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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Isolation and electronic structures of derivatized manganocene, ferrocene and cobaltocene anions

The discovery of ferrocene nearly 70 years ago marked the genesis of metallocene chemistry. Although the ferrocenium cation was discovered soon afterwards, a derivatized ferrocenium dication was only isolated in 2016 and the monoanion of ferrocene has only been observed in low-temperature electrochemical studies. Here we report the isolation of a derivatized ferrocene anion in the solid state as part of an isostructural family of 3d metallocenates, which consist of anionic complexes of a metal centre (manganese, iron or cobalt) sandwiched between two bulky Cp ttt ligands (where Cp ttt is {1,2,4-C 5 H 2 t Bu 3 }). These thermally and air-sensitive complexes decompose rapidly above –30 °C; however, we were able to characterize all metallocenates by a wide range of physical techniques and ab initio calculations. These data have allowed us to map the electronic structures of this metallocenate family, including an unexpected high-spin S = 3/2 ground state for the 19e– derivatized ferrocene anion.

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

Time resolved in-situ small angle X-ray scattering clarifies the competition between continuous and discontinuous precipitation in U-6wt%Nb

In-situ high energy x-ray scattering experiments enable high temporal resolution investigations of precipitation kinetics; Continuous and discontinuous precipitation are competitive near the TTT nose (~525°C); The incubation time for discontinuous precipitation increases significantly at temperatures below the TTT nose; Additional evidence for the divergent interlamellar spacing was observed at 434°C and 466°C

36 MATERIALS SCIENCE↗
NASA NTRS1979

A simplified model for glass formation

A simplified model of glass formation based on the formal theory of transformation kinetics is presented, which describes the critical cooling rates implied by the occurrence of glassy or partly crystalline bodies. In addition, an approach based on the nose of the time-temperature-transformation (TTT) curve as an extremum in temperature and time has provided a relatively simple relation between the activation energy for viscous flow in the undercooled region and the temperature of the nose of the TTT curve. Using this relation together with the simplified model, it now seems possible to predict cooling rates using only the liquidus temperature, glass transition temperature, and heat of fusion.

Uhlmann, D. R.↗
NASA NTRS2001

The Vitrification and Determination of the Crystallization Time Scales of a Zr58.5Nb2.8Cu15.6Ni12.8Al10.3 Bulk Metallic Glass Forming Liquid

Zr58.5Nb2.8Cul5.6Nil2.8All0.3 is the first bulk glass forming liquid that does not contain beryllium to be vitrified by purely radiative cooling in the containerless electrostatic levitation process. The measured critical cooling rate is 1.75 K/s. The sluggish crystallization kinetics enable the determination of the time-temperature-transformation (TTT) diagram between the liquidus and the glass transition temperatures. At the nose of the TTT diagram, the shortest time to reach crystallization in an isothermal experiment is 32 seconds. In contrast to other bulk metallic glasses the scatter in the crystallization onset times are small at both high and low temperatures.

Hays, C. C.↗
NASA NTRS2003

Torque Limit for Bolted Joint for Composites: TTTC Properties of Laminated Composites - Part A

The existing design code for torque limit of bolted joints for composites at Marshall Space Flight Center is MSFC-STD-486B, which was originally developed in 1960s for metallic materials. The theoretical basis for this code was a simplified mechanics analysis, which takes into account only the bolt, nut and washers, but not the structural members to be connected. The assumption was that metallic materials would not fail due to the bearing stress at the contact area between washer and the mechanical member. This is true for metallic materials; but for composite materials the results could be completely different. Unlike most metallic materials, laminated composite materials have superior mechanical properties (such as modulus and strength) in the in-plane direction, but not in the out-of-plane, or through-the-thickness (TTT) direction. During the torquing, TTT properties (particularly compressive modulus and compressive strength) play a dominant role in composite failure. Because of this concern, structural design engineers at Marshall are currently using a compromised empirical approach: using 50% of the torque value for composite members. Companies like Boeing is using a similar approach. An initial study was conducted last summer on this topic to develop theoretical model(s) that takes into consideration of composite members. Two simplified models were developed based on stress failure criterion and strain failure criterion, respective. However, these models could not be used to predict the torque limit because of the unavailability of material data, specifically, through-the-thickness compression (TTTC) modulus and strength. Therefore, the task for this summer is to experimentally determine the TTTC properties. Due to the time limitation, only one material has been tested: IM7/8552 with [0 degrees,plus or minus 45 degrees, 90 degree ] configuration. This report focuses the test results and their significance, while the experimentation will be described in a separate report by Mr. Kris Kostreva.

