcome these, a modification of the FETM method has been developed. The new method easily produces reduced models tailored toward subsequent control design. Other features of this method are its ability to: (1) extract open loop frequencies and mode shapes with less computations, (2) overcome limitations of the original FETM method, and (3) simplify the design procedures for output feedback, constrained compensation, and decentralized control. This report presents the development of the new method, generation of reduced models by this method, their properties, and the role of these reduced models in control design. Examples are included to illustrate the methodology.

Yousuff, Ajmal↗
NASA NTRS2016

Stochastic-Strength-Based Damage Simulation of Ceramic Matrix Composite Laminates

The Finite Element Analysis-Micromechanics Analysis Code/Ceramics Analysis and Reliability Evaluation of Structures (FEAMAC/CARES) program was used to characterize and predict the progressive damage response of silicon-carbide-fiber-reinforced reaction-bonded silicon nitride matrix (SiC/RBSN) composite laminate tensile specimens. Studied were unidirectional laminates [0] (sub 8), [10] (sub 8), [45] (sub 8), and [90] (sub 8); cross-ply laminates [0 (sub 2) divided by 90 (sub 2),]s; angled-ply laminates [plus 45 (sub 2) divided by -45 (sub 2), ]s; doubled-edge-notched [0] (sub 8), laminates; and central-hole laminates. Results correlated well with the experimental data. This work was performed as a validation and benchmarking exercise of the FEAMAC/CARES program. FEAMAC/CARES simulates stochastic-based discrete-event progressive damage of ceramic matrix composite and polymer matrix composite material structures. It couples three software programs: (1) the Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC), (2) the Ceramics Analysis and Reliability Evaluation of Structures Life Prediction Program (CARES/Life), and (3) the Abaqus finite element analysis program. MAC/GMC contributes multiscale modeling capabilities and micromechanics relations to determine stresses and deformations at the microscale of the composite material repeating-unit-cell (RUC). CARES/Life contributes statistical multiaxial failure criteria that can be applied to the individual brittle-material constituents of the RUC, and Abaqus is used to model the overall composite structure. For each FEAMAC/CARES simulation trial, the stochastic nature of brittle material strength results in random, discrete damage events that incrementally progress until ultimate structural failure.

composite structures↗
DOE OSTI2025

Structure and Sulfur: Tuning the Viscoelastic and Surface Properties of Natural Keratin Fibers

Natural keratin fibers, such as wool, possess a complex hierarchical structure that governs their mechanical properties and surface energy. However, the extent to which these characteristics are influenced by combined contributions of structural variations (e.g., fiber diameter, intermediate filament (IF) packing) and chemical composition (e.g., disulfide bond density) remains poorly understood. In this study, we investigate wool fibers from five sheep breeds (Merino, Polwarth, Cheviot, Eider, and Devon) to elucidate how these factors influence viscoelasticity and surface interactions. Using a multimodal approach integrating interfacial and bulk characterization methods, including inverse gas chromatography (IGC), atomic force microscopy-infrared spectroscopy (AFM-IR), X-ray photoelectron spectroscopy (XPS), uniaxial tensile testing, and synchrotron small-angle X-ray scattering (SAXS), we show that the nanometer-thick 18-methyleicosanoic acid (18-MEA) layer is consistently present across all wool types and plays a key role in governing hydrophobicity and surface heterogeneity. A controlled isothermal treatment at 200 °C, designed to cleave disulfide bonds, results in a nearly 40% reduction in specific surface area across all fiber types, accompanied by a significant decrease in tensile strength and 80% reduction in elongation at break for Merino and Devon wool, but limited influence on the mechanical properties of Eider fibers. Furthermore, rate-dependent tensile testing within the elastic regime reveals distinct viscoelastic responses among the fiber types, suggesting that the sulfur-rich protein matrix surrounding IFs and its structure contribute actively to stress partitioning. Altogether, when combined with conclusions from SAXS measurements of IF spacing, our work offers compelling insights into the role of the keratin-associated protein (KAP) matrix in shaping wool fiber mechanics. Differences in mechanical behavior among wool types, despite similar IF spacing or sulfur content, highlight the importance of matrix composition and cross-linking density, suggesting that the molecular architecture of the KAP network may be a dominant factor in determining fiber performance.

