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At least 199 records · Page 11

NASA Tech Briefs, January 2004

Topics covered include: Multisensor Instrument for Real-Time Biological Monitoring; Sensor for Monitoring Nanodevice-Fabrication Plasmas; Backed Bending Actuator; Compact Optoelectronic Compass; Micro Sun Sensor for Spacecraft; Passive IFF: Autonomous Nonintrusive Rapid Identification of Friendly Assets; Finned-Ladder Slow-Wave Circuit for a TWT; Directional Radio-Frequency Identification Tag Reader; Integrated Solar-Energy-Harvesting and -Storage Device; Event-Driven Random-Access-Windowing CCD Imaging System; Stroboscope Controller for Imaging Helicopter Rotors; Software for Checking State-charts; Program Predicts Broadband Noise from a Turbofan Engine; Protocol for a Delay-Tolerant Data-Communication Network; Software Implements a Space-Mission File-Transfer Protocol; Making Carbon-Nanotube Arrays Using Block Copolymers: Part 2; Modular Rake of Pitot Probes; Preloading To Accelerate Slow-Crack-Growth Testing; Miniature Blimps for Surveillance and Collection of Samples; Hybrid Automotive Engine Using Ethanol-Burning Miller Cycle; Fabricating Blazed Diffraction Gratings by X-Ray Lithography; Freeze-Tolerant Condensers; The StarLight Space Interferometer; Champagne Heat Pump; Controllable Sonar Lenses and Prisms Based on ERFs; Measuring Gravitation Using Polarization Spectroscopy; Serial-Turbo-Trellis-Coded Modulation with Rate-1 Inner Code; Enhanced Software for Scheduling Space-Shuttle Processing; Bayesian-Augmented Identification of Stars in a Narrow View; Spacecraft Orbits for Earth/Mars-Lander Radio Relay; and Self-Inflatable/Self-Rigidizable Reflectarray Antenna.

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Organo‐Functionalized Lacunary Double Cubane‐Type Oxometallates: Synthesis, Structure, and Properties of [(M II Cl) 2 (V IV O) 2 {((HOCH 2 CH 2 )(H)N(CH 2 CH 2 O))(HN(CH 2 CH 2 O) 2 )} 2 ] (M=Co, Zn)

Abstract Organofunctionalized tetranuclear clusters [(M II Cl) 2 (V IV O) 2 {((HOCH 2 CH 2 )(H)N(CH 2 CH 2 O))(HN(CH 2 CH 2 O) 2 )} 2 ] (1, M=Co,2: M=Zn) containing an unprecedented oxometallacyclic {M 2 V 2 Cl 2 N 4 O 8 } (M=Co, Zn) framework have been prepared by solvothermal reactions. The new oxo‐alkoxide compounds were fully characterized by spectroscopic methods, magnetic susceptibility measurement, DFT and ab initio computational methods, and complete single‐crystal X‐ray diffraction structure analysis. The isostructural clusters are formed of edge‐sharing octahedral {VO 5 N} and trigonal bipyramidal {MO 3 NCl} units. Diethanolamine ligates the bimetallic lacunary double cubane core of1and2in an unusual two‐mode fashion, unobserved previously. In the crystalline state, the clusters of1and2are joined by hydrogen bonds to form a three‐dimensional network structure. Magnetic susceptibility data indicate weakly antiferromagnetic interactions between the vanadium centers [J iso (V IV −V IV )=−5.4(1); −3.9(2) cm −1 ], and inequivalent antiferromagnetic interactions between the cobalt and vanadium centers [J iso (V IV −Co II )=−12.6 and −7.5 cm −1 ] contained in1.

