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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Role of vertex corrections in the matrix formulation of the random phase approximation for the multiorbital Hubbard model

In the framework of a multiorbital Hubbard model description of superconductivity, a matrix formulation of the superconducting pairing interaction that has been widely used is designed to treat spin, charge, and orbital fluctuations within a random phase approximation (RPA). In terms of Feynman diagrams, this takes into account particle-hole ladder and bubble contributions as expected. It turns out, however, that this matrix formulation also generates additional terms which have the diagrammatic structure of vertex corrections. Furthermore we examine these terms and discuss the relationship between the matrix-RPA superconducting pairing interaction and the Feynman diagrams that it sums.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

Waveform Based Acoustic Emission Detection and Location of Matrix Cracking in Composites

The operation of damage mechanisms in a material or structure under load produces transient acoustic waves. These acoustic waves are known as acoustic emission (AE). In composites they can be caused by a variety of sources including matrix cracking, fiber breakage, and delamination. AE signals can be detected and analyzed to determine the location of the acoustic source by triangulation. Attempts are also made to analyze the signals to determine the type and severity of the damage mechanism. AE monitoring has been widely used for both laboratory studies of materials, and for testing the integrity of structures in the field. In this work, an advanced, waveform based AE system was used in a study of transverse matrix cracking in cross-ply graphite/epoxy laminates. This AE system featured broad band, high fidelity sensors, and high capture rate digital acquisition and storage of acoustic signals. In addition, analysis techniques based on plate wave propagation models were employed. These features provided superior source location and noise rejection capabilities.

Prosser, W. H.↗
DOE OSTI2014

Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

2nd Generation RLV Airframe Structures and Materials

The goals and objectives of the project summarized in this viewgraph presentation are the following: (1) Develop and demonstrate verified airframe and cryotank structural design and analysis technologies, including damage tolerance, safety, reliability, and residual strength technologies, robust nonlinear shell and cryotank analysis technologies, high-fidelity analysis and design technologies for local structural detail features and joints, and high-fidelity analysis technologies for sandwich structures; (2) Demonstrate low cost, robust materials and processing, including polymeric matrix composite (PMC) and metallic materials and processing, and refractory composite and metallic hot structures materials and processing; (3) Develop and demonstrate robust airframe structures and validated integrated airframe structural concepts, including low cost fabrication and joining, operations efficient designs and inspection techniques (non-destructive evaluation), scale-up and integrated thermal structure tests, and airframe structures IVHM; (4) Demonstrate low cost, robust repair techniques; and (5) Develop verified integrated airframe structural concepts, including integrated structural concepts.

Johnson, Theodore F.↗
DOE OSTI2025

Structured interactions drive abrupt transitions in the spatial organization of microbial communities

Bacteria possess diverse mechanisms to regulate their motility in response to environmental and physiological signals, enabling them to navigate complex habitats and adapt their behavior. Some of these mechanisms are species specific and enable cells to modulate their movement based on the ecological identity of neighboring species. Here, we introduce a model in which bacteria interact via local signals that either enhance or suppress the motility of neighboring cells depending on species type. Through large-scale simulations and a coarse-grained stochastic model, we demonstrate the emergence of a sharp transition driven by nucleation processes: increasing the density of motility-suppressing interactions drives the system from a fully mixed, motile phase to a state characterized by large, stationary bacterial clusters. Remarkably, in systems with a large number of interacting species, this transition can be triggered solely by altering the structure of the motility-regulation interaction matrix while maintaining species and interaction densities constant. In particular, we find that heterogeneous and modular interactions promote the transition more readily than homogeneous random ones. These findings add a dimension to the theory of motility-induced phase separation and contribute to the ongoing effort to understand microbial interactions, suggesting that structured, nonrandom ones may be key to reproducing commonly observed spatial patterns in microbial communities.

