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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 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Magnetic Properties of Bismuth-Doped Ytterbium and Holmium Pyrochlore Titanates

Bismuth-doped ytterbium and holmium titanates have been synthesized and their magnetic properties have been investigated. The magnetization curves and temperature dependences of the susceptibility in fields of up to 30 kOe at temperatures from 2 to 300 K have been obtained. The properties of the doped and undoped titanates have been compared. It has been established that the temperature dependences of the product of susceptibility and temperature contains a linear portion and the slope sign in these dependences changes upon doping for both the Ho{sub 2}Ti{sub 2}O{sub 7} and Yb{sub 2}Ti{sub 2}O{sub 7} titanates. Based on the investigated temperature dependences of the susceptibility, the magnetic dipole and exchange couplings in the titanates have been analyzed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Structural and Thermoelectric Properties of Black Arsenic–Phosphorus

Here, we report the structural and temperature dependent transport properties of As x P 1-x (x = 0, 0.2, 0.5, 0.83, 1) alloys. It is observed that black phosphorous (BP)-related phonon modes in the alloy samples are red-shifted with increasing arsenic concentration, while black arsenic-related modes in these samples are blue-shifted with increasing phosphorus concertation. As the arsenic concentration, x increases from 0 to 1, the 4-probe resistance of the As x P 1-x alloys is found to decrease by more than 3 orders of magnitude. The transport studies reveal that samples with the highest arsenic concentration (x = 1 and 0.83) show metallic behavior in the temperature dependence of resistance with a small thermopower at room temperature with an anomalous temperature dependence. In contrast, the samples with high phosphorus concentration (x = 0, 0.2, and 0.5) show very large thermopower values at room temperature reaching a value as high as 803 μV/k for x = 0.2. The temperature dependence of the thermopower of these samples can be well described by the variable range hopping (VRH) mechanism in two-dimensions (2-d), S ~ T 1/3 . Similarly, their 4-probe resistance (R) values can be fitted with 2-d VRH mechanism, R ~ exp(T -1/3 ).

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

Abstract The nature of magnetic correlation at low temperature in two‐dimensional artificial magnetic honeycomb lattice is a strongly debated issue. While theoretical researches suggest that the system will develop a novel zero entropy spin solid state as T → 0 K, a confirmation to this effect in artificial honeycomb lattice of connected elements is lacking. This study reports on the investigation of magnetic correlation in newly designed artificial permalloy honeycomb lattice of ultrasmall elements, with a typical length of ≈12 nm, using neutron scattering measurements and temperature‐dependent micromagnetic simulations. Numerical modeling of the polarized neutron reflectometry data elucidates the temperature‐dependent evolution of spin correlation in this system. As temperature reduces to ≈7 K, the system tends to develop novel spin solid state, manifested by the alternating distribution of magnetic vortex loops of opposite chiralities. Experimental results are complemented by temperature‐dependent micromagnetic simulations that confirm the dominance of spin solid state over local magnetic charge ordered state in the artificial honeycomb lattice with connected elements. These results enable a direct investigation of novel spin solid correlation in the connected honeycomb geometry of 2D artificial structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Selective Hydroxylation of In 2 O 3 as A Route to Site-Selective Atomic Layer Deposition

We report that several atomic layer deposition (ALD) processes are now known that leverage the distinct surface chemistry of two disparate substrates (e.g., metal vs oxide) to realize markedly different ALD nucleation rates in an approach referred to as area-selective ALD. In contrast, few ALD processes have been identified that allow selective reaction at distinct surface sites of a single material surface, in a process that might be called site-selective ALD (SS-ALD). We describe one potential strategy to discriminate among several distinct surface sites on bixbyite In 2 O 3 to achieve site selectivity. Using density functional theory, we predict the discriminant hydration and hydroxylation of In 2 O 3 terrace and step-edge sites that depend strongly on the substrate temperature at low water coverage. Infrared measurement of surface hydroxyls on In 2 O 3 nanoparticles supports the predicted temperature dependence. The in situ examination of MgO ALD nucleation also shows results consistent with the predicted temperature dependence of In 2 O 3 hydroxylation. Together, these findings suggest that a selective hydroxylation approach may be a viable route to SS-ALD on In 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A method for the monitoring of metal recrystallization based on the in-situ measurement of the elastic energy release using neutron diffraction

