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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

Interstellar and Solar Nebula Materials in Cometary Dust

Laboratory studies of cometary dust collected in the stratosphere and returned from comet 81P/Wild 2 by the Stardust spacecraft have revealed ancient interstellar grains and molecular cloud organic matter that record a range of astrophysical processes and the first steps of planetary formation. Presolar materials are rarer meteorites owing to high temperature processing in the solar nebula and hydrothermal alteration on their asteroidal parent bodies. The greater preservation of presolar materials in comets is attributed to their low accretion temperatures and limited planetary processing. Yet, comets also contain a large complement of high temperature materials from the inner Solar System. Owing to the limited and biased sampling of comets to date, the proportions of interstellar and Solar System materials within them remains highly uncertain. Interstellar materials are identified by coordinated isotopic, mineralogical, and chemical measurements at the scale of individual grains. Chondritic porous interplanetary dust particles (CP IDPs) that likely derive from comets are made up of 0.1 - 10 micron-sized silicates, Fe-Ni-sulfides, oxides, and other phases bound by organic material. As much as 1% of the silicates are interstellar grains that have exotic isotopic compositions imparted by nucleosynthetic processes in their parent stars. Crystalline silicates in CP IDPs dominantly have normal isotopic compositions and probably formed in the Solar System. 81P samples include isotopically normal refractory minerals that resemble Ca-Al rich inclusions and chondrules common in meteorites. The origins of sub-micron amorphous silicates in IDPs are not certain, but at least a few % of them are interstellar grains. The remainder have isotopic compositions consistent with Solar System origins and elemental compositions that are inconsistent with interstellar grain properties, thus favoring formation in the solar nebula [4]. The organic component in comets and primitive meteorites has large enrichments in D/H and N-15/N-14 relative to terrestrial materials. These isotopic signatures are probably due to low temperature chemical processes in cold molecular clouds or the outermost reaches of the protoplanetary disk. The greatest isotopic anomalies are found in sub-micron organic nanoglobules that show chemical signatures of interstellar chemistry. The observation that cometary dust is mostly composed of isotopically normal minerals within isotopically anomalous organic matter is difficult to reconcile with the formation models of each component. The mineral component likely formed in high temperature processes in the inner Solar System, while the organic fraction shows isotopic and chemical signatures of formation near 10 K. Studying more primitive remnants of the Solar System starting materials would help in resolving this paradox. Comets formed across a vast expanse of the outer disk under differing thermal and collisional regimes, and some are likely to be better preserved than others. Finding truly pristine aggregates of presolar materials may require return of a pristine sample of comet nucleus material.

Messenger, Scott↗
NASA NTRS1997

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal, and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineers perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(sub x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for 'graceful' rather than catastrophic failure. When loaded in the fiber direction these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic future strength envelope of the material; develop a statistically based reliability computer algorithm; verify the reliability model and computer algorithm-, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macro-analysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗
NASA NTRS1997

Design Protocols and Analytical Strategies that Incorporate Structural Reliability Models

Ceramic matrix composites (CMC) and intermetallic materials (e.g., single crystal nickel aluminide) are high performance materials that exhibit attractive mechanical, thermal and chemical properties. These materials are critically important in advancing certain performance aspects of gas turbine engines. From an aerospace engineer's perspective the new generation of ceramic composites and intermetallics offers a significant potential for raising the thrust/weight ratio and reducing NO(x) emissions of gas turbine engines. These aspects have increased interest in utilizing these materials in the hot sections of turbine engines. However, as these materials evolve and their performance characteristics improve a persistent need exists for state-of-the-art analytical methods that predict the response of components fabricated from CMC and intermetallic material systems. This need provided the motivation for the technology developed under this research effort. Continuous ceramic fiber composites exhibit an increase in work of fracture, which allows for "graceful" rather than catastrophic failure. When loaded in the fiber direction, these composites retain substantial strength capacity beyond the initiation of transverse matrix cracking despite the fact that neither of its constituents would exhibit such behavior if tested alone. As additional load is applied beyond first matrix cracking, the matrix tends to break in a series of cracks bridged by the ceramic fibers. Any additional load is born increasingly by the fibers until the ultimate strength of the composite is reached. Thus modeling efforts supported under this research effort have focused on predicting this sort of behavior. For single crystal intermetallics the issues that motivated the technology development involved questions relating to material behavior and component design. Thus the research effort supported by this grant had to determine the statistical nature and source of fracture in a high strength, NiAl single crystal turbine blade material; map a simplistic failure strength envelope of the material; develop a statistically based reliability computer algorithm, verify the reliability model and computer algorithm, and model stator vanes for rig tests. Thus establishing design protocols that enable the engineer to analyze and predict the mechanical behavior of ceramic composites and intermetallics would mitigate the prototype (trial and error) approach currently used by the engineering community. The primary objective of the research effort supported by this short term grant is the continued creation of enabling technologies for the macroanalysis of components fabricated from ceramic composites and intermetallic material systems. The creation of enabling technologies aids in shortening the product development cycle of components fabricated from the new high technology materials.

Duffy, Stephen F.↗
DOE OSTI2024

QRCODE: Massively parallelized real-time time-dependent density functional theory for periodic systems

We present a new software module, QRCODE (Quantum Research for Calculating Optically Driven Excitations), for massively parallelized real-time time-dependent density functional theory (RT-TDDFT) calculations of periodic systems in the open-source Qbox software package. Our approach utilizes a custom implementation of a fast Fourier transformation scheme that significantly reduces inter-node message passing interface (MPI) communication of the major computational kernel and shows impressive scaling up to 16,344 CPU cores. In addition to improving computational performance, QRCODE contains a suite of various time propagators for accurate RT-TDDFT calculations. As benchmark applications of QRCODE, we calculate the current density and optical absorption spectra of hexagonal boron nitride (h-BN) and photo-driven reaction dynamics of the ozone-oxygen reaction. We also calculate the second and higher harmonic generation of monolayer and multi-layer boron nitride structures as examples of large material systems. Our optimized implementation of RT-TDDFT in QRCODE enables large-scale calculations of real-time electron dynamics of chemical and material systems with enhanced computational performance and impressive scaling across several thousand CPU cores.

97 MATHEMATICS AND COMPUTING↗
NASA NTRSDate not supplied

Modeling of Response of Thermoplastic Composites Under High Energy Impact

This work investigates the response of thermoplastic composites under impact loading. Panels fabricated with the material system under consideration – carbon fiber reinforced low melt semi-crystalline resin TC1225 LMPAEK T700G (T700/LMPAEK) – were subject to impact with an Aluminum projectile, at low and high velocities. At lower velocities, the projectile rebounded from the panel after impact and caused damage e.g. delaminations. Finite element models were developed to model this test using LS-DYNA®, with material model MAT299, a continuum damage model based on the LaRC04 criteria, to capture the dynamic response and damage modes in the T700/LMPAEK panels. Interlaminar delaminations were modeled using the cohesive contact formulation available within LS-DYNA. Previous work by the authors showed that delaminations were consistently underpredicted in size, relative to the test. It was surmised that this was due to effects of strain rate on intralaminar and interlaminar response of the T700/LMPAEK material system. Therefore, the current work is focused on incorporating strain rate effects in modeling the interlaminar response. Rate dependence was incorporated using ‘one-way tie-break contact’ in LS-DYNA, wherein, the Mode-II fracture toughness of the LMPAEK resin, G IIc , was assumed to be an exponential function of the strain rate. In particular, G IIc , was modeled to exponentially decrease at higher strain rates. Models with this form of rate dependence favorably correlated with experimental data regarding delamination extent and rebound velocity, relative to prior models without strain rate effects.

Composite Materials↗
DOE OSTI2022

Developing extreme fast charge battery protocols – A review spanning materials to systems

Extreme fast charging (XFC) has become a focal research point in the lithium-battery community over the last several years. As adoption of electric vehicles increases, fast charging has become a key driver in enhancing consumer recharge experience. Recently, the research community has made significant improvements in developing charge protocols to support XFC. New charge protocol designs derived using a combination of advanced, physically derived models, and electrochemical and secondary characterization methods, increase charge acceptance and decrease aging. By coordinating these methods and modifying protocols to account for different material constraints, including lithium plating and cathode particle degradation, novel charge protocols have increased the energy accepted during charging by over 25% in 10 min and increased the charge acceptance prior to a constant-voltage step by approximately 3x. Here, we review several charge-protocol advances, aging factors which are enhanced by XFC and advances which will enable adoption of XFC capable vehicles. These advances include implementing machine learning and other detection algorithms to reduce and classify lithium plating, which is known to significantly degrade cell performance and reduce cell life. The review concludes by discussing full-system fast charge requirements, including electric vehicle service equipment needs for implementing XFC protocols.

25 ENERGY STORAGE↗
DOE OSTI2024

High‐throughput combinatorial approach expedites the synthesis of a lead‐free relaxor ferroelectric system

Abstract Developing novel lead‐free ferroelectric materials is crucial for next‐generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time‐consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high‐throughput combinatorial synthesis approach to fabricate lead‐free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High‐resolution x‐ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well‐controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high‐throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth. image

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-throughput combinatorial approach expedites the synthesis of a lead-free relaxor ferroelectric system

Developing novel lead-free ferroelectric materials is crucial for next-generation microelectronic technologies that are energy efficient and environment friendly. However, materials discovery and property optimization are typically time-consuming due to the limited throughput of traditional synthesis methods. In this work, we use a high-throughput combinatorial synthesis approach to fabricate lead-free ferroelectric superlattices and solid solutions of (Ba 0.7 Ca 0.3 )TiO 3 (BCT) and Ba(Zr 0.2 Ti 0.8 )O 3 (BZT) phases with continuous variation of composition and layer thickness. High-resolution x-ray diffraction (XRD) and analytical scanning transmission electron microscopy (STEM) demonstrate high film quality and well-controlled compositional gradients. Ferroelectric and dielectric property measurements identify the “optimal property point” achieved at the composition of 48BZT–52BCT. Displacement vector maps reveal that ferroelectric domain sizes are tunable by varying {BCT–BZT} N superlattice geometry. This high-throughput synthesis approach can be applied to many other material systems to expedite new materials discovery and properties optimization, allowing for the exploration of a large area of phase space within a single growth.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Subspace recursive Fermi-operator expansion strategies for large-scale DFT eigenvalue problems on HPC architectures

Quantum mechanical calculations for material modeling using Kohn–Sham density functional theory (DFT) involve the solution of a nonlinear eigenvalue problem for N smallest eigenvector-eigenvalue pairs, with N proportional to the number of electrons in the material system. Here, these calculations are computationally demanding and have asymptotic cubic scaling complexity with the number of electrons. Large-scale matrix eigenvalue problems arising from the discretization of the Kohn–Sham DFT equations employing a systematically convergent basis traditionally rely on iterative orthogonal projection methods, which are shown to be computationally efficient and scalable on massively parallel computing architectures. However, as the size of the material system increases, these methods are known to incur dominant computational costs through the Rayleigh–Ritz projection step of the discretized Kohn–Sham Hamiltonian matrix and the subsequent subspace diagonalization of the projected matrix. This work explores the potential of polynomial expansion approaches based on recursive Fermi-operator expansion as an alternative to the subspace diagonalization of the projected Hamiltonian matrix to reduce the computational cost. Subsequently, we perform a detailed comparison of various recursive polynomial expansion approaches to the traditional approach of explicit diagonalization on both multi-node central processing unit and graphics processing unit architectures and assess their relative performance in terms of accuracy, computational efficiency, scaling behavior, and energy efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Influence of Fiber Orientation on Deformation of Additive Manufactured Composites

Anisotropy caused by flow-induced fiber orientation of discontinuous fibers within the extrudate in the Extrusion Deposition Additive Manufacturing (EDAM) process gives rise to anisotropic shrinkage in printed parts and thereby, final part deformations. Three fiber orientation states, described by the second-order orientation tensor, were investigated to determine their influence upon final geometry. Two material systems were investigated including a short glass fiber-reinforced polyamide and a short carbon fiber-reinforced polyamide. A curvilinear geometry was modeled and printed virtually in the thermo-mechanical simulation, ADDITIVE3D©. The scale of the printed geometry was in the range of 300–400 mm and contained three semicircular geometry regions connected to linear regions, thereby inducing significant magnification of the spring-in deformation. The predicted deformation of the printed geometry for the three fiber orientation states and two material systems were compared. The deformation predicted for glass fiber-filled polyamide and carbon fiber-filled polyamide of the same fiber orientation states showed comparable deformations. In conclusion, the largest residual deformation was shown to correspond to the orientation tensor with the greatest degree of anisotropy.

36 MATERIALS SCIENCE↗
NASA NTRS2017

Solidification and Morphological Evolution of Al-Si Eutectics in Convector-Diffusive Conditions

The Al-Si material system is an important and has been studied for over half century with a focus on industrial applications in high strength and high conductivity alloys. A great deal of researches have been focused on controlling the morphology and hence performance through the addition of small impurities and by processing conditions. Most of the structure-property correlations are based on the post solidified micromorphology and growth conditions. This material system is unique and has been explored for heat spreader, controlling coefficient of expansion by adjusting composition of silicon and in designing composites. The Al-Si system is very interesting system for understanding the dendritic (Al-rich side) eutectic transition. Recently this system has been of great interest because of its applications in designing heat spreader, low temperature flux to grow SiC large substrates and in controlling the coefficient of expansion of Al-based alloys. We have performed extensive experiments to understand eutectic transition and to understand the morphological evolution in presence of impurities. We will discuss the results of dendritic transition into faceted long grains in convector-diffusive conditions. In this presentation we will present morphological transition in presence of carbon impurity and development of novel morphology.

Singh, N. B.↗
NASA NTRS1982

Results of tests of Insta-Foam Thermal Protection System (TPS) material for protection of equipment inside the SRB aft skirt

The objective of these tests was to determine whether Insta-Foam can be used successfully to protect items inside the solid rocket booster aft skirt during reentry. On some of the early Space Shuttle flights the aft skirt heat shield curtain failed during reentry. This allowed the hot gases to damage some of the equipment, etc., inside the skirt. For example, some of the propellant lines were overheated and ruptured and some of the NSI (nozzle severance) cables were damaged. It was suggested that the Insta-Foam thermal protection system be sprayed over these lines, etc., to protect them during future flights in case of a curtain failure. The tests presented were devised and run to check out the feasibility of this idea.

Dean, W. G.↗
DOE OSTI2023

Devices and systems for material transportation

Various embodiments relate to devices for transporting high-assay low-enriched uranium (HALEU). A device may include at least one section, wherein each section of the at least one section includes a number of storage tubes. Each storage tube, which is configured to receive and hold a container, extends from adjacent a first end of the section toward a second, opposite end of the section. Each section further includes a number of flux traps, wherein each storage tube of the number of storage tubes is at least partially surrounded by a flux trap of the number of flux traps Associated systems are also disclosed.

Eidelpes, Elmar F.↗
NASA NTRS1992

Post impact compressive strength in composites

Presented in this paper are the plan, equipment, procedures, and findings of an experimental investigation of the tolerance to low velocity impact of a graphite epoxy (AS4/3501-6) and graphite bismaleimide (M6/CYCOM3100) advanced composites. The applied impacts were governed by the Air Force Guide Specification 87221. Specimens of each material system having a common nominal layup (10% 0 deg; 80% +/-45 deg; 10% 90 deg), a common 7 inch (17.78 cm) by 10 inch (25.40 cm) size, five different thicknesses (9, 26, 48, 74, and 96 plies), and ambient moisture content were impacted and strength tested at room temperature. Damaged areas and post impact compression strengths (PICS) were among the most significant findings obtained. While the undamaged per ply compression strength of both materials is a strong function of laminate thickness, the per ply PICS is not. The average difference in per ply PICS between the two material systems is about seven percent. Although a smaller percentage of the applied kinetic energy was absorbed by the Gr/BMI than by the Gr/Epoxy composites, larger damaged areas were produced in the Gr/BMI than in Gr/Epoxy. Within the limitations of this investigation, the Gr/BMI system seems to offer no advantage in damage tolerance over the Gr/Epoxy system examined.

Demuts, Edvins↗
NASA NTRS1995

Experimental Investigation of Textile Composite Materials Using Moire Interferometry

The viability as an efficient aircraft material of advanced textile composites is currently being addressed in the NASA Advanced Composites Technology (ACT) Program. One of the expected milestones of the program is to develop standard test methods for these complex material systems. Current test methods for laminated composites may not be optimum for textile composites, since the architecture of the textile induces nonuniform deformation characteristics on the scale of the smallest repeating unit of the architecture. The smallest repeating unit, also called the unit cell, is often larger than the strain gages used for testing of tape composites. As a result, extending laminated composite test practices to textiles can often lead to pronounced scatter in material property measurements. It has been speculated that the fiber architectures produce significant surface strain nonuniformities, however, the magnitudes were not well understood. Moire interferometry, characterized by full-field information, high displacement sensitivity, and high spatial resolution, is well suited to document the surface strain on textile composites. Studies at the NASA Langley Research Center on a variety of textile architectures including 2-D braids and 3-D weaves, has evidenced the merits of using moire interferometry to guide in test method development for textile composites. Moire was used to support tensile testing by validating instrumentation practices and documenting damage mechanisms. It was used to validate shear test methods by mapping the full-field deformation of shear specimens. Moire was used to validate open hole tension experiments to determine the strain concentration and compare then to numeric predictions. It was used for through-the-thickness tensile strength test method development, to verify capabilities for testing of both 2-D and 3-D material systems. For all of these examples, moire interferometry provided vision so that test methods could be developed with less speculation and more documentation.

Ifju, Peter G.↗
NASA NTRS2018

Nebula Scale Mixing Between Non-Carbonaceous and Carbonaceous Chondrite Reservoirs: Testing the Grand Tack Model with Almahata Sitta Stones

There is an increasing number of Cr-O-Ti isotope studies that show that solar system materials are divided into two main populations, one carbonaceous chondrite (CC)-like and the other is non-carbonaceous (NCC)-like, with minimal mixing between them attributed to a gap opened in the propoplanetary disk due to Jupiter's formation. The Grand Tack model suggests that there should be a particular time in the disk history when this gap is breached and ensuring a subsequent large-scale mixing between S- and C-type asteroids (inner solar system and outer solar system materials), an idea supported by our recent work on chondrule (Delta)17O-(epsilon)54Cr isotope systematics.

Yin, Q.-Z.↗
DOE OSTI2020

Synthesis, transport properties and electronic structure of p-type Cu 1+x Mn 2–x InTe 4 ( x = 0, 0.2, 0.3)

The synthesis, electronic structure and temperature dependent transport properties of polycrystalline Cu 1+x Mn 2–x InTe 4 (x = 0, 0.2, 0.3) are reported for the first time. These quaternary chalcogenides were synthesized by direct reaction of the elements, followed by solid state annealing and hot press densification. The thermal conductivity is low for all specimens and intrinsic to the material system. Furthermore, the off-stoichiometry specimens illustrate the sensitivity of the transport properties to stoichiometry, with a greater than two-orders-of magnitude increase in carrier concentration with increased Cu content. First principles calculations of the electronic structure are also reported, and are in agreement with the experimental data. Here, this fundamental investigation shows the potential towards further optimization of the electrical properties that, in addition to the intrinsically low thermal conductivity, provides a basis for further research into the viability of this material system for potential energy-related applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Plasticity analysis of wear phenomena as an aid in the development of abradable materials

Plastic deformation accompanying the wear process in fully dense and porous metals was studied in order to develop more abradable gas path seal material systems for turbine engine applications. The finite element method was used to model high-rate viscoplastic deformation in the vicinity of a moving contact. Techniques were developed for studying such deformation in both solid (fully dense) and porous metals. Results of the analysis were verified by comparison with experimental data obtained using a pendulum-type rub test apparatus and a pin-on-disk sliding wear tester. It was found that the near-surface plastic deformation in fully dense solids was different from that for porous materials because of the compressibility of the latter. Both types of materials exhibit deformation features which can be taken advantage of in the design of more abradable material systems.

Kennedy, F. E., Jr.↗