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At least 1,171 records · Page 65

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DOE OSTI2021

Advanced strategies for the development of porous carbon as a Li host/current collector for lithium metal batteries

Lithium metal is considered a promising anode material for high-energy-density rechargeable batteries because of its high specific theoretical capacity (3860 mAh g -1 , low mass density (0.534 g cm -3 ), and low electrochemical redox potential (-3.04 V vs. the standard hydrogen electrode). However, the high reactivity of Li with the electrolyte leads to the formation of an unstable solid electrolyte interphase (SEI) and continuous side reactions. Also, the non-uniform lithium-ion flux and infinite volume expansion of Li metal cause the growth of Li dendrites. These pose significant safety challenges and cause rapid capacity fading of the lithium metal batteries (LiMBs). To resolve these issues, a low-cost, easily processed, lightweight, high-performance carbon-based porous matrix is considered promising to host Li metal deposition. The three-dimensional (3D) porous nano/microstructured carbon provides sufficient space for Li accommodation during Li plating, buffers the volume changes during Li plating/stripping, and lowers the effective current density contributing to dendrite-free Li deposition. Besides, the outstanding electrochemical and mechanical stability, flexibility and the high electronic conductivity enable the nano/microstructured carbon to serve as both Li host and current collector. The development of 3D carbon/Li composite by mechanical roll-press techniques not only eliminates the complex and risky procedure of making carbon/Li composite based on Li plating or molten Li infusion but also stabilizes the capacity at higher Li plating/stripping rates. Recently, there is an advancement in the lithiophilic decorations of 3D structure to introduce sufficient nucleation sites and the development of artificial SEI on top of the 3D matrix to suppress Li dendrite formation. Such 3D structural modifications create a uniform electric field, lower the Li nucleation overpotential, provide strong mechanical and chemical stability, and stabilize the interface thereby inhibiting the degradation of lithium and the electrolyte. Here we summarize the research progress on porous carbon/Li composites in terms of materials type, structure, fabrication technique, their electrochemical battery performance, and identify the critical challenges that need to be addressed for high-energy-density practical LiMBs.

25 ENERGY STORAGE↗

NASA NTRS1977

Dynamic crystallization experiments bearing on the origin of textures in impact-generated liquids

Dynamic crystallization experiments on a synthetic glass of 14310 composition show that the density and distribution of crystals present at the initiation of cooling can drastically affect the texture of the crystallized product. Experiments were performed in one-atmosphere gas-mixing furnaces at an oxygen fugacity slightly below iron-wustite, and precooling crystallization, cooling history, and melt history were systematically varied. When cooled from a complete liquid, the experimental charges were porphyritic with 1-2 mm phenocrysts set in a very fine-grained matrix (less than 0.1 mm). This result suggests that 14310 did not cool from a complete melt. When cooled from a crystal-liquid mixture, the experimental charges had widely varying textures depending on the density and distribution of crystals that act as nucleation sites. It is suggested that the close spatial association of widely divergent textures in the matrices of some breccias and rocks might arise in this manner; local variations in cooling rates are not required.

Lofgren, G. E.↗

DOE OSTI2023

Chlorophylls as primary electron acceptors in reaction centers

Photosynthetic Reaction Centers (RCs) can be considered blueprints for highly efficient energy transfer. Embedded with an array of cofactors, including (bacterio)chlorophyll ((B)Chl) and (B)pheophytin ((B)Pheo) molecules, RCs function with a high quantum yield that spans a wide spectral range. Understanding the principles that underlie their function can influence the design of the next generation of artificial photosynthetic devices. We are particularly interested in the factors that influence the early stages of light-driven charge separation in RCs. With the recent publication of several highly anticipated RC structures and advanced computational methods available, it is possible to probe both the geometric and electronic structures of an array of RCs. In this chapter, we review the electronic and geometric structures of the (B)Chl and (B)Pheo primary electron acceptors from fiveRCs, comprising both Type I and Type II RCs and representing both heterodimeric and homodimeric systems. We showcase the dimeric A0•- state of Type I RCs, whereby the unpaired electron is delocalized, to various extents, over two (B)Chl molecules (B)Chl2 and (B)Chl3. This delocalization is controlled by several factors, including the structure of the (B)Chls, interactions with the surrounding protein matrix, and the orientation and distances of the cofactors themselves. In contrast, the primary acceptors of Type II RCs are entirely monomeric, with electron density residing solely on the (B)Pheo. We compare the natural design of the primary acceptors of the Type I and Type II RCs from both an evolutionary and application based perspective.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Characterisation of nano-scale precipitates in BOR60 irradiated T91 steel using atom probe tomography