Chemistry↗

Single-shot magnon interference in a magnon-superconducting-resonator hybrid circuit

Magnon interference is a hallmark of coherent magnon interactions. In this work, we demonstrate single-shot magnon interference using up to four magnon pulses in two remotely coupled yttrium iron garnet spheres mediated by a coplanar superconducting resonator. By exciting one YIG sphere with injected microwave pulses, we achieve coherent energy exchange between the two spheres, facilitating their interference processes, including Rabi-like oscillation with a single pulse, constructive and destructive interference with two pulses, and interference peak sharpening with up to four pulses—analogous to diffraction grating in optical interference. The resulting interference patterns can be precisely controlled by changing the frequency detuning and time delay of the magnon pulses. The demonstration of time-domain coherent control of remote magnon interference opens new pathways for advancing coherent information processing through multi-operation, circuit-integrated hybrid magnonic networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Defect-Limited Carrier Lifetime in Epitaxially Strained Germanium-On-Silicon Heterostructures

Epitaxially strained germanium-on-silicon (Ge-on-Si) heterostructures are central to next-generation photonic and electronic devices, yet their performance remains strongly constrained by defect-limited carrier lifetimes. In this work, we investigate the impact of defects on the carrier lifetime in relaxed Ge-on-Si and strained Ge-on-Si heterostructures. High-resolution X-ray diffraction quantifies the strain-state in Ge and reveals signatures of strain relaxation due to lattice mismatch. Cross-sectional and plan-view transmission electron microscopy analyses enable direct visualization of interfacial defects and quantification of threading dislocation densities (TDDs) within the Ge layer. However, the presence of a dense misfit dislocation network obscures the threading dislocation signatures, preventing reliable TDD determination by plan-view transmission electron microscopy in strained-Ge (..epsilon..-Ge). To assess the defect density in this case, etch-pit density measurements were performed, providing an alternative means of quantifying the TDDs in the ..epsilon..-Ge layer. Carrier lifetime measurements by microwave-reflection photoconductive decay reveal a clear relationship with TDDs ranging from 5 x 103 cm-2 to 2 x 1010 cm-2, confirming Shockley-Read-Hall recombination as the limiting mechanism at lower defect densities, with TDD-dominated recombination at higher defect densities. The Ge-on-Si relaxed heterostructure exhibited lifetimes much lower (~12 ns) than the lattice-matched Ge on gallium arsenide (GaAs) (~158 ns) heterostructure. Introducing controlled tensile strain reduces defect formation, suppresses strain-relaxation pathways, and leads to measurable improvements in minority carrier lifetime from 12 ns to 171 ns. These results establish a direct relation between defect suppression and carrier recombination dynamics in both relaxed Ge-on-Si grown directly on Si and strained Ge-on-Si heterostructures incorporating compound-semiconductor buffer layers, offering a materials-driven pathway for engineering Ge with improved carrier lifetime for photonic applications.

36 MATERIALS SCIENCE↗

Investigation of glass-ceramic lithium thiophosphate solid electrolytes using NMR and neutron scattering

Solid-state Li batteries require solid electrolytes which have high Li+ conductivity and good chemical/mechanical compatibility with Li metal anodes and high energy cathodes. Structure/function correlations which relate local bonding to macroscopic properties are needed to guide development of new solid electrolyte materials. This study combines diffraction measurements with solid-state nuclear magnetic resonance spectroscopy (ssNMR) and neutron pair distribution function (nPDF) analysis to probe the short-range vs. long-range structure of glass-ceramic Li 3 PS 4 -based solid electrolytes. Here, we demonstrate how different synthesis conditions (e.g., solvent selection and thermal processing) affect the resulting polyanionic network. More specifically, structures with high P coordination numbers (e.g., PS 4 3– and P 2 S 7 4– ) correlate with higher Li + mobility compared to other polyanions (e.g., (PS 3 ) n n– chains and P 2 S 6 4– ). Overall, this work demonstrates how ssNMR and nPDF can be used to draw key structure/function correlations for solid-state superionic conductors.