bacterial communities↗
NASA NTRS1993

Advanced composite fuselage technology

Boeing's ATCAS program has completed its third year and continues to progress towards a goal to demonstrate composite fuselage technology with cost and weight advantages over aluminum. Work on this program is performed by an integrated team that includes several groups within The Boeing Company, industrial and university subcontractors, and technical support from NASA. During the course of the program, the ATCAS team has continued to perform a critical review of composite developments by recognizing advances in metal fuselage technology. Despite recent material, structural design, and manufacturing advancements for metals, polymeric matrix composite designs studied in ATCAS still project significant cost and weight advantages for future applications. A critical path to demonstrating technology readiness for composite transport fuselage structures was created to summarize ATCAS tasks for Phases A, B, and C. This includes a global schedule and list of technical issues which will be addressed throughout the course of studies. Work performed in ATCAS since the last ACT conference is also summarized. Most activities relate to crown quadrant manufacturing scaleup and performance verification. The former was highlighted by fabricating a curved, 7 ft. by 10 ft. panel, with cocured hat-stiffeners and cobonded J-frames. In building to this scale, process developments were achieved for tow-placed skins, drape formed stiffeners, braided/RTM frames, and panel cure tooling. Over 700 tests and supporting analyses have been performed for crown material and design evaluation, including structural tests that demonstrated limit load requirements for severed stiffener/skin failsafe damage conditions. Analysis of tests for tow-placed hybrid laminates with large damage indicates a tensile fracture toughness that is higher than that observed for advanced aluminum alloys. Additional recent ATCAS achievements include crown supporting technology, keel quadrant design evaluation, and sandwich process development.

Ilcewicz, Larry B.↗
NASA NTRS1986

Combining Structural and Substructural Mathematical Models

Automation reduces input length and potential data-entry errors. Matrix Automated Reduction and Coupling (MARC) program used for combining NASTRAN substructural models with primary structural model MARC also constructs job-control language (JCL) stream for NASTRAN batch job that utilizes previously-written user library of dynamic models. Minimizes lengthy input and reduces potential data-entry errors. MARC procedure used in assembling Space Shuttle orbiter dynamic models since 1983 and reduced NASTRAN modeling input time by as much as 50 percent. MARC program written in FORTRAN IV for interactive execution.

Choa, V. K.↗
DOE OSTI2018

Multiple Reprocessing Cycles of Corn Starch-Based Biocomposites Reinforced with Curauá Fiber

Biocomposites with a corn starch-based biodegradable polymer as matrix and 10 wt% vegetable curauá fiber were processed by injection molding and were submitted to reprocessing up to ten cycles with or without 3 wt% of maleic anhydride grafted polypropylene as coupling agent. The effect of reprocessing on hardness, impact and tensile properties as well as on the morphology, thermal properties, chemical structure and soil degradation behaviour of the matrix and biocomposites was evaluated. Curauá fibers have increased hardness, impact and tensile strengths as well as increased tensile modulus and decreased elongation at break of the biocomposites with respect to starch-based matrix and these properties slightly decreased or no considerable changes were observed with the reprocessing cycle increase. The addition of coupling agent promoted an increase in all properties and they remained almost constant with the reprocessing cycle increase. Thus, the incorporation of curauá fiber within starch-based matrix can improve the mechanical properties of the biocomposites which showed potential to be recycled despite the weight loss in soil degradation tests reached around 10 wt% after 230 days for biocomposites reprocessed ten cycles.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Computational simulation of high temperature metal matrix composites cyclic behavior

A procedure was developed and is described which can be used to computationally simulate the cyclic behavior of high temperature metal matrix composites (HTMMC) and its degradation effects on the structural response. This procedure consists of HTMMC mechanics coupled with a multifactor interaction constituent material relationship and with an incremental iterative nonlinear analysis. The procedure is implemented in a computer code that can be used to computationally simulate the thermomechanical behavior of HTMMC starting from the fabrication process and proceeding through thermomechanical cycling, accounting for the interface/interphase region. Results show that combined thermal/mechanical cycling, the interphase, and in situ matrix properties have significant effects on the structural integrity of HTMMC.

Chamis, C. C.↗
NASA NTRS1990

Computational simulation of high-temperature metal matrix composites cyclic behavior

A procedure was developed and is described that can be used to computationally simulate the cyclic behavior of high-temperature metal matrix composites (HTMMC) and its degradation effects on the structural response. This procedure consists of HTMMC mechanics coupled with a multifactor-interaction constituent material relationship and with an incremental iterative nonlinear analysis. The procedure is implemented in a computer code that can be used to computationally simulate the thermomechanical behavior of HTMMC starting from the fabrication process and proceeding through thermomechanical cycling, accounting for the interface/interphase region. Results show that combined thermal/mechanical cycling, the interphase, and in situ matrix properties have significant effects on the structural integrity of HTMMC.