A method is proposed for the monitoring of metal recrystallization using neutron diffraction that is based on the measurement of stored energy. Experiments were performed using deformed metal specimens heated in-situ while mounted at the sample position of the High Resolution Powder Diffractometer, HRPD (ISIS Facility), UK. Monitoring the breadth of the resulting Bragg lines during heating not only allows the time-dependence (or temperature-dependence) of the stored energy to be determined but also the recrystallized fraction. The analysis method presented here was developed using pure nickel (Ni270) specimens with different deformation levels from 0.29 to 0.94. In situ temperature ramping as well as isothermal annealing was undertaken. The method developed in this work allows accurate and quantitative monitoring of the recrystallization process. The results from neutron diffraction are satisfactorily compared to data obtained from calorimetry and hardness measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Identification of the limiting factors for high-temperature GaAs, GaInP, and AlGaInP solar cells from device and carrier lifetime analysis

We analyze the temperature-dependent dark saturation current density and open-circuit voltage (VOC) for GaAs, GaInP, and AlGaInP solar cells from 25 to 400 degrees C. As expected, the intrinsic carrier concentration, ni, dominates the temperature dependence of the dark currents. However, at 400 degrees C, we measure VOC that is ~50 mV higher for the GaAs solar cell and ~60-110 mV lower for the GaInP and AlGaInP solar cells compared to what would be expected from commonly used solar cell models that consider only the ni2 temperature dependence. To better understand these deviations, we measure the carrier lifetimes of p-type GaAs, GaInP, and AlGaInP double heterostructures (DHs) from 25 to 400 degrees C using time-resolved photoluminescence. Temperature-dependent minority carrier lifetimes are analyzed to determine the relative contributions of the radiative recombination, interface recombination, Shockley-Read-Hall recombination, and thermionic emission processes. We find that radiative recombination dominates for the GaAs DHs with the effective lifetime approximately doubling as the temperature is increased from 25 degrees C to 400 degrees C. In contrast, we find that thermionic emission dominates for the GaInP and AlGaInP DHs at elevated temperatures, leading to a 3-4x reduction in the effective lifetime and ~40x increase in the surface recombination velocity as the temperature is increased from 25 degrees C to 400 degrees C. These observations suggest that optimization of the minority carrier confinement layers for the GaInP and AlGaInP solar cells could help to improve VOC and solar cell efficiency at elevated temperatures. We demonstrate VOC improvement at 200-400 degrees C in GaInP solar cells fabricated with modified AlGaInP window and back surface field layers.

14 SOLAR ENERGY↗
DOE OSTI2017

Raman scattering in single-crystal sapphire at elevated temperatures

Sapphire is a widely used high-temperature material and this work presents thorough characterization of all the measurable Raman scattering modes in sapphire and their temperature dependencies. Here, Raman scattering in bulk sapphire rods is measured from room temperature to 1081 °C and is illustrated as a method of noncontact temperature measurement. A single-line argon ion laser at 488 nm was used to excite the sapphire rods inside a cylindrical furnace. All the anti-Stokes peaks (or lines) were observable through the entire temperature range of interest, while Stokes peaks were observable until they were obscured by background thermal emission. Temperature measurements were found to be most reliable for A 1g and E g modes using the peaks at ±418, ±379, +578, +645, and, +750 cm -1 (+ and – are designated for Stokes and anti-Stokes peaks respectively). The 418 cm -1 peak was found to be the most intense peak. The temperature dependence of peak position, peak width, and peak area of the ±418 and ±379 peaks is presented. For +578, +645 and +750, the temperature dependence of peak position is presented. The peaks’ spectral positions provide the most precise temperature information within the experimental temperature range. Finally, the resultant temperature calibration curves are given, which indicate that sapphire can be used in high-temperature Raman thermometry with an accuracy of about 1.38°C average standard deviation over the entire >1000°C temperature range.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2019

Out-of-Phase Thermomechanical Fatigue Behavior of a NiCrAlYSi-Coated Superalloy

Arc ion plating was employed on a directionally solidified nickel-based superalloy to deposit a NiCrAlYSi coating. The failure behavior of the coated cylindrically specimens under thermomechanical fatigue loadings was experimentally investigated. The results show that the effect of coatings on TMF lives is dependent on the temperature ranges, and the TMF life with dwell time is reduced compared to the one without dwells. Through microstructure observation methods, the Al-rich areas in the coatings especially near the interfaces of the coating and superalloy are crack initiation sites. The combination of temperature dependent localized oxidation and stress concentration at the crack tip dominate the crack initiation and small crack propagation procedure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental and theoretical description of the process of contact laser surgery with a titanium-doped optothermal fibre converter

In an in vitro experiment simulating a surgeon’s actions in the process of contact laser surgery of soft biological tissue, the dependences of the temperature of a titanium-doped optothermal fibre converter (TOTFC) and the depths of coagulation and ablation of biological tissue on the average radiation power of a diode laser with a wavelength of 980 nm and on the speed of the converter movement along biological tissue are obtained. The structural, optical, and thermophysical models of TOTFC are discussed, as well as the thermophysical model of the interaction of a laser-heated converter with biological tissue, which takes into account the temperature dependences of the basic thermophysical parameters of the converter and biological tissue, as well as the contribution of the thickness h{sub int} of the water vapour layer between the converter and biotissue. It is shown that the proposed model allows describing the result of contact laser surgery of soft biotissue with TOTFC adequately to the experiment. (laser biophotonics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Phase transition and negative thermal expansion of HfMnMo3O12

