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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Ion Implantation in Narrow-Gap Cd{sub x}Hg{sub 1–x}Te Solid Solutions

The results of experimental studies of processes of the radiation defect formation under ion implantation of narrow-gap Cd{sub x}Hg{sub 1-x}Te solid solutions (MCT) are presented. The processes of formation of structural damages of the crystal and their effect on the electrophysical properties of ion-implanted bulk crystals and ptype heteroepitaxial structures grown by liquid-phase and molecular-beam epitaxy are considered. The results on the spatial distribution of implanted boron atoms and radiation donor centers in these materials are presented as a function of the mass, dose, and energy of ions being implanted and the implantation temperature. The processes and models of the formation of n{sup +}–n{sup -}–p-structures during boron ion implantation in p-type MCT and their experimental proof are considered.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Nanoscale Detection of Intermediate Solid Solutions in Equilibrated Li x FePO 4 Microcrystals

Redox-driven phase transformations in solids determine the performance of lithium-ion batteries, crucial in the technological transition from fossil fuels. Couplings between chemistry and strain define reversibility and fatigue of an electrode. The accurate definition of all phases in the transformation, their energetics, and nanoscale location within a particle produces fundamental understanding of these couplings needed to design materials with ultimate performance. In this paper we demonstrate that scanning X-ray diffraction microscopy (SXDM) extends our ability to image battery processes in single particles. In LiFePO 4 crystals equilibrated after delithiation, SXDM revealed the existence of domains of miscibility between LiFePO 4 and Li 0.6 FePO 4 . These solid solutions are conventionally thought to be metastable, and were previously undetected by spectromicroscopy. The observation provides experimental verification of predictions that the LiFePO 4 –FePO 4 phase diagram can be altered by coherency strain under certain interfacial orientations. Finally, it enriches our understanding of the interaction between diffusion, chemistry, and mechanics in solid state transformations.

25 ENERGY STORAGE↗
DOE OSTI2018

Terahertz Injection Lasers Based on a PbSnSe Solid Solution with an Emission Wavelength up to 50 μm and Their Application in the Magnetospectroscopy of Semiconductors

On the basis of a Pb{sub 1–x}Sn{sub x}Se solid solution, long-wavelength diffusion injection lasers with laser generation up to a record long wavelength of 50.4 μm are created and studied. Pb{sub 1–x}Sn{sub x}Se single crystals are grown from the vapor phase under the conditions of free growth (unseeded vapor-growth technique). By the example of a HgCdTe narrow-gap semiconductor and a quantum-well heterostructure, the possibility of applying the developed lasers in solid-state spectroscopy is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Crystal structure and dielectric properties of layered perovskite-like solid solutions Bi{sub 3–x}Y{sub x}TiNbO{sub 9} (x = 0, 0.1, 0.2, 0.3) with high Curie temperature

The structural and electrophysical characteristics of a number of solid solutions of layered perovskite-like oxides Bi{sub 3–x}Y{sub x}TiNbO{sub 9} (x = 0, 0.1, 0.2, 0.3) have been studied. According to the data of powder X-ray diffraction, all the compounds are single-phase with the structures of two-layer Aurivillius phases (m = 2) with the orthorhombic crystal lattice (space group A2{sub 1}am). The temperature dependence of the relative permittivity ε/ε0(T) compounds have been measured and showed that the Curie temperature of the perovskite-like oxides Bi{sub 3–x}YxTiNbO{sub 9} linearly increases with the substituting parameter x up to T{sub C} = 965°C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Presence of a monoclinic (Pm) phase in the morphotropic phase boundary region of multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution: A Rietveld study

We present here the results of structural studies on multiferroic (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} solid solution using Rietveld analysis on powder x-ray diffraction data in the composition range 0.35 ≤ x ≤ 0.55. The stability region of various crystallographic phases at room temperature for (1 − x)Bi(Ni{sub 1/2}Ti{sub 1/2})O{sub 3}-xPbTiO{sub 3} is determined precisely. Structural transformation from pseudo-cubic (x ≤ 0.40) to tetragonal (x ≥ 0.50) phase is observed via phase coexistence region demarcating the morphotropic phase boundary. The morphotropic phase boundary region consists of coexisting tetragonal and monoclinic structures with space group P4mm and Pm, respectively, stable in composition range 0.41 ≤ x ≤ 0.49 as confirmed by Rietveld analysis. The results of Rietveld analysis completely rule out the coexistence of rhombohedral and tetragonal phases in the morphotropic phase boundary region reported by earlier workers. A comparison between the bond lengths for “B-site cations-oxygen anions” obtained after Rietveld refinement, with the bond length calculated using Shannon-Prewitt ionic radii, reveals the ionic nature of B-O (Ni/Ti-O) bonds for the cubic phase and partial covalent character for the other crystallographic phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

First principles studies on the impact of point defects on the phase stability of (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solutions

Density Functional Theory applying the generalised gradient approximation is used to study the phase stability of (Al{sub x}Cr{sub 1−x}){sub 2}O{sub 3} solid solutions in the context of physical vapour deposition (PVD). Our results show that the energy of formation for the hexagonal α phase is lower than for the metastable cubic γ and B1-like phases–independent of the Al content x. Even though this suggests higher stability of the α phase, its synthesis by physical vapour deposition is difficult for temperatures below 800 °C. Aluminium oxide and Al-rich oxides typically exhibit a multi-phased, cubic-dominated structure. Using a model system of (Al{sub 0.69}Cr{sub 0.31}){sub 2}O{sub 3} which experimentally yields larger fractions of the desired hexagonal α phase, we show that point defects strongly influence the energetic relationships. Since defects and in particular point defects, are unavoidably present in PVD coatings, they are important factors and can strongly influence the stability regions. We explicitly show that defects with low formation energies (e.g. metal Frenkel pairs) are strongly preferred in the cubic phases, hence a reasonable factor contributing to the observed thermodynamically anomalous phase composition.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Alloying effects on low-energy recoil events in concentrated solid-solution alloys

Alloying elements at low-concentrations into pure metals is usually adopted to improve their mechanical properties and irradiation performance. Recently developed single-phase concentrated solid-solution alloys (CSAs) comprised of two or more elements, all at high concentrations, have demonstrated good radiation resistance. CSAs are characterized by their extreme disordered states that arise from the random arrangement of different elements and accompanied random local lattice distortions. In this work, we investigate low-energy recoil events in Ni 0.5 X 0.5 (X = Fe and Co) CSAs and Ni 0.8 X 0.2 (X = Fe, Co, Cr, and Pd) CSAs using ab initio molecular dynamics simulations to understand the effects of different disorder on defect production in CSAs. The threshold displacement energies are determined along three high-symmetric directions by randomly choosing independent primary knock-on atoms in each direction. As expected, the threshold energies in Ni and its CSAs are anisotropic, with the highest values found in the [111] direction. The calculated threshold energies of Fe in NiFe are smaller than those in NiCo and Ni, especially along the [111] direction. An inspection of the atomic trajectories inside the collision cascade reveals that the effect of chemical disorder outweighs the site-to-site lattice distortions in determining the threshold energies. Especially, different interaction properties between elements due to their different electronic structures are responsible for the observed different threshold energies. Finally, the local environment dependence of threshold energies suggests that local elemental arrangement can be used to understand and predict threshold energies in disordered alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2018

On the Mechanisms of Formation of Memory Channels and Development of Negative Differential