Chamis, Christos C.↗
NASA NTRS1981

Development of a unified numerical procedure for free vibration analysis of structures

This paper presents the details of a unified numerical algorithm and the associated computer program developed for the efficient determination of natural frequencies and modes of free vibration of structures. Both spinning and nonspinning structures with or without viscous and/or structural damping may be solved by the current procedure; in addition, the program is capable of solving static problems with multiple load cases as well as the quadratic matrix eigenproblem associated with a finite dynamic element structural discretization.

Gupta, K. K.↗
NASA NTRS2004

A Revised Approach to the ULDB Design

The National Aeronautics and Space Administration Balloon Program has experienced problems in the scaling up of the proposed Ultra Long Duration Balloon. Full deployment of the balloon envelope has been the issue for the larger balloons. There are a number of factors that contribute to this phenomenon. Analytical treatments of the deployment issue are currently underway. It has also been acknowledged that the current fabrication approach using foreshortening is costly, labor intensive, and requires significant handling during production thereby increasing the chances of inducing damage to the envelope. Raven Industries has proposed a new design and fabrication approach that should increase the probability of balloon deployment, does not require foreshortening, will reduce the handling, production labor, and reduce the final balloon cost. This paper will present a description of the logic and approach used to develop this innovation. This development consists of a serial set of steps with decision points that build upon the results of the previous steps. The first steps include limited material development and testing. This will be followed by load testing of bi-axial reinforced cylinders to determine the effect of eliminating the foreshortening. This series of tests have the goal of measuring the strain in the material as it is bi-axially loaded in a condition that closely replicated the application in the full-scale balloon. Constant lobe radius pumpkin shaped test structures will be designed and analyzed. This matrix of model tests, in conjunction with the deployment analyses, will help develop a curve that should clearly present the deployment relationship for this kind of design. This will allow the "design space" for this type of balloon to be initially determined. The materials used, analyses, and ground testing results of both cylinders and small pumpkin structures will be presented. Following ground testing, a series of test flights, staged in increments of increasing suspended load and balloon volume, will be conducted. The first small scale test flight has been proposed for early Spring 2004. Results of this test flight of this new design and approach will presented. Two additional domestic test flights from Ft. Sumner, New Mexico, and Palestine, Texas, and one circumglobal test flight from Australia are planned as part of this development. Future plans for both ground testing and test flights will also be presented.

Smith, Michael↗
DOE OSTI2016

Li-atoms-induced structure changes of Guinier–Preston–Bagaryatsky zones in AlCuLiMg alloys

Guinier–Preston–Bagaryatsky (GPB) zones are the well-known strengthening precipitates of AlCuMg alloys formed upon thermal ageing. Here we report that when formed in AlCuLiMg alloys the GPB zones can change significantly in morphology and structure. It is shown that though they do still consist of Al, Cu and Mg elements fundamentally, the GPB zones in AlCuLiMg alloys have a rather different structure due to a featured Li-segregation at their interfaces with the matrix and possible Li-replacement of partial Mg atoms in the structure. As such the Li-containing GPB zones often develop from one-dimensional to quasi-two-dimensional precipitates. - Highlights: • We observe Guinier–Preston–Bagaryatsky zone variants in AlCuLiMg alloys. • We obtain atomic-resolution images of the precipitates and model their structures. • Li-atoms play a key role in modifying the structure of these precipitate variants.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Strongly correlated mechanisms of a photoexcited radical reaction from the anti-Hermitian contracted Schroedinger equation