Highlights: • HfMnMo{sub 3}O{sub 12} exhibits negative thermal expansion from 373 K to 773 K. • The linear CTE of HfMnMo{sub 3}O{sub 12} is −3.8 × 10{sup −6} K{sup −1}. • Vibrational modes corresponding to librational and translational motions of the polyhedra are observed. - Abstract: A novel compound HfMnMo{sub 3}O{sub 12} with negative thermal expansion (NTE) was synthesized using solid state method. The crystal structure, fracture morphology and NTE properties of the material were investigated by temperature-dependent X-ray diffraction (XRD), scanning electron microscope (SEM) and temperature-dependent Raman spectra. Our experimental results show that the compound adopts a monoclinic symmetry below room temperature and transforms to an orthorhombic phase above 348 K. In the orthorhombic phase the compound exhibits NTE property with a linear coefficient of thermal expansion (CTE) −3.8 × 10{sup −6} K{sup −1} from 400 K to 700 K. The physical mechanism of the NTE is discussed and elucidated according to our experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Utility of Shockley–Read–Hall analysis to extract defect properties from semiconductor minority carrier lifetime data

The semiconductor minority carrier lifetime contains information about several important material properties, including Shockley–Read–Hall defect levels/concentrations and radiative/Auger recombination rates, and the complex relationships between these parameters produce a non-trivial temperature-dependence of the measured lifetime. It is tempting to fit temperature-dependent lifetime data to extract the properties of the Shockley–Read–Hall recombination centers; however, without a priori knowledge of the distribution of the Shockley–Read–Hall states across the bandgap, this fit problem is under-constrained in most circumstances. Shockley–Read–Hall lifetime data are not well-suited for the extraction of Shockley–Read–Hall defect levels but can be used effectively to extract minority carrier recombination lifetimes. The minority carrier recombination lifetime is observed at temperatures below 100 K in a Si-doped n-type InGaAs/InAsSb superlattice, and deviation from its expected temperature-dependence indicates that the capture cross section of the defect associated with Si-doping has an activation energy of 1.5 meV or a characteristic temperature of 17 K. This lower temperature regime is also preferrable for the analysis of the physics of defect introduction with displacement-damage-generating particle irradiation.

Physics↗
DOE OSTI2017

Methanol Formation via Oxygen Insertion Chemistry in Ices

We present experimental constraints on the insertion of oxygen atoms into methane to form methanol in astrophysical ice analogs. In gas-phase and theoretical studies this process has previously been demonstrated to have a very low or nonexistent energy barrier, but the energetics and mechanisms have not yet been characterized in the solid state. We use a deuterium UV lamp filtered by a sapphire window to selectively dissociate O{sub 2} within a mixture of O{sub 2}:CH{sub 4} and observe efficient production of CH{sub 3}OH via O({sup 1}D) insertion. CH{sub 3}OH growth curves are fit with a kinetic model, and we observe no temperature dependence of the reaction rate constant at temperatures below the oxygen desorption temperature of 25 K. Through an analysis of side products we determine the branching ratio of ice-phase oxygen insertion into CH{sub 4}: ∼65% of insertions lead to CH{sub 3}OH, with the remainder leading instead to H{sub 2}CO formation. There is no evidence for CH{sub 3} or OH radical formation, indicating that the fragmentation is not an important channel and that insertions typically lead to increased chemical complexity. CH{sub 3}OH formation from O{sub 2} and CH{sub 4} diluted in a CO-dominated ice similarly shows no temperature dependence, consistent with expectations that insertion proceeds with a small or nonexistent barrier. Oxygen insertion chemistry in ices should therefore be efficient under low-temperature ISM-like conditions and could provide an important channel to complex organic molecule formation on grain surfaces in cold interstellar regions such as cloud cores and protoplanetary disk midplanes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Conductivity of a spin-polarized two-dimensional hole gas at very low temperature

In the ballistic regime where k{sub B}Tτ / ħ ≥1, the temperature dependence of the metallic conductivity in a two-dimensional hole system of gallium arsenide, is found to change non-monotonically with the degree of spin polarization. In particular, it fades away just before the onset of complete spin polarization, but reappears again in the fully spin-polarized state, being, however, suppressed relative to the zero magnetic field case. The analysis of the degree of suppression can distinguish between screening and interaction-based theories. We show that in a fully polarized spin state, the effects of disorder are dominant and approach a strong localization regime, which is contrary to the behavior of 2D electron systems in a weakly disordered unpolarized state. It was found that the elastic relaxation time correction, depending on the temperature, changed significantly with the degree of spin polarization, to reach a minimum just below the start of the spin-polarized integer, where the conductivity is practically independent of temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Low temperature structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} single crystal: Evidences from optical ellipsometry and Raman scattering