Zhao, Yi↗
NASA NTRS2018

Vision 2040: A Roadmap for Integrated, Multiscale Modeling and Simulation of Materials and Systems

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a diverse team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This report describes the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); identified gaps and actions to close those gaps; and major recommendations) which constitutes a community consensus document as it is a result of over 450 professionals input obtain via: 1) four society workshops (AIAA, NAFEMS, and two TMS), 2) community-wide survey, and 3) the establishment of 9 expert panels (one per KE) consisting on average of 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. The study envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

multi-scale modeling↗
NASA NTRS2019

2040 Vision Study: an Enlargement of Model Based Engineering

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This talk will briefly review the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); associated critical gaps and actions to close those gaps; and major recommendations). The study, NASA CR 2018- 219771, envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that marries two non-mutually exclusive paradigms _ "design of the materials" (material scientist viewpoint) and "design with the materials" (structural analyst viewpoint) _ into a concurrent transformational paradigm that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

Arnold, Steven M.↗
NASA NTRSDate not supplied

ICME: The Design of Fit-for-Purpose Materials

With the increased emphasis on reducing the cost and time to market of new materials, ICME (Integrated Computational Materials Engineering) has become a fast growing discipline within materials science and engineering. The vision of ICME is compelling in many respects, not only for the value added in reducing time to market for new products with advanced, tailored materials, but also for enhanced efficiency and performance of these materials. Although the challenges and barriers (both technical and cultural) are formidable, substantial cost, schedule, and technical benefits can result from broad development, implementation, and validation of ICME principles. ICME is an integrated approach to the design of products, and the materials that comprise them, by linking material and structural models at multiple time and length scales. NASA’s Transformational Tools and Technology (TTT) Project sponsored a study (performed by a team led by Pratt & Whitney) in 2016 to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This talk will briefly review ICME, the findings of the 2040 Vision study, and discuss NASA’s TTT 2040 implementation activities: with special emphasis on recent accomplishments. The 2040 study, NASA CR 2018- 219771, envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems by enabling the engineer to not only “design-with-the” material but also concurrently “design-the” material.

multiscale analysis↗
NASA NTRSDate not supplied

Assessment of Coupling One-Dimension and Three-Dimension CFD in Conjugate Heat Transfer Modeling and Simulations for Cooling of Turbine Engine

The CHT (conjugate heat transfer) modeling and simulation work fits under a bigger area in the TTT (Transformational Tools and Technologies) project called “Cooling Tools and Technologies for Combustor and Turbine.” The existing validation data sets such as TTT GRC (Glenn Research Center) THX (Turbulent Heat FLUX) IV experiments will be used to assess the solid/fluid heat transfer development and validation. The experimental configuration was a subsonic convergent nozzle with a square exit blowing a heated exhaust over an effusion-cooled deck. The simulation solutions were obtained and compared to experimental measurements of the profiles of flow velocities and temperatures, as well as deck surface temperatures. Cooling air blowing ratios of 0, 1, and 2 were considered. The three-dimensional cooling tubes were modelled by the medial axis of the cylindrical geometries due to large length over width ratios. It represented a typical coupling of one-dimension and three-dimension simulations of conjugate heat transfer approaches. The surface temperatures on the solid surfaces and the profiles of velocities and temperatures near the surfaces compared to the experimental data were presented.

nonlinear sub-filter stresses↗
DOE OSTI2024

Trifluoromethylation of 2D Transition Metal Dichalcogenides: A Mild Functionalization and Tunable p‐Type Doping Method

Chemical modification is a powerful strategy for tuning the electronic properties of 2D semiconductors. Here, in this study, we report the electrophilic trifluoromethylation of 2D WSe2 and MoS 2 under mild conditions using the reagent trifluoromethyl thianthrenium triflate (TTT). Chemical characterization and density functional theory calculations reveal that the trifluoromethyl groups bind covalently to surface chalcogen atoms as well as oxygen substitution sites. Trifluoromethylation induces p-type doping in the underlying 2D material, enabling the modulation of charge transport and optical emission properties in WSe 2 . This work introduces a versatile and efficient method for tailoring the optical and electronic properties of 2D transition metal dichalcogenides.