Atom probe tomography has characterised the microstructural changes in T91 steel after BOR60 reactor irradiation at five temperatures between 376 °C and 524 °C to doses between 14.6 dpa and 35.1 dpa. Irradiation-induced precipitation and segregation to carbide/matrix interface induced by neutron irradiation has been characterised. Atom probe tomography characterisation shows that Mn, Ni, Si -rich (MNS-rich) clusters form in T91 steel irradiated in BOR60 reactor at temperatures between 376 °C and 415 °C, which is not observed at higher temperatures 460 °C and 524 °C. Additionally, the number density, volume fraction and composition of MNS-rich clusters have been characterised. Ni, Mn, Si and P is found to segregate at carbide matrix interface after irradiation at lower temperature and only P segregation is observed at 524 °C.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A strong fracture-resistant high-entropy alloy with nano-bridged honeycomb microstructure intrinsically toughened by 3D-printing

Strengthening materials via conventional “top-down” processes generally involves restricting dislocation movement by precipitation or grain refinement, which invariably restricts the movement of dislocations away from, or towards, a crack tip, thereby severely compromising their fracture resistance. In the present study, a high-entropy alloy Al0.5CrCoFeNi is produced by the laser powder-bed fusion process, a “bottom-up” additive manufacturing process similar to how nature builds structures, with the microstructure resembling a nano-bridged honeycomb structure consisting of a face-centered cubic (fcc) matrix and an interwoven hexagonal net of an ordered body-centered cubic B2 phase. While the B2 phase, combined with high-dislocation density and solid-solution strengthening, provides strength to the material, the nano-bridges of dislocations connecting the fcc cells, i.e., the channels between the B2 phase on the cell boundaries, provide highways for dislocation movement away from the crack tip. Consequently, the nature-inspired microstructure imparts the material with an excellent combination of strength and toughness.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Probing anisotropies of the Stochastic Gravitational Wave Background with LISA

Here, we investigate the sensitivity of the Laser Interferometer Space Antenna (LISA) to the anisotropies of the Stochastic Gravitational Wave Background (SGWB). We first discuss the main astrophysical and cosmological sources of SGWB which are characterized by anisotropies in the GW energy density, and we build a Signal-to-Noise estimator to quantify the sensitivity of LISA to different multipoles. We then perform a Fisher matrix analysis of the prospects of detectability of anisotropic features with LISA for individual multipoles, focusing on a SGWB with a power-law frequency profile. We compute the noise angular spectrum taking into account the specific scan strategy of the LISA detector. We analyze the case of the kinematic dipole and quadrupole generated by Doppler boosting an isotropic SGWB. We find that β Ω GW ~ 2 × 10 -11 is required to observe a dipolar signal with LISA. The detector response to the quadrupole has a factor ~ 10 3 β relative to that of the dipole. The characterization of the anisotropies, both from a theoretical perspective and from a map-making point of view, allows us to extract information that can be used to understand the origin of the SGWB, and to discriminate among distinct superimposed SGWB sources.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Quantum embedding study of strain- and electric-field-induced Stark effects on the NV - center in diamond

The NV - color center in diamond has been demonstrated as a powerful nanosensor for quantum metrology due to the sensitivity of its optical and spin properties to external electric, magnetic, and strain fields. In view of these applications, we use quantum embedding to derive a many-body description of strain- and electric-field-induced Stark effects on the NV - center. Here, we quantify how strain longitudinal to the axis of NV - shifts the excited states in energy, while strain with a component transverse to the NV - axis splits the degeneracies of the 3 E and 1 E states. The largest effects are for the optically relevant 3 E manifold, which splits into E x and E y with transverse strain. From these responses we extract strain susceptibilities for the E x/y states within the quasilinear regime. Additionally, we study the many-body dipole matrix elements of the NV - and find a permanent dipole 1.6 D at zero strain, which is somewhat smaller than that obtained from recent density functional theory calculations. We also determine the transition dipole between the E x and E y and how it evolves with strain.