36 MATERIALS SCIENCE↗

Low-cost Large Aperture Telescopes for Optical Communications

Low-cost, large-aperture optical receivers are required to form an affordable optical ground receiver network for laser communications. Among the ground receiver station's multiple subsystems, here, we only discuss the ongoing research activities aimed at reducing the cost of the large-size optics on the receiver. Experimental results of two different approaches for fabricating low-cost mirrors of wavefront quality on the order of 100-200X the diffraction limit are described. Laboratory-level effort are underway to improve the surface figure to better than 20X the diffraction limit.

telescope↗

Selective sorption of oxygen and nitrous oxide by an electron donor-incorporated flexible coordination network

Incorporating strong electron donor functionality into flexible coordination networks is intriguing for sorption applications due to a built-in mechanism for electron-withdrawing guests. Here we report a 2D flexible porous coordination network, [Ni 2 (4,4'-bipyridine)(VTTF) 2 ]n(1) (where H 2 VTTF = 2,2;-[1,2-bis(4-benzoic acid)-1,2ethanediylidene]bis-1,3-benzodithiole), which exhibits large structural deformation from the as-synthesized or open phase (1α) into the closed phase (1β) after guest removal, as demonstrated by X-ray and electron diffraction. Interestingly, upon exposure to electron-withdrawing species, 1β reversibly undergoes guest accommodation transitions; 1α$\supset$O 2 (90 K) and 1α$\supset$N 2 O (185 K). Moreover, the 1β phase showed exclusive O 2 sorption over other gases (N 2 , Ar, and CO) at 120 K. The phase transformations between the 1α and 1β phases under these gases were carefully investigated by in-situ X-ray diffraction, in-situ spectroscopic studies, and DFT calculations, validating that the unusual sorption was attributed to the combination of flexible frameworks and VTTF (electron-donor) that induces strong interactions with electron-withdrawing species.

36 MATERIALS SCIENCE↗

Materials genome innovation for computational software (magics) center

Functional layered material (LM) architectures will dominate nanomaterials science in this century. We have developed theory, modeling, simulation, and software and data tools that enhance understanding and AI guide synthesis, enable characterization of complex structures, and improve capabilities in the predictive design and growth of LMs. Research at the Center has focused on: Computational synthesis and characterization: AI guided synthesis and experimental synthesis of stacked LMs with tailored properties via optimized chemical vapor deposition (CVD) growth and liquid-phase exfoliation; study defects, edges, grain boundaries, wrinkling of atomic layers and their effects on chemical, mechanical, electrical, and optical properties. Far-from-equilibrium processes: Joint experimental and simulation based probe of electronic processes with NAQMD and ultrafast X-ray free-electron laser (XFEL) and ultrafast electron diffraction (UED) facilities at Stanford. Experimentally validate NAQMD by ultrafast electron diffraction and X-ray spectroscopy studies of structural and excited state dynamics, shape fluctuations, and phonon dynamics. Scalable software: Simulation engines for desktop-to-exascale platforms using low-overhead, linear-scaling QMD algorithms; divide-conquer-recombine NAQMD with electronic excitations; extended-Lagrangian reactive molecular dynamics (RMD), machine learning (ML) based neural-network quantum molecular dynamics (NNQMD), and super-state accelerated molecular dynamics (AMD) and kinetic Monte Carlo codes; thermal and electrical transport software; and design 3D architectures of LMs with desired functionality using scalable software. Distribution of software and data, and training: Software and simulation-experimental data generated within the Center are distributed to the materials science community via Berkeley Materials Project (MP) framework. We have also organized three workshops for software distribution and training at USC (Nov. 2017, Mar. 2018) and Gaithersburg, MD (Nov. 2018) to train researchers, with the last one in focused on underrepresented groups, in collaboration with Howard University which is one of the largest HBCUs. The Center supported a total of 46 personnel and 6 undergraduate students. These include 14 faculty, 11 postdoctoral research associates, 20 graduate research assistants, and mentored 6 undergraduate students. This resulted in the publications of 63 research papers that include 46 publications on Reactive and Quantum Dynamics Simulations, 13 publications on Machine Learning for Quantum Materials, and 4 publications on Quantum Computing.