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

The formation kinetics of lunar glasses

The kinetic treatment of crystallization and glass formation, involving the construction of time-temperature-transformation curves (TTT) corresponding to a given degree of crystallinity, is extended to permit the description of crystallization of a body initially cooled to a glassy state. The key assumption is that if at any time and temperature a crystallite is smaller than the critical size corresponding to that temperature, it will melt completely and can be ignored in any further calculations of the crystal distribution. This approach is used to predict the temperature of maximum crystallization rate for the matrix composition of lunar breccia 67975; results are shown to be in excellent agreement with experiment. Theoretical results obtained for anorthite indicate a barrier to nucleation in the range of 75 kT when the ratio of the undercooling to the liquidus temperature is 0.2. Measured nucleation barriers for the 67975 matrix composition are in the range of 42 to 45 kT.

Uhlmann, D. R.↗
NASA NTRS1992

A kinematic analysis of the modified flight telerobotic servicer manipulator system

A reverse kinematic analysis is presented of a six-DOF subchain of a modified seven-DOF flight telerobotic servicer manipulator system. The six-DOF subchain is designated as a TR-RT chain, which describes the sequence of manipulator joints beginning with the first grounded hook joint (universal joint) T, where the sequence R-R designates a pair of revolute joints with parallel axes. At the outset, it had been thought that the reverse kinematic analysis would be similar to a TTT manipulator previously analyzed, in which the third and fourth joints intersected at a finite point. However, this is shown not the case, and a 16th-degree tan-half-angle polynomial is derived for the TR-RT manipulator.

Crane, Carl↗
NASA NTRS1992

Removal of surface loop from stitched composites can improve compression and compression-after-impact strengths

Stitching through-the-thickness (TTT) of composite materials produces a surface loop of yarn between successive penetrations. The surface loop is pressed into the surface layers of the composite material during the curing of the laminate, kinking the in-plane fibers near the surface of the material. The compression strength and compression-after-impact (CAI) strengths of carbon-epoxy specimens were measured with and without the surface loop. Removal of the surface loop had no influence on failure mode or failure mechanism, but did significantly increase the compression and CAI strengths.

Farley, Gary L.↗
NASA NTRS2000

Thermophysical Property Measurement and Materials Research in the NASA/MSFC Electrostatic Levitator

Containerless processing is an important tool for thermophysical property measurements and materials research. The freedom from a crucible allows processing of liquid materials in a metastable undercooled state, as well as allowing processing of high temperature and highly reactive melts. Electrostatic levitation (ESL) is a containerless method which provides a number of unique advantages, including the decoupling of positioning force from sample heating, the ability to operate in ultra-high vacuum or at moderate gas pressure (approximately 3 atm), and the ability to process non-conducting materials. ESL also has the potential to reduce internal flow velocities below those possible with electromagnetic, acoustic, or aero-acoustic techniques. The ESL facility at NASA's Marshall Space Flight Center (MSFC) is in use for thermophysical property measurements and materials research by a number of different internal and external investigators. The methods for obtaining access to the facility, as well as a summary of current capabilities and some future directions will be discussed. In electrostatic levitation, the acceleration of gravity (or residual acceleration in reduced gravity) is opposed by the action of an applied electric field on a charged sample. This positioning method is applicable to any material which can be electrically charged, whether solid or liquid, conducting, or insulating. Because the position of the sample is unstable, a 3-dimensional active control loop rapidly adjusts the applied field to maintain levitation and minimize motion of the sample. Heating lasers melt the sample, and may be adjusted to maintain specified thermal profiles. Microgravity allows electrostatic levitation to work even more effectively. With the need to cancel less than 1 milli-g, the applied field required is reduced from approximately 10 MV/m to approximately 10 kV/m. Alternatively, a microgravity ESL can position larger samples than is possible on the ground, or it can position samples which maintain their charge poorly. Microgravity also reduces the effects of buoyant convection and sedimentation. In the MSFC ESL, many different classes of experiments and measurements have been demonstrated in collaboration with many investigators. These capabilities include heat capacity measurement, phase diagram determination, and nucleation and growth experiments including nucleation rate, TTT curves, and phase selection. We have demonstrated the capability of triggering recalescence of an undercooled liquid sample without loss of levitation. Currently under development are techniques for measuring the surface tension, viscosity, and density of levitated samples, as well as other thermophysical properties. Expanded levitation capabilities including various gas environments for sample processing, sample rotation control and management of thermal gradients are under development for the MSFC ESL. Containerless processing allows research on materials which may not be processed any other way. Electrostatic levitation extends the range of containerless processing to include many materials and classes of materials which cannot be processed by conventional electromagnetic, acoustic, or aerodynamic levitation techniques.