47 OTHER INSTRUMENTATION↗

NASA NTRS1976

Dielectric coated wire antennas

An electrically thin dielectric insulating shell on an antenna composed of electrically thin circular cylindrical wires is examined. A moment method solution is obtained, and the insulating shell is modeled by equivalent volume polarization currents. These polarization currents are related in a simple manner to the surface charge density on the wire antenna. In this way the insulating shell causes no new unknowns to be introduced, and the size of the impedance matrix is the same as for the uninsulated wires. The insulation is accounted for entirely through a modification of the symmetric impedance matrix. This modification influences the current distribution, impedance, efficiency, field patterns, and scattering properties. The theory is compared with measurement for dielectric coated antennas in air.

Richmond, J. H.↗

NASA NTRS1976

Generation of atomic H in a hydrogen matrix by tritium decay

Webeler's (1976) experimental results for the generation of atomic hydrogen in a hydrogen matrix by tritium decay are reexamined with a variant of Rosen's (1976) mathematical treatment. The analysis retains Rosen's equations for the number densities of trapped and mobile hydrogen atoms, but replaces his enthalpy equation with an equation for the directly measured temperature. Theoretical expressions are derived for the dependence of storage time, recombination time, and maximum density of trapped hydrogen atoms as a function of temperature for a given tritium concentration. A comparison of predictions for the maximum trapped atomic hydrogen number density as a function of storage time reveals that Rosen's estimate for the maximum number density of hydrogen atoms for the zero magnetic field case is a little more optimistic than the estimate obtained in the paper.

Zeleznik, F. J.↗

NASA NTRS1995

High performance nickel electrodes for space power applications

The specific energy density and the performance of nickel electrodes are generally limited by the electrode microstructure and the nature of the active material within the electrode matrix. Progress is being made in our laboratory in a collaborative effort with NASA-LEWIS Research Center to develop lighter weight, mechanically stable and highly efficient nickel electrodes for aerospace applications. Our approach is based on an electrode microstructure fabricated from a mixture of nickel fibers as small as 2 micro m diameter and cellulose fibers. Results will be presented to show the optimum conditions for impregnating this electrode microstructure with nickel hydroxide active material. Performance data in half-cell tests and cycle life data will also be presented. The flexibility of this electrode microstructure and the significant advantages it offers in terms of weight and performance will be demonstrated, in particular its ability to accept charge at high rates and to discharge at high rates.

Adanuvor, Prosper K.↗

NASA NTRS1996

Development of a material property database on selected ceramic matrix composite materials

Ceramic Matrix Composites, with fiber/whisker/particulate reinforcement, possess the attractive properties of ceramics such as high melting temperature, high strength and stiffness at high temperature, low density, excellent environmental resistance, combined with improved toughness and mechanical reliability. These unique properties have made these composites an enabling technology for thermomechanically demanding applications in high temperature, high stress and aggressive environments. On a broader scale, CMC's are anticipated to be applicable in aircraft propulsion, space propulsion, power and structures, in addition to ground based applications. However, it is also true that for any serious commitment of the material toward any of the intended critical thermo-mechanical applications to materialize, vigorous research has to be conducted for a thorough understanding of the mechanical and thermal behavior of CMC's. The high technology of CMC'S is far from being mature. In view of this growing need for CMC data, researchers all over the world have found themselves drawn into the characterization of CMC's such as C/SiC, SiC/SiC, SiC/Al203, SiC/Glass, SiC/C, SiC/Blackglas. A significant amount of data has been generated by the industries, national laboratories and educational institutions in the United States of America. NASA/Marshall Space Flight Center intends to collect the 'pedigreed' CMC data and store those in a CMC database within MAPTIS (Materials and Processes Technical Information System). The task of compilation of the CMC database is a monumental one and requires efforts in various directions. The project started in the form of a summer faculty fellowship in 1994 and has spilled into the months that followed and into the summer faculty fellowship of 1995 and has the prospect of continuing into the future for a healthy growth, which of course depends to a large extent on how fast CMC data are generated. The 10-week long summer fellowship has concentrated, basically, on establishing the procedure for a smooth transfer of data into a CMC database on MAPTIS which is a vital part of the following broader picture of the project.