X-ray scattering↗
DOE OSTI2013

Formation and characterization of microstructure of as-cast Mg–6Gd–4Y–xZn–0.5Zr (x = 0.3, 0.5 and 0.7 wt.%) alloys

Mg–6Gd–4Y–xZn–0.5Zr (x = 0.3, 0.5 and 0.7 wt.%) alloys were prepared via conventional ingot metallurgy (I/M) in this study. The as-cast microstructures of these alloys were established by X-ray diffraction (XRD) analyses, optical microscope (OM), scanning electron microscope (SEM) and transmission electron microscope (TEM) observations. Lamellar stacking order (SF) and 14H-type long period stacking order (LPSO) structure within α-Mg matrix are formed in the three as-cast alloys. The eutectic secondary phase is (Mg,Zn){sub 24}(Gd,Y){sub 5} for the alloy containing 0.3 wt.% Zn, while, it is (Mg,Zn){sub 3}(Gd,Y) for the alloys containing 0.5 wt.% Zn and 0.7 wt.% Zn. Moreover, X phase-(Mg,Zn){sub 12}(Gd,Y) is formed in the latter two as-cast alloys. - Highlights: • LPSO structure has first been found in as-cast Mg–6Gd–4Y–xZn–0.5Zr. • X-phase exists in as-cast Mg–6Gd–4Y–0.3(0.5)Zn–0.5Zr. • Zn content results in different β-phase in the studied alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Novel self-assembled two-dimensional layered oxide structure incorporated with Au nanoinclusions towards multifunctionalities

Two-dimensional (2D) layered oxides have recently attracted wide attention owing to the strong coupling among charges, spins, lattice, and strain, which allows great flexibility and opportunities in structure designs as well as multifunctionality exploration. In parallel, plasmonic hybrid nanostructures exhibit exotic localized surface plasmon resonance (LSPR) providing a broad range of applications in nanophotonic devices and sensors. A hybrid material platform combining the unique multifunctional 2D layered oxides and plasmonic nanostructures brings optical tuning into the new level. Here, a novel self-assembled Bi 2 MoO 6 (BMO) 2D layered oxide incorporated with plasmonic Au nanoinclusions has been demonstrated via one-step pulsed laser deposition (PLD) technique. Comprehensive microstructural characterizations, including scanning transmission electron microscopy (STEM), differential phase contrast imaging (DPC), and STEM tomography, have demonstrated the high epitaxial quality and particle-in-matrix morphology of the BMO-Au nanocomposite film. DPC-STEM imaging clarifies the magnetic domain structures of BMO matrix. Three different BMO structures including layered supercell (LSC) and superlattices have been revealed which is attributed to the variable strain states throughout the BMO-Au film. Owing to the combination of plasmonic Au and layered structure of BMO, the nanocomposite film exhibits a typical LSPR in visible wavelength region and strong anisotropy in terms of its optical and ferromagnetic properties. This study opens a new avenue for developing novel 2D layered complex oxides incorporated with plasmonic metal or semiconductor phases showing great potential for applications in multifunctional nanoelectronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Generalized graph states based on Hadamard matrices

Graph states are widely used in quantum information theory, including entanglement theory, quantum error correction, and one-way quantum computing. Graph states have a nice structure related to a certain graph, which is given by either a stabilizer group or an encoding circuit, both can be directly given by the graph. To generalize graph states, whose stabilizer groups are abelian subgroups of the Pauli group, one approach taken is to study non-abelian stabilizers. In this work, we propose to generalize graph states based on the encoding circuit, which is completely determined by the graph and a Hadamard matrix. We study the entanglement structures of these generalized graph states and show that they are all maximally mixed locally. We also explore the relationship between the equivalence of Hadamard matrices and local equivalence of the corresponding generalized graph states. This leads to a natural generalization of the Pauli (X, Z) pairs, which characterizes the local symmetries of these generalized graph states. Our approach is also naturally generalized to construct graph quantum codes which are beyond stabilizer codes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2011