Photoexcited radical reactions are critical to processes in both nature and materials, and yet they can be challenging for electronic structure methods due to the presence of strong electron correlation. Reduced-density-matrix (RDM) methods, based on solving the anti-Hermitian contracted Schroedinger equation (ACSE) for the two-electron RDM (2-RDM), are examined for studying the strongly correlated mechanisms of these reactions with application to the electrocyclic interconversion of allyl and cyclopropyl radicals. We combine recent extensions of the ACSE to excited states [G. Gidofalvi and D. A. Mazziotti, Phys. Rev. A 80, 022507 (2009)] and arbitrary spin states [A. E. Rothman, J. J. Foley IV, and D. A. Mazziotti, Phys. Rev. A 80, 052508 (2009)]. The ACSE predicts that the ground-state ring closure of the allyl radical has a high 52.5 kcal/mol activation energy that is consistent with experimental data, while the closure of an excited allyl radical can occur by disrotatory and conrotatory pathways whose transition states are essentially barrierless. Comparisons are made with multireference second- and third-order perturbation theories and multireference configuration interaction. While predicted energy differences do not vary greatly between methods, the ACSE appears to improve these differences when they involve a strongly and a weakly correlated radical by capturing a greater share of single-reference correlation that increases the stability of the weakly correlated radicals. For example, the ACSE predicts a -39.6 kcal/mol conversion of the excited allyl radical to the ground-state cyclopropyl radical in comparison to the -32.6 to -37.3 kcal/mol conversions predicted by multireference methods. In addition, the ACSE reduces the computational scaling with the number of strongly correlated orbitals from exponential (traditional multireference methods) to quadratic. Computed ground- and excited-state 2-RDMs are nearly N-representable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Band gap engineering in finite elongated graphene nanoribbon heterojunctions: Tight-binding model

A simple model based on the divide and conquer rule and tight-binding (TB) approximation is employed for studying the role of finite size effect on the electronic properties of elongated graphene nanoribbon (GNR) heterojunctions. In our model, the GNR heterojunction is divided into three parts: a left (L) part, middle (M) part, and right (R) part. The left part is a GNR of width W{sub L}, the middle part is a GNR of width W{sub M}, and the right part is a GNR of width W{sub R}. We assume that the left and right parts of the GNR heterojunction interact with the middle part only. Under this approximation, the Hamiltonian of the system can be expressed as a block tridiagonal matrix. The matrix elements of the tridiagonal matrix are computed using real space nearest neighbor orthogonal TB approximation. The electronic structure of the GNR heterojunction is analyzed by computing the density of states. We demonstrate that for heterojunctions for which W{sub L} = W{sub R}, the band gap of the system can be tuned continuously by varying the length of the middle part, thus providing a new approach to band gap engineering in GNRs. Our TB results were compared with calculations employing divide and conquer rule in combination with density functional theory (DFT) and were found to agree nicely.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characterization of radiation damage in 3D printed SiC

The SiC fuel matrix for advanced gas-cooled high temperature reactors as part of the Transformational Challenge Reactor program serves as the fuel particle container structure, a barrier to fission gas release, and a heat transfer medium. Its performance is particularly important because the fuel matrix must demonstrate good structural stability and thermal behaviors. An additive manufacturing methodology combining a binder jet 3D printing process with chemical vapor infiltration (CVI) for the production of SiC was recently developed. In this study, post irradiation examination by transmission electron microscopy shows that defect accumulation within the printed particles is very similar to other forms of high-purity SiC. However, damage accumulation was not directly observed in the CVI matrix because black spot damage and dislocation loops are difficult to image within the nanoscale highly faulted CVI matrix and because interstitial defects may rapidly annihilate at the stacking faults. Therefore, electron energy loss spectroscopy (EELS) analysis was used to analyze defect swelling in both the printed particles and the CVI matrix. The EELS analysis helped reveal that the radiation-induced swelling in the CVI matrix is similar to that of the printed SiC particles. This work shows that 3D printed SiC has behavior that is comparable to SiC processed by other means and that 3D printing could serve as a suitable processing technique for high-purity SiC for nuclear applications.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Hollow Polyimide Microspheres

A shaped article composed of an aromatic polyimide has a hollow, essentially spherical structure and a particle size of about 100 to about 1500 microns, a density of about I to about 6 pounds/ft3 and a volume change of 1 to about 20% by a pressure treatment of 30 psi for 10 minutes at room temperature. A syntactic foam, made of a multiplicity of the shaped articles which are bounded together by a matrix resin to form an integral composite structure, has a density of about 3 to about 30 pounds/cu ft and a compression strength of about 100 to about 1400 pounds/sq in.

Weiser, Erik S.↗