Rogers, Jan↗
NASA NTRS2002

Thermophysical Property Measurements in the MSFC ESL

Electrostatic Levitation (ESL) is an advanced technique for containerless processing of metals, ceramics, and semiconductors. Because no container is required, there is no contamination from reaction with a crucible, allowing processing of high temperature, highly reactive melts. The high vacuum processing environment further reduces possible contamination of the samples. Finally, there is no container to provide heterogeneous nucleation sites, so the undercooled range is also accessible for many materials. For these reasons, ESL provides a unique environment for measuring thermophysical properties of liquid materials. The properties that can be measured in ESL include density, surface tension, viscosity, electrical and thermal conductivity, specific heat, phase diagram, TTT- and CCT- curves, and other thermodynamic properties. In this paper, we present data on surface tension and viscosity, measured by the oscillating drop technique, and density, measured by an automated photographic technique, measured in the ESL at NASA Marshall Space Flight Center.

Hyers, R. W.↗
NASA NTRS2002

Building the Capacity of HBCU's for Establishing Effective Globe Partnerships

The special GLOBE train-the-trainer (TTT) workshop entitled "Building the Capacity of HBCUs For Establishing Effective GLOBE Partnerships" was help for the purpose of expanding GLOBE training capacity on the campuses of Historically Black Colleges and Universities (HBCUs) and community colleges (CCs). The workshop was held March 17-22, 2002 in Washington, D.C. at Howard University. It was designed to establish research and instructional collaboration between and among U.S. universities (HBCUs and CCs) and African countries. Representatives from 13 HBCUs, and two community colleges were represented among trainees, so were representatives from eight African countries who were financially supported by other sources. A total of 38 trainees increased their knowledge of GLOBE protocols through five days of rigorous classroom instruction, field experiences, cultural events, and computer lab sessions.

Bagayoko, Diola↗
NASA NTRS1998

The effect of track structure on the induction of chromosomal aberrations in murine cells

PURPOSE: To measure chromosome aberrations in C3H 10T1/2 mouse fibroblasts using FISH painting at the first mitosis following exposure to 30 keV/microm hydrogen or neon ions. MATERIALS AND METHODS: Cells in plateau-phase were irradiated with 0.86 MeV protons at the TTT-3 Tandem accelerator in Naples (Italy), or with 400 MeV/n Ne ions at the HIMAC accelerator in Chiba (Japan). Colcemid-blocked cells were harvested at the first mitosis following exposure, and chromosome spreads were hybridized in situ with a fluorescein-labelled composite mouse DNA probe specific for chromosomes 2 and 8. RESULTS: Protons were more efficient than neon ions at the same LET in the induction of chromosome interchanges and breaks. Yields of complex exchanges were similar for both particles at the same dose, but protons produced mostly insertions, while with Ne exposure non-reciprocal exchanges were the most frequent complex-type exchange. CONCLUSIONS: Charged particles with the same LET produce different yields of chromosome aberrations, and some observed differences can be explained based on the available track-structure models.

NASA Center JSC↗
NASA NTRS1992

Numerical classification of coding sequences

DNA sequences coding for protein may be represented by counts of nucleotides or codons. A complete reading frame may be abbreviated by its base count, e.g. A76C158G121T74, or with the corresponding codon table, e.g. (AAA)0(AAC)1(AAG)9 ... (TTT)0. We propose that these numerical designations be used to augment current methods of sequence annotation. Because base counts and codon tables do not require revision as knowledge of function evolves, they are well-suited to act as cross-references, for example to identify redundant GenBank entries. These descriptors may be compared, in place of DNA sequences, to extract homologous genes from large databases. This approach permits rapid searching with good selectivity.

Non-NASA Center↗