Technique for Solving Electrically Small to Large Structures for Broadband Applications

Fast iterative algorithms are often used for solving Method of Moments (MoM) systems, having a large number of unknowns, to determine current distribution and other parameters. The most commonly used fast methods include the fast multipole method (FMM), the precorrected fast Fourier transform (PFFT), and low-rank QR compression methods. These methods reduce the O(N) memory and time requirements to O(N log N) by compressing the dense MoM system so as to exploit the physics of Green s Function interactions. FFT-based techniques for solving such problems are efficient for spacefilling and uniform structures, but their performance substantially degrades for non-uniformly distributed structures due to the inherent need to employ a uniform global grid. FMM or QR techniques are better suited than FFT techniques; however, neither the FMM nor the QR technique can be used at all frequencies. This method has been developed to efficiently solve for a desired parameter of a system or device that can include both electrically large FMM elements, and electrically small QR elements. The system or device is set up as an oct-tree structure that can include regions of both the FMM type and the QR type. The system is enclosed with a cube at a 0- th level, splitting the cube at the 0-th level into eight child cubes. This forms cubes at a 1st level, recursively repeating the splitting process for cubes at successive levels until a desired number of levels is created. For each cube that is thus formed, neighbor lists and interaction lists are maintained. An iterative solver is then used to determine a first matrix vector product for any electrically large elements as well as a second matrix vector product for any electrically small elements that are included in the structure. These matrix vector products for the electrically large and small elements are combined, and a net delta for a combination of the matrix vector products is determined. The iteration continues until a net delta is obtained that is within the predefined limits. The matrix vector products that were last obtained are used to solve for the desired parameter. The solution for the desired parameter is then presented to a user in a tangible form; for example, on a display.

Jandhyala, Vikram↗
DOE OSTI2013

SCEDS: protein fragments for molecular replacement in Phaser

Protein fragments suitable for use in molecular replacement can be generated by normal-mode perturbation, analysis of the difference distance matrix of the original versus normal-mode perturbed structures, and SCEDS, a score that measures the sphericity, continuity, equality and density of the resulting fragments. A method is described for generating protein fragments suitable for use as molecular-replacement (MR) template models. The template model for a protein suspected to undergo a conformational change is perturbed along combinations of low-frequency normal modes of the elastic network model. The unperturbed structure is then compared with each perturbed structure in turn and the structurally invariant regions are identified by analysing the difference distance matrix. These fragments are scored with SCEDS, which is a combined measure of the sphericity of the fragments, the continuity of the fragments with respect to the polypeptide chain, the equality in number of atoms in the fragments and the density of C{sup α} atoms in the triaxial ellipsoid of the fragment extents. The fragment divisions with the highest SCEDS are then used as separate template models for MR. Test cases show that where the protein contains fragments that undergo a change in juxtaposition between template model and target, SCEDS can identify fragments that lead to a lower R factor after ten cycles of all-atom refinement with REFMAC5 than the original template structure. The method has been implemented in the software Phaser.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Computational Materials Research

High temperature thermoplastic polyimide polymers are incorporated in engineering structures in the form of matrix materials in advanced fiber composites and adhesives in bonded joints. Developing analytical tools to predict long term performance and screen for final materials selection for polymers is the impetus for intensive studies at NASA and major industry based airframe developers. These fiber-reinforced polymeric composites (FRPCs) combine high strength with lightweight. In addition, they offer corrosion and fatigue resistance, a reduction in parts count, and new possibilities for control through aeroelastic tailoring and "smart" structures containing fully-integrated sensors and actuators. However, large-scale acceptance and use of polymer composites has historically been extremely slow. Reasons for this include a lack of familiarity of designers with the materials; the need for new tooling and new inspection and repair infrastructures; and high raw materials and fabrication costs.