2D Materials↗

Structural Characterization of Uranium Tetrafluoride Hydrate (UF 4 ·2.5H 2 O)

Uranium tetrafluoride is an important intermediate in the nuclear fuel cycle. Facile synthesis of its hydrate, uranium tetrafluoride hydrate (UF 4 ·2.5H 2 O), has recently been reported. The hydrate forms by contacting anhydrous UF 4 with neat H 2 O at room temperature for 24 h or by exposing anhydrous UF 4 to high relative humidity (>90%) conditions for several weeks. These pathways are of clear environmental relevance. Further understanding of the structure and optical spectra of UF 4 ·2.5H 2 O, especially of the water molecules, is therefore necessary. Herein, the structure of UF 4 ·2.5H 2 O was probed using time-of-flight neutron powder diffraction to improve understanding of the crystalline water environments in the structure. The complete structure was elucidated and compared to a previously reported partial structure for UF 4 ·2.5H 2 O and a predicted complete structure from density functional theory. The crystalline structure exhibits three distinct water environments: two of the three water sites are bound to uranium, and the third water is unbound or “free”. Furthermore, the completed structure reveals an extensive hydrogen bonding network involving water–fluorine and water–water interactions. One bound water site participates in hydrogen bonding with nearby fluoride ligands (O–H···F–U), and the second bound water site participates in hydrogen bonding with the unbound water (O–H···O) and a nearby fluoride ligand (O–H···F–U); the unbound water participates in hydrogen bonding with bound water (O–H···O–U). Low-temperature experiments and thermal analysis indicate UF 4 ·2.5H 2 O is thermally stable from 10 to 358 K, undergoes dehydration at higher temperatures, and is nearly dehydrated at 473 K. Structural measurements provide foundational understanding and will inform future investigations of the thermal and environmental stability of UF 4 ·2.5H 2 O.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ultra-grain refinement creates FCC pure cobalt with high strength and high ductility

Although pure cobalt is generally known to have a hexagonal close-packed (HCP) structure at room temperature, we show that its high-temperature face-centered cubic (FCC) phase can be strongly stabilized through grain refinement, resulting in FCC pure cobalt at room temperature. Ultrafine-grained (UFG) FCC cobalt exhibits a hierarchical microstructure consisting of dense stacking fault (SF) networks in the dominant FCC grains and numerous SFs and thin FCC layers within a few HCP plates. This unique microstructure leads to a high tensile strength exceeding 1 GPa, together with a tensile elongation of over 35%, thereby surpassing the well-known strength–ductility trade-off of pure metals. In-situ synchrotron X-ray diffraction revealed that the UFG FCC cobalt exhibited a markedly enhanced deformation-induced FCC→HCP martensitic transformation, which provided sustained strain hardening through the transformation-induced plasticity (TRIP) effect. Furthermore, ultra-grain refinement dramatically suppressed premature void and crack formation, causing a transition in the fracture mode from brittle to ductile. These findings advance the fundamental understanding of the phase stability and TRIP-assisted deformation in elemental cobalt and offer new guidelines for the microstructure-driven design of high-performance cobalt-based structural alloys.

Metastability↗

Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations

This paper presents a large-scale ab initio simulation study of amorphous silicon hydride (a-Si 1-x H x ) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by combining accelerated molecular dynamics (MD) simulations with first-principles density-functional calculations. The accelerated MD scheme relied on classical metadynamics, which enabled the development of 2500+ high-quality structural models of a-Si 1-x H x , with system sizes ranging from 150 to 6000 atoms and hydrogen concentrations vary from 6 to 20 at. %. The resulting amorphous networks were found to be completely free from any coordination defects and that they all exhibited a pristine band-gap in their electronic spectrum. The microstructural properties of hydrogen distributions were examined with an emphasis on the presence of isolated and clustered environments of hydrogen atoms. The results were compared with experimental data obtained from X-ray diffraction, infrared spectroscopy and nuclear magnetic resonance studies.