Optical properties and structural variations of Na{sub 0.5}Bi{sub 0.5}TiO{sub 3}-7%BaTiO{sub 3} (NBT-7%BT) single crystal have been studied by temperature-dependent optical ellipsometry and Raman spectroscopy from 4.2 to 300 K. The second derivative of the complex dielectric functions reveals two interband transitions (E{sub cp1} and E{sub cp2}) located at about 3.49 and 4.25 eV, respectively. Depending on the temperature evolution of electronic transitions, structural variations appear near 60, 150, and 240 K, respectively. These anomalies are also well illustrated from the low-frequency phonon modes involving vibrations of Bi. The low-temperature structural variations of NBT-7%BT crystal can be associated with instability of the crystalline lattice driven by off-centered Bi ions, followed by the variations of polarizability of the unit cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

String melting in a photon bath

We compute the decay rate of a metastable cosmic string in contact with a thermal bath by finding the instanton solution. The new feature is that this decay rate is found in the context of non thermal scalar fields in contact with a thermal bath of photons. In general, to make topologically unstable strings stable, one can couple them to such a bath. The resulting plasma effect creates metastable configurations which can decay from the false vacuum to the true vacuum. In our specific set-up, the instanton computation is realized for the case of two out-of-equilibrium complex scalar fields: one is charged and coupled to the photon field, and the other is neutral. New effects coming from the thermal bath of photons make the radius of the nucleated bubble and most of the relevant physical quantities temperature-dependent. However, the temperature appears in a different way than in the purely thermal case, where all scalar fields are in thermal equilibrium. As a result of the tunneling, the core of the initial string melts while bubbles of true vacuum expand at the speed of light.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Thin film combinatorial sputtering of Al-Ce alloys: Investigating the phase separation of as-deposited solid solutions and determining the coefficient of thermal expansion

Al x Ce 100–x thin films with a composition range of ~75.0 < x < 99.5 at% (36.5 < x < 97.5 wt%) were synthesized via combinatorial co-sputtering from an Al and an Al 50 Ce 50 target. The crystal structure, phase fraction, film morphology, electrical resistivity, and temperature-dependent coefficients of thermal expansion (CTE) are all correlated to the Al x Ce 100–x composition. The as-deposited films form a metastable solid-solution, and annealing leads to the formation of the thermodynamically stable two-phase system of Al and the α-Al 11 Ce 3 intermetallic. Temperature dependent x-ray diffraction (XRD) reveals that the two phases expand independently of one another, and the thin film Al temperature-dependent CTE is similar to bulk Al. The thin film Al 11 Ce 3 intermetallic phase has a nearly constant CTE of ~1.5 × 10 –5 /°C within the temperature range studied (25–550 °C). To confirm the thin film Al 11 Ce 3 results, bulk stoichiometric Al 11 Ce 3 and +/- 1 wt% Ce samples were prepared and the CTE of each was measured with the same conditions. A Rietveld analysis of the bulk data enabled an estimation of the CTE in each of the 3 orthorhombic lattice parameters, which displayed anisotropic behavior. The thin film and bulk CTE measurements were in very good agreement. Estimations of the temperature dependent CTE of the two-phase alloys are made via the Reuss and Voigt models. Finally, by demonstrating the efficacy of the approach, more complex multi-component rapid materials discovery of low CTE Al-alloys can be pursued via the combinatorial thin film synthesis and XRD measurement.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Scattering from Incipient Stripe Order in the High-temperature Superconductor Bi2Sr2CaCu2O8

Recently, we have used spectroscopic mapping with a scanning tunneling microscope to probe modulations of the electronic density of states in single crystals of the high-temperature superconductor Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} (Bi-2212) as a function of temperature [C.V. Parker et al. Nature (London) 468 677 (2010)]. These measurements showed Cu-O bond-oriented modulations that form below the pseudogap temperature with a temperature-dependent energy dispersion displaying different behaviors in the superconducting and pseudogap states. Here we demonstrate that quasiparticle scattering from impurities does not capture the experimentally observed energy and temperature dependence of these modulations. Instead, a model of scattering of quasiparticles from short-range stripe order, with periodicity near four lattice constants (4a), reproduces the experimentally observed energy dispersion of the bond-oriented modulations and its temperature dependence across the superconducting critical temperature T{sub c}. The present study confirms the existence of short-range stripe order in Bi-2212.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