Mahanta, Kamala↗

NASA NTRS2003

Composite-Based High Performance Electroactive Polymers For Remotely Controlled Mechanical Manipulations in NASA Applications

This program supported investigation of an all-polymer percolative composite which exhibits very high dielectric constant (less than 7,000). The experimental results show that the dielectric behavior of this new class of percolative composites follows the prediction of the percolation theory and the analysis of the conductive percolation phenomena. The very high dielectric constant of the all-polymer composites which are also very flexible and possess elastic modulus not very much different from that of the insulation polymer matrix makes it possible to induce a high electromechanical response under a much reduced electric field (a strain of 2.65% with an elastic energy density of 0.18 J/cu cm can be achieved under a field of 16 MV/m). Data analysis also suggests that in these composites, the non-uniform local field distribution as well as interface effects can significantly enhance the strain responses. Furthermore, the experimental data as well as the data analysis indicate that the conduction loss in these composites will not affect the strain hysteresis.

Zhang, Q. M.↗

DOE OSTI2023

Sample Size Effects on Petrophysical Characterization and Fluid-to-Pore Accessibility of Natural Rocks

Laboratory-scale analysis of natural rocks provides petrophysical properties such as density, porosity, pore diameter/pore-throat diameter distribution, and fluid accessibility, in addition to the size and shape of framework grains and their contact relationship with the rock matrix. Different types of laboratory approaches for petrophysical characterization involve the use of a range of sample sizes. While the sample sizes selected should aim to be representative of the rock body, there are inherent limitations imposed by the analytical principles and holding capacities of the different experimental apparatuses, with many instruments only able to accept samples at the μm–mm scale. Therefore, a total of nine (three limestones, three shales, two sandstones, and one dolomite) samples were collected from Texas to fill the knowledge gap of the sample size effect on the resultant petrophysical characteristics. The sample sizes ranged from 3 cm cubes to <75 μm particles. Using a combination of petrographic microscopy, helium expansion pycnometry, water immersion porosimetry, mercury intrusion porosimetry, and (ultra-) small-angle X-ray scattering, the impact of sample size on the petrophysical properties of these samples was systematically investigated here. The results suggest that the sample size effect is influenced by both pore structure changes during crushing and sample size-dependent fluid-to-pore connectivity.

36 MATERIALS SCIENCE↗

NASA NTRS2004

Wave Propagation in 2-D Granular Matrix and Dust Mitigation of Fabrics for Space Exploration Mission

Wave Propagation study is essential to exploring the soil on Mars or Moon and Dust Mitigation is a necessity in terms of crew's health in exploration missions. The study of Dust Mitigation has a significant impact on the crew s health when astronauts track dust back into their living space after exploration trips. We are trying to use piezoelectric fiber to create waves and vibrations at certain critical frequencies and amplitudes so that we can shake the particles off from the astronaut s fabrics. By shaking off the dust and removing it, the astronauts no longer have to worry about breathing in small and possibly hazardous materials, when they are back in their living quarters. The Wave Propagation in 2-D Granular Matrix studies how the individual particles interact with each other when a pressure wave travels through the matrix. This experiment allows us to understand how wave propagates through soils and other materials. By knowing the details about the interactions of particles when they act as a medium for waves, we can better understand how wave propagates through soils and other materials. With this experiment, we can study how less gravity effects the wave propagation and hence device a way to study soils in space and on Moon or Mars. Some scientists treat the medium that waves travel through as a "black box", they did not pay much attention to how individual particles act as wave travels through them. With this data, I believe that we can use it to model ways to measure the properties of different materials such as density and composition. In order to study how the particles interact with each other, I have continued Juan Agui's experiment of the effects of impacts on a 2-D matrix. By controlling the inputs and measuring the outputs of the system, I will be able to study now the particles in that system interact with each other. I will also try to model this with the software called PFC2D in order to obtain theoretical data to compare with the experiment. PFC2D is a program that allows the user to control the number of particle's characteristic, and the environment of the particle. With this I can run simulations that mimic the impulse test. This software uses a language called FISH, probably created by the creator of the software. This means that in order to model anything, one must use the command terminal instead of GUI's. I will also use this program to simulate the Moon/Mars simulate adhering to the fabric for the Dust Mitigation project. My goals for this summer are just to complete preliminary studies of the feasibility of the Shaking Fabric, learn the PFC-2D program, and to complete building and testing the wave propagation experiment.