36 MATERIALS SCIENCE↗

Quantum paramagnetism in a non-Kramers rare-earth oxide: Monoclinic Pr 2 Ti 2 O 7

Little is so far known about the magnetism of the A 2 B 2 O 7 monoclinic layered perovskites that replace the spin-ice supporting pyrochlore structure for r A /r B > 1.78. We show that high quality monoclinic Pr 2 Ti 2 O 7 single crystals with a three-dimensional network of non-Kramers Pr 3+ ions that interact through edge-sharing superexchange interactions, form a singlet ground-state quantum paramagnet that does not undergo any magnetic phase transitions down to, at least, 1.8 K. The chemical phase stability, structure, and magnetic properties of the layered perovskite Pr 2 Ti 2 O 7 were investigated using x-ray diffraction, transmission electron microscopy, and magnetization measurements. Synthesis of polycrystalline samples with the nominal compositions of Pr 2 Ti 2+x O 7 (–0.16 ≤ x ≤ 0.16 ) showed that deviations from the Pr 2 Ti 2 O 7 stoichiometry lead to secondary phases of related structures including the perovskite phase Pr 2/3 TiO 3 and the orthorhombic phases Pr 4 Ti 9 O 24 and Pr 2 TiO 5 . No indications of site disordering (stuffing and antistuffing) or vacancy defects were observed in the Pr 2 Ti 2 O 7 majority phase. A procedure for growth of high-structural-quality stoichiometric single crystals of Pr 2 Ti 2 O 7 by the traveling solvent floating zone method is reported. Thermomagnetic measurements of single-crystalline Pr 2 Ti 2 O 7 reveal an isolated singlet ground state that we associate with the low-symmetry crystal electric-field environments that split the (2J + 1 = 9)-fold degenerate spin-orbital multiplets of the four differently coordinated Pr 3+ ions into 36 isolated singlets resulting in an anisotropic temperature-independent van Vleck susceptibility at low T. Here, a small isotropic Curie term is associated with 0.96(2)% noninteracting Pr 4+ impurities.

36 MATERIALS SCIENCE↗

Ab initio study of the structure and properties of amorphous silicon hydride from accelerated molecular dynamics simulations

This paper presents a large-scale ab initio simulation study of amorphous silicon hydride (a-Si 1-x H x ) with an emphasis on the structure and properties of the material across a range of hydrogen concentration by combining accelerated molecular dynamics (MD) simulations with first-principles density-functional calculations. The accelerated MD scheme relied on classical metadynamics, which enabled the development of 2600+ high-quality structural models of a-Si 1-x H x , with system sizes ranging from 150 to 6,000 atoms and hydrogen concentrations vary from 6 to 20 at. %. The resulting amorphous networks were found to be completely free from any coordination defects and that they all exhibited a pristine band-gap in their electronic spectrum. The microstructural properties of hydrogen distributions were examined with great emphasis on the presence of isolated and clustered environments of hydrogen atoms. The results were compared with a suite of experimental data obtained from x-ray diffraction, infrared spectroscopy, spectroscopic ellipsometry and nuclear magnetic resonance studies.

36 MATERIALS SCIENCE↗

Ultranarrow linewidth, magnetically switched, long pulse, xenon chloride laser

A spectral linewidth of less than 70 fm and diffraction-limited beam divergence have been obtained from a long-pulse, electric-discharge xenon chloride laser with intracavity Fabry-Perot etalons. A gain duration of 100 ns provided for multipass operation of the etalons, significantly improving both contrast and finesse. The electrical-discharge circuit required to produce this long gain duration was comprised of a pulse-forming network, a saturable-inductor magnetic switch, and a tapered constant-impedance interface transmission line.