Veazie, David R.↗
NASA NTRS2003

Effects of Fiber Reinforcement Architecture on the Hygrothermal-Mechanical Performance of Polyimide Matrix Composites for Aeropropulsion Applications

A lightweight sandwich support structure, for the combustor chamber of a new generation liquid propellant rocket engine, was designed and fabricated using a polymer matrix composite (PMC) facesheet on a Ti honeycomb core. The PMC facesheet consisted of high stiffness carbon fiber, M40JB, and high temperature Polyimides, such as PMR-II-50 and HFPE-II-52. Six different fiber architectures; four harness satin (4HS) woven fabric, uni-tape, woven-uni hybrid, stitched woven fabric, stitched uni-tape and triaxial braided structures have been investigated for optimum stiffness-thickness-weight-hygrothermal performance design criteria for the hygrothermal-mechanical propulsion service exposure conditions including rapid heating up to 200 F/sec, maximum operating temperature of 600 F, internal pressure up to 100 psi. One of the specific objectives in this study is to improve composite blistering resistance in z-direction at minimum expense of in-plane mechanical properties. An extensive property-performance database including dry-wet mechanical properties at various temperatures, thermal-physical properties, such as blistering onset condition was generated for fiber architecture down-selection and design guidelines. Various optimized process methods such as vacuum bag compression molding, solvent assistant resin transfer molding (SaRTM), resin film infusion (RFI) and autoclaving were utilized for PMC panel fabrication depending on the architecture type. In the case of stitched woven fabric architecture, the stitch pattern in terms of stitch density and yarn size was optimized based on both in-plane mechanical properties and blistering performance. Potential reduction of the in-plane properties transverse to the line of stitching was also evaluated. Efforts have been made to correlate the experimental results with theoretical micro-mechanics predictions. Changes in deformation mechanism and failure sequences in terms of fiber architecture will be discussed.

Shin, E. Eugene↗
DOE OSTI2014

Large $N$ approach to kaon decays and mixing 28 years later: $\Delta I = 1/2$ rule, $\hat B_K$ and $\Delta M_K$

We review and update our results for K → π π decays and K⁰- K¯⁰ mixing obtained by us in the 1980s within an approach based on the dual representation of QCD as a theory of weakly interacting mesons for large N colours. In our analytic approach the dynamics behind the enhancement of ReA 0 and suppression of ReA 2 , the so-called ΔI = 1/2 rule for K → π π decays, has a simple structure: the usual octet enhancement through quark-gluon renormalization group evolution down to the scales O(1 GeV) is continued as a meson evolution down to zero momentum scales at which the factorization of hadronic matrix elements is at work. The inclusion of lowest-lying vector meson contributions in addition to the pseudoscalar ones and of Wilson coefficients in a momentum scheme improves significantly the matching between quark-gluon and meson evolutions. In particular, the anomalous dimension matrix governing the meson evolution exhibits the structure of the known anomalous dimension matrix in the quark-gluon evolution. The recent results on ReA 2 and ReA 0 from the RBC-UKQC collaboration give support for our approach. In particular, the signs of the two main contractions found numerically by these authors follow uniquely from our analytic approach. At NLO in 1/N we obtain R = ReA 0 /ReA 2 = 16.0±1.5 which amounts to an order of magnitude enhancement over the strict large N limit value √2. QCD penguins contribute at 15% level to this result. We also find B^ K = 0.73± 0.02, with the smallness of 1/N corrections to the large N value B^ K = 3/4 resulting within our approach from an approximate cancellation between pseudoscalar and vector meson one-loop contributions. We summarize the status of ΔM K in this approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

A sparse matrix–vector multiplication based algorithm for accurate density matrix computations on systems of millions of atoms