Thanh, Phi Hung X.↗

NASA NTRS1997

Mechanical Characterization and Micromechanical Modeling of Woven Carbon/Copper Composites

The present investigation examines the in-plane mechanical behavior of a particular woven metal matrix composite (MMC); 8-harness (8H) satin carbon/copper (C/Cu). This is accomplished via mechanical testing as well as micromechanical modeling. While the literature is replete with experimental and modeling efforts for woven and braided polymer matrix composites, little work has been done on woven and braided MMC's. Thus, the development and understanding of woven MMC's is at an early stage. 8H satin C/Cu owes its existence to the high thermal conductivity of copper and low density and thermal expansion of carbon fibers. It is a candidate material for high heat flux applications, such as space power radiator panels. The experimental portion of this investigation consists of monotonic and cyclic tension, compression, and Iosipescu shear tests, as well as combined tension-compression tests. Tests were performed on composite specimens with three copper matrix alloy types: pure Cu, Cu-0.5 weight percent Ti (Cu-Ti), and Cu-0.7 weight percent Cr (Cu-Cr). The small alloying additions are present to promote fiber/matrix interfacial bonding. The analytical modeling effort utilizes an approach in which a local micromechanical model is embedded in a global micromechanical model. This approach differs from previously developed analytical models for woven composites in that a true repeating unit cell is analyzed. However, unlike finite element modeling of woven composites, the geometry is sufficiently idealized to allow efficient geometric discretization and efficient execution.

Bednarcyk, Brett A.↗

DOE OSTI2022

A generalized 3D elastic model for nanoscale, self-assembled oxide-metal thin films with pillar-in-matrix configurations

In recent years, functional oxide-metal based vertically aligned nanocomposite (VAN) thin films have gained interest due to their intriguing physical properties and multifunctionalities stemming from the complex interactions between the two phases in the film and the substrate. In this work, we develop a model for studying the energetics of these thin film systems, including the effects of both lattice mismatch and capillary forces due to interface curvature. Each phase is incorporated into the model using a phase indicator function, and we introduce the capillary forces as body forces using a vector density representation of the interface. The model is implemented using the finite element method to study the deformation of the thin film which is composed of Au nanopillars embedded in a La 0.7 Sr 0.3 MnO 3 (LSMO) matrix on an SrTiO 3 (STO) substrate. Further, the results suggest that the total energy is lowest for random configurations of pillars compared to ordered square and hexagonal lattice configurations, consistent with the random distribution of pillars found in experiments. Furthermore, we find that the interfacial energy dominates the total energy of each configuration, suggesting that interfacial energy in the system is an important design parameter for nanocomposite growth, along with the lattice mismatch.

36 MATERIALS SCIENCE↗

NASA NTRS1990

Regional distribution of mineral and matrix in the femurs of rats flown on Cosmos 1887 biosatellite

The location and nature of the defect in mineralization known to occur in growing animals after spaceflight are studied. The distribution of bone mineral density in situ is mapped, and these images are correlated with the chemical composition of the diaphyseal bone. Concentrations of mineral and osteocalcin are found to be low in the distal half of the diaphysis and concentrations of collagen to be low with evidence of increased synthesis in the proximal half of the diaphysis of the flight bones. X-ray microtomography indicates a longitudinal gradient of decreasing mineralization toward the distal diaphysis. Analysis of embedded sections by backscattered electrons reveals patterns of mineral distribution in the proximal, central, and distal regions of the diaphysis and also shows a net reduction in mineral levels toward the distal shaft. Increases in mineral density to higher fractions in controls are less in the flight bones at all three levels.

Mechanic, Gerald L.↗

DOE OSTI2021

Unveiling the ambipolar carrier transport property of SnO 2–X for multiple-functional interlayers in perovskite solar cells

Tin oxides are the most promising electron transport layers in perovskite solar cells. An ambipolar carrier transport property has been recently demonstrated which enables a simple interconnection structure for all-perovskite tandem solar cells. However, the underlying mechanism for its ambipolar behavior is unclear which cannot be explained by the intrinsic defects in SnO 2-x . Here by using density functional theory calculations, we unveil the origin of the ambipolar carrier transport of non-stoichiometry SnO 2-x with a structure of SnO embedded in SnO 2 matrix. The hybridization of O 2p and Sn 5s orbitals of SnO introduces mid-gap states in the bandgap of SnO 2 , enabling hole transport property for SnO 2-x when x is > 0.2. Increasing the percentage of SnO in SnO 2-x significantly enhances the hole transport capability of SnO 2-x due to the enlarged Sn-O-Sn angles that increases orbital overlapping between O and Sn atoms, thus providing strategies for the further tuning of the carrier transport properties of SnO 2-x by compositional and structural designs.

14 SOLAR ENERGY↗