Pacala, T. J.↗

Sensing Water Vapon via Spacecraft Radio Occultation Observations

The radio occultation technique has been used to characterize planetary atmospheres since the 1960's spanning atmospheric pressures from 16 microbars to several bars. In 1988, the use of GPS signals to make occultation observations of Earth's atmosphere was realized by Tom Yunck and Gunnar Lindal at JPL. In the GPS to low-Earth-orbiter limb- viewing occultation geometry, Fresnel diffraction yield a unique combination of high vertical resolution of 100 m to 1 km at long wavelengths (approx. 20 cm) insensitive to particulate scattering which allows routine limb sounding from the lower mesosphere through the troposphere. A single orbiting GPS/GLONASS receiver can observe - 1000 to 1400 daily occultations providing as many daily, high vertical resolution soundings as the present global radiosonde network, but with far more evenly distributed, global coverage. The occultations yield profiles of refractivity as a function of height. In the cold, dry conditions of the upper troposphere and above (T less than 240 K), profiles of density, pressure (geopotential), and temperature can be derived. Given additional temperature information, water vapor can be derived in the midddle and lower troposphere with a unique combination of vertical resolution, global distribution and insensitivity to clouds and precipitation to an accuracy of approx. 0.2 g/kg. At low latitudes, moisture profiles will be accurate to 1-5% within the convective boundary layer and better than 20% below 6 to 7 km. Accuracies of climatological averages should be approx. 0. 1 g/kg limited by the biases in the temperature estimates. To use refractivity to constrain water vapor, knowledge of temperature is required. The simplest approach is to use the temperature field from an analysis such as the 6 hour ECMWF global analysis interpolated to the locations of each occultation. A better approach is to combine the temperature and moisture fields from such an analysis with the occultation refractivity in a weighting scheme based on the errors in each data field. A ID variational combinational approach has been developed at the UKMO. We win present results from both approaches from GPS/MET data taken in June and July 1995 and compare them with the ECMWF global 6 hour moisture analyses which are derived largely from TOVS and radiosonde data. Overall, the atmosphere below the 500 mb level appears somewhat drier in general than the ECNIWF humidity field. A 2-D (latitude vs. height) climatological snapshot derived from a 2-week span of GPS/MET data will be compared to the humidity climatology of Peixoto and Oort derived from radiosonde data from 1963-1973. Differences between the GPS results and Peixoto and Oort may be the signature of a climate trend over the past 30 years.

Kursinski, E. Robert↗

Revealing the relationship between liquid fragility and medium-range order in silicate glasses

Despite decades of studies, the nature of the glass transition remains elusive. In particular, the sharpness of the dynamical arrest of a melt at the glass transition is captured by its fragility. Here, we reveal that fragility is governed by the medium-range order structure. Based on neutron-diffraction data for a series of aluminosilicate glasses, we propose a measurable structural parameter that features a strong inverse correlation with fragility, namely, the average medium-range distance (MRD). We use in-situ high-temperature neutron-scattering data to discuss the physical origin of this correlation. We argue that glasses exhibiting low MRD values present an excess of small network rings. Such rings are unstable and deform more readily with changes in temperature, which tends to increase fragility. These results reveal that the sharpness of the dynamical arrest experienced by a silicate glass at the glass transition is surprisingly encoded into the stability of rings in its network.

36 MATERIALS SCIENCE↗

NASA Tech Briefs, December 2006

Topic include: Inferring Gear Damage from Oil-Debris and Vibration Data; Forecasting of Storm-Surge Floods Using ADCIRC and Optimized DEMs; User Interactive Software for Analysis of Human Physiological Data; Representation of Serendipitous Scientific Data; Automatic Locking of Laser Frequency to an Absorption Peak; Self-Passivating Lithium/Solid Electrolyte/Iodine Cells; Four-Quadrant Analog Multipliers Using G4-FETs; Noise Source for Calibrating a Microwave Polarimeter; Hybrid Deployable Foam Antennas and Reflectors; Coating MCPs with AlN and GaN; Domed, 40-cm-Diameter Ion Optics for an Ion Thruster; Gesture-Controlled Interfaces for Self-Service Machines; Dynamically Alterable Arrays of Polymorphic Data Types; Identifying Trends in Deep Space Network Monitor Data; Predicting Lifetime of a Thermomechanically Loaded Component; Partial Automation of Requirements Tracing; Automated Synthesis of Architecture of Avionic Systems; SSRL Emergency Response Shore Tool; Wholly Aromatic Ether-Imides as n-Type Semiconductors; Carbon-Nanotube-Carpet Heat-Transfer Pads; Pulse-Flow Microencapsulation System; Automated Low-Gravitation Facility Would Make Optical Fibers; Alignment Cube with One Diffractive Face; Graphite Composite Booms with Integral Hinges; Tool for Sampling Permafrost on a Remote Planet; and Special Semaphore Scheme for UHF Spacecraft Communications.

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