Here we present an efficient sparse matrix–vector (SpMV) based method to compute the density matrix P from a given Hamiltonian in electronic structure computations. Our method is a hybrid approach based on Chebyshev–Jackson approximation theory and matrix purification methods like the second order spectral projection purification (SP2). Recent methods to compute the density matrix scale as O(N) in the number of floating point operations but are accompanied by large memory and communication overhead, and they are based on iterative use of the sparse matrix–matrix multiplication kernel (SpGEMM), which is known to be computationally irregular. In addition to irregularity in the sparse Hamiltonian H, the nonzero structure of intermediate estimates of P depends on products of H and evolves over the course of computation. On the other hand, an expansion of the density matrix P in terms of Chebyshev polynomials is straightforward and SpMV based; however, the resulting density matrix may not satisfy the required constraints exactly. In this paper, we analyze the strengths and weaknesses of the Chebyshev–Jackson polynomials and the second order spectral projection purification (SP2) method, and propose to combine them so that the accurate density matrix can be computed using the SpMV computational kernel only, and without having to store the density matrix P. Our method accomplishes these objectives by using the Chebyshev polynomial estimate as the initial guess for SP2, which is followed by using sparse matrix–vector multiplications (SpMVs) to replicate the behavior of the SP2 algorithm for purification. We demonstrate the method on a tight-binding model system of an oxide material containing more than 3 million atoms. In addition, we also present the predicted behavior of our method when applied to near-metallic Hamiltonians with a wide energy spectrum.

42 ENGINEERING↗
DOE OSTI2015

Successful N{sub 2} leptogenesis with flavour coupling effects in realistic unified models

In realistic unified models involving so-called SO(10)-inspired patterns of Dirac and heavy right-handed (RH) neutrino masses, the lightest right-handed neutrino N{sub 1} is too light to yield successful thermal leptogenesis, barring highly fine tuned solutions, while the second heaviest right-handed neutrino N{sub 2} is typically in the correct mass range. We show that flavour coupling effects in the Boltzmann equations may be crucial to the success of such N{sub 2} dominated leptogenesis, by helping to ensure that the flavour asymmetries produced at the N{sub 2} scale survive N{sub 1} washout. To illustrate these effects we focus on N{sub 2} dominated leptogenesis in an existing model, the A to Z of flavour with Pati-Salam, where the neutrino Dirac mass matrix may be equal to an up-type quark mass matrix and has a particular constrained structure. The numerical results, supported by analytical insight, show that in order to achieve successful N{sub 2} leptogenesis, consistent with neutrino phenomenology, requires a “flavour swap scenario” together with a less hierarchical pattern of RH neutrino masses than naively expected, at the expense of some mild fine-tuning. In the considered A to Z model neutrino masses are predicted to be normal ordered, with an atmospheric neutrino mixing angle well into the second octant and the Dirac phase δ≃20{sup ∘}, a set of predictions that will be tested in the next years in neutrino oscillation experiments. Flavour coupling effects may be relevant for other SO(10)-inspired unified models where N{sub 2} leptogenesis is necessary.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

Ion beam induced effects on the ferromagnetism in Pd nanoparticles

Present study demonstrates the role of metal-insulator interface and ion irradiation induced defects on the ferromagnetic properties of the non-magnetic materials. Magnetic properties of the Pd nanoparticles(NPs) embedded in the a-silica matrix synthesized using atom beam sputtering technique, were determined using SQUID magnetometry measurements which showed that ferromagnetic response of Pd increased by 3.5 times on swift heavy ion(SHI) irradiation. The ferromagnetic behavior of the as-deposited Pd NPs is due to strain induced by the surrounding matrix and modification in the electronic structure at the Pd-silica interface as revealed by insitu XRD and XPS investigations, respectively. The defects created by the SHI bombardment are responsible for enhancement of the magnetization in the Pd NPs.

36 MATERIALS SCIENCE↗