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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Mechanical Properties of Graphene Nanoplatelet Carbon Fiber Epoxy Hybrid Composites: Multiscale Modeling and Experiments

Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite, while the effect on the axial properties is shown to be insignificant.

computational mechanics↗
NASA NTRS2015

Mechanical Properties of Graphene Nanoplatelet/Carbon Fiber/Epoxy Hybrid Composites: Multiscale Modeling and Experiments

Because of the relatively high specific mechanical properties of carbon fiber/epoxy composite materials, they are often used as structural components in aerospace applications. Graphene nanoplatelets (GNPs) can be added to the epoxy matrix to improve the overall mechanical properties of the composite. The resulting GNP/carbon fiber/epoxy hybrid composites have been studied using multiscale modeling to determine the influence of GNP volume fraction, epoxy crosslink density, and GNP dispersion on the mechanical performance. The hierarchical multiscale modeling approach developed herein includes Molecular Dynamics (MD) and micromechanical modeling, and it is validated with experimental testing of the same hybrid composite material system. The results indicate that the multiscale modeling approach is accurate and provides physical insight into the composite mechanical behavior. Also, the results quantify the substantial impact of GNP volume fraction and dispersion on the transverse mechanical properties of the hybrid composite while the effect on the axial properties is shown to be insignificant.

nanocomposites↗
DOE OSTI2025

Tunable magnons of an antiferromagnetic Mott insulator via interfacial metal-insulator transitions

Antiferromagnetic insulators present a promising alternative to ferromagnets due to their ultrafast spin dynamics essential for low-energy terahertz spintronic device applications. Magnons, i.e., quantized spin waves capable of transmitting information through excitations, serve as a key functional element in this paradigm. However, identifying external mechanisms to effectively tune magnon properties has remained a major challenge. Here we demonstrate that interfacial metal-insulator transitions offer an effective method for controlling the magnons of Sr 2 IrO 4 , a strongly spin-orbit coupled antiferromagnetic Mott insulator. Resonant inelastic x-ray scattering experiments reveal a significant softening of zone-boundary magnon energies in Sr 2 IrO 4 films epitaxially interfaced with metallic 4 d transition-metal oxides. Therefore, the magnon dispersion of Sr 2 IrO 4 can be tuned by metal-insulator transitions of the 4 d transition-metal oxides. We tentatively attribute this non-trivial behavior to a long-range phenomenon mediated by magnon-acoustic phonon interactions. Our experimental findings introduce a strategy for controlling magnons and underscore the need for further theoretical studies to better understand the underlying microscopic interactions between magnons and phonons.

magnetic properties and materials↗
DOE OSTI2020

Tunable mechanical behavior of graphene nanoribbon-metal composites fabricated through an electrocharge-assisted process

This work investigates the role of a carbon nanophase on the local mechanical behavior of nanocarbon metal matrix composites (NCMCs) produced through an electrocharge-assisted process. Nanoindentation experiments on single crystal Al, Al 1350 parent alloys, and Al 1350 NCMCs revealed variable mechanical properties, caused by an interplay between microstructure and graphitic reinforcements. TEM and AFM studies also reveal nanoscale structural changes based on the incorporation of a carbon nanophase. In order to decouple the effects of the aforementioned mechanical behaviors, molecular dynamics nanoindentation simulations were performed on the (111) surface of Al and Al NCMC samples containing semi-infinite graphene nanoribbons to examine the evolution of plasticity over time. Findings indicate that the arrangement of a finite graphene nanophase within a host matrix can alter plasticity mechanisms and therefore yield strength in near-surface mechanical behavior with little effect on elastic properties. Here, this understanding enables further study into tunable bulk properties of Al-based NCMCs while isolating microstructural effects and reinforcement effects of the carbon phase. Such an understanding will lead to application-specific material geometries ranging from highperforming vehicle structures to next-generation electrical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Metal-on-Metal Growth Approach to Metal–Metal Oxide Core–Shell Nanostructures with Plasmonic Properties

Hybrid core–shell nanoparticles integrate the material properties from individual components; however, the synthesis of core–shell nanoparticles with dissimilar materials remains challenging. Herein, we applied a metal-on-metal thin film growth approach to control the conformal deposition of non-precious metal shells on the Cu-based metal cores to form core–shell structures of metal–metal oxide hybrids (M–M'O x , where M = AuCu 3 or Cu, M' = Fe, Mn, and Ni). The deposition kinetics were controlled by a temperature-regulated thermal decomposition of zerovalent transition metal complexes. It is predicted that the conformal deposition can be promoted by keeping the initial deposition temperature close to the thermal decomposition temperature of the zerovalent precursors. The mechanisms of strain reduction and interdiffusion facilitate conformal deposition over island growth in the synthesis with slow reaction kinetics. This study provides insightful guidance to metal-on-metal growth in solution at the nanoscale and thus the seed-mediated approach to hybrid core–shell structures. The optical properties of these metal–metal oxide hybrids were investigated experimentally and interpreted by theoretical simulations. Despite damping effects, the plasmonic properties of these Cu-based core-metal oxide shell structures may have the potential to enable plasmon-enhanced applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Doping as a tuning mechanism for magnetothermoelectric effects to improve z T in polycrystalline NbP

Weyl semimetals combine topological and semimetallic effects, making them candidates for interesting and effective thermoelectric transport properties. Here, we present experimental results on polycrystalline NbP, demonstrating the simultaneous existence of a large Nernst effect and a large magneto-Seebeck effect, which is typically not observed in a single material at the same temperature. We compare transport results from two polycrystalline samples of NbP with previously published work, observing a shift in the temperature at which the maximum Nernst and magneto-Seebeck thermopowers occur, while still maintaining thermopowers of similar magnitude. Theoretical modeling shows how doping strongly alters both the Seebeck and Nernst magneto-thermopowers by shifting the temperature-dependent chemical potential, and the corresponding calculations provide a consistent interpretation of our results. Thus, we offer doping as a tuning mechanism for shifting magneto-thermoelectric effects to temperatures appropriate for device applications, improving zT at desirable operating temperatures. Furthermore, the simultaneous presence of both a large Nernst and magneto-Seebeck thermopower is uncommon and offers unique device advantages if the thermopowers are used additively. Finally, we also propose a unique thermoelectric device which would collectively harness the large Nernst and magneto-Seebeck thermopowers to greatly enhance the output and zT of conventional thermoelectric devices.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1987

N2O fluxes at the soil-atmosphere interface in various ecosystems and the global N2O budget

The overall purpose of this research task is to study the effects of soil properties and ecosystem variables on N2O exchanges at the soil-atmosphere interface, and to assess their effects on the globle N2O budget. Experimental procedures are implemented in various sites to measure the source/sink relations of N2O at the soil-atmosphere interface over prolonged periods of time as part of the research of biogeochemical cycling in terrestrial ecosystems. A data-base for establishing quantitative correlations between N2O fluxes and soil and environmental parameters that are of potential use for remote sensing, is being developed.

Banin, Amos↗
NASA NTRS1993

Self-Organized Criticality and Phase Problem in Magnetoaocustic Emission Burst in Ferromagnets

Two types of ferromagnets, pure iron and steel with varying geometry and microstructural properties, were prepared for the present study of magnetoacoustic emission (MAE). The purpose was to separate the effects of structural property variations from changes caused by differences in the sample geometry. The position and shape of the leading MAE sub-burst and its variation among the samples are explained by magnetic anisotropy and the results of numerical simulations which utilized the concept of self-organized criticality (SOC). The amplitude and duration of the second sub-burst, which previously was thought to occur as a result of a complicated interaction between non-180 deg domain walls and lattice defects, can easily be explained by the results of our simulation.

Namkung, M.↗
DOE OSTI2021

Area 6 Control Point: An Architectural Survey of the Area 6 Control Point, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) proposes to demolish five buildings and five accessory resources in the Area 6 Control Point at the Nevada National Security Site (NNSS) in Nye County, Nevada. The demolition and removal of the buildings and accessories constitute an undertaking subject to review under Section 106 of the National Historic Preservation Act (NHPA) (54 United States Code [USC] § 306101) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800. The buildings and accessories were recorded in Identification and Evaluation of 14 Architectural Resources Scheduled for Demolition, Area 6 Control Point and Vicinity, Nevada National Security Site, Nye County, Nevada (Menocal et al. 2020). The report found that the five buildings were not individually eligible for listing in the National Register of Historic Places (NRHP, National Register) but were potentially eligible as contributing elements to an unrecorded Area 6 Control Point district. The report also found that the five accessory resources were not individually eligible for the NRHP but they contributed to other historic properties, including the contributing elements to the unrecorded district. Finally, the report found that the undertaking would result in an adverse effect to historic properties. The State Historic Preservation Office (SHPO) concurred with the report’s findings regarding the eligibility of the buildings and structures in the Area of Potential Effect (APE) and that the undertaking would result in an adverse effect (Reed 2020). The NNSA/NFO, in consultation with the SHPO, then developed the Memorandum of Agreement DE-GM58-21NA25543 Between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Demolition of Fourteen Buildings and Structures in Area 6 of the Nevada National Security Site, Nye County, hereafter referred to as the MOA. The MOA stipulates that a district boundary be delineated with an accompanying boundary report and supporting photographs (Stipulation III.A) followed by an architectural survey of the potential historic district (Stipulation III.B). The SHPO reviewed and concurred with the proposed district boundary and accompanying boundary report and photographs (O’Neill et al. 2021) on August 23, 2021, in fulfillment of Stipulation III.A (Reed 2021). This architectural survey report has been prepared in accordance with Stipulation III.B. It includes an NRHP evaluation of the district, identifies contributing and non-contributing elements, and is accompanied by Architectural Resource Assessment (ARA) forms. The NRHP evaluation concludes that the Area 6 Control Point is recommended eligible as a historic district under the Secretary of the Interior’s Significance Criterion A at the national level as the location of the command center and various support facilities directly related to timing and firing operations for nuclear testing on the NNSS from 1951 to 1992. It is also recommended eligible under Significance Criterion C for embodying the distinctive characteristics of a nuclear command center in the context of the Cold War and as a significant and distinguishable entity. There are a total of 29 primary resources within the district boundary. Of these, 28 are recommended as contributing elements to the Area 6 Control Point Historic District and one is recommended as non-contributing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effect of Carbon Nanofiber Clustering on the Micromechanical Properties of a Cement Paste

The use of carbon nanofibers (CNFs) in cement systems has received significant interest over the last decade due to their nanoscale reinforcing potential. However, despite many reports on the formation of localized CNF clusters, their effect on the cement paste micromechanical properties and relation to the mechanical response at the macroscopic scale are still not fully understood. In this study, grid nanoindentation coupled with scanning electron microscopy and energy dispersive spectroscopy was used to determine the local elastic indentation modulus and hardness of a portland cement paste containing 0.2% CNFs with sub-micro and microscale CNF clusters. The presence of low stiffness and porous assemblage of phases (modulus of 15–25 GPa) was identified in the cement paste with CNFs and was attributed primarily to the interfacial zone surrounding the CNF clusters. The CNFs favored the formation of higher modulus C–S–H phases (>30 GPa) in the bulk paste at the expense of the lower stiffness C–S–H. Nanoindentation results combined with a microscale–macroscale upscaling homogenization method further revealed an elastic modulus of the CNF clusters in the range from 18 to 21 GPa, indicating that the CNF clusters acted as compliant inclusions relative to the cement paste.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Effects of C and Hf concentration on the mechanical properties of wrought superalloys based on NASA IIB-11 produced from prealloyed powders

This work describes the effects of C and Hf concentration on the mechanical properties of NASA IIB-11, a candidate material for advanced-temperature gas turbine engine disks. IIB-11 and four alloys of varied C and Hf concentrations were produced as cross-rolled disks from hot-isostatically pressed powder billets. The lower C, higher Hf modification exhibited the best mechanical properties at 760 C and below. These properties were at least equivalent to those of other candidate alloys for advanced temperature disks. Because of their finer grain sizes, all of these powder metallurgy alloys had lower rupture strength, however, than that achieved previously in conventionally processed IIB-11.

Miner, R. V., Jr.↗
NASA NTRS2006

Effect of Thermomechanical Processing on the Microstructure, Properties, and Work Behavior of a Ti50.5 Ni29.5 Pt20 High-Temperature Shape Memory Alloy

TiNiPt shape memory alloys are particularly promising for use as solid state actuators in environments up to 300 C, due to a reasonable balance of properties, including acceptable work output. However, one of the challenges to commercializing a viable high-temperature shape memory alloy (HTSMA) is to establish the appropriate primary and secondary processing techniques for fabrication of the material in a required product form such as rod and wire. Consequently, a Ti(50.5)Ni(29.5)Pt20 alloy was processed using several techniques including single-pass high-temperature extrusion, multiple-pass high-temperature extrusion, and cold drawing to produce bar stock, thin rod, and fine wire, respectively. The effects of heat treatment on the hardness, grain size, room temperature tensile properties, and transformation temperatures of hot- and cold-worked material were examined. Basic tensile properties as a function of temperature and the strain-temperature response of the alloy under constant load, for the determination of work output, were also investigated for various forms of the Ti(50.5)Ni(29.5)Pt20 alloy, including fine wire.

Noebe, Ronald↗
DOE OSTI2023

Description of reaction and vibrational energetics of CO 2 –NH 3 interaction using quantum computing algorithms

CO 2 capture is critical to solving global warming. Amine-based solvents are extensively used to chemically absorb CO 2 . Thus, it is crucial to study the chemical absorption of CO 2 by amine-based solvents to better understand and optimize CO 2 capture processes. Here, we use quantum computing algorithms to quantify molecular vibrational energies and reaction pathways between CO 2 and a simplified amine-based solvent model—NH 3 . Molecular vibrational properties are important to understanding kinetics of reactions. However, the molecule size correlates with the strength of anharmonicity effect on vibrational properties, which can be challenging to address using classical computing. Quantum computing can help enhance molecular vibrational calculations by including anharmonicity. We implement a variational quantum eigensolver (VQE) algorithm in a quantum simulator to calculate ground state vibrational energies of reactants and products of the CO 2 and NH 3 reaction. The VQE calculations yield ground vibrational energies of CO 2 and NH 3 with similar accuracy to classical computing. In the presence of hardware noise, Compact Heuristic for Chemistry (CHC) ansatz with shallower circuit depth performs better than Unitary Vibrational Coupled Cluster. The “Zero Noise Extrapolation” error-mitigation approach in combination with CHC ansatz improves the vibrational calculation accuracy. Excited vibrational states are accessed with quantum equation of motion method for CO 2 and NH 3 . Using quantum Hartree–Fock (HF) embedding algorithm to calculate electronic energies, the corresponding reaction profile compares favorably with Coupled Cluster Singles and Doubles while being more accurate than HF. Our research showcases quantum computing applications in the study of CO 2 capture reactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1989

Finite element applications to explore the effects of partial bonding on metal matrix composite properties

The mechanics of materials approach (definition of E, G, Nu, and Alpha) and the finite element method are used to explore the effects of partial bonding and fiber fracture on the behavior of high temperature metal matrix composites. Composite ply properties are calculated for various degrees of disbonding to evaluate the sensitivity of these properties to the presence of fiber/matrix disbonding and fiber fracture. The mechanics of materials approach allows for the determination of the basic ply material properties needed for design/analysis of composites. The finite element method provides the necessary structural response (forces and displacements) for the mechanics of materials equations. Results show that disbonding of fractured fibers affect only E sub (111) and alpha sub (111) significantly.

Caruso, J. J.↗
NASA NTRS1989

Finite element applications to explore the effects of partial bonding on metal matrix composite properties

The mechanics of materials approach (definition of E, G, nu, and alpha) and the finite element method are used to explore the effects of partial bonding and fiber fracture on the behavior of high temperature metal matrix composites. Composite ply properties are calculated for various degrees of disbonding to evaluate the sensitivity of these properties to the presence of fiber/matrix disbonding and fiber fracture. The mechanics of materials approach allows for the determination of the basic ply material properties needed for design/analysis of composites. The finite element method provides the necessary structural response (forces and displacements) for the mechanics of materials equations. Results show that disbonding of fractured fibers affect only E-l(11) and alpha-l(11) significantly.

Caruso, J. J.↗
DOE OSTI2020

Effect of net direct current on the properties of radio frequency sheaths: simulation and cross-code comparison

In order to understand, predict and control ion cyclotron range of frequency (ICRF) interactions with tokamak scrape-off layer plasmas, computational tools which can model radio frequency (RF) sheaths are needed. In particular, models for the effective surface impedance and DC rectified sheath potentials may be coupled with full wave RF simulation codes to predict self-consistent wave fields near surfaces and the resulting power dissipation and plasma-material interactions from ion sputtering. In this study, previous work assuming zero net DC current flow through the sheath is generalized to allow the surface to collect net positive or negative current, as is often observed in experiments. The waveforms, DC potential and RF admittance are investigated by means of analytical theory, nonlinear fluid and particle-in-cell (PIC) codes. Cross-code comparisons provide detailed model verification and elucidate the roles of ion and electron kinetics. When the sheath draws negative (positive) DC current, the voltage rectification is reduced (increased) compared with the zero-current case, and the magnitude of both the real and imaginary parts of the admittance are increased (reduced). In conclusion, a previous four-input parametrization of the sheath rectification and admittance properties is generalized to include a fifth parameter describing the DC sheath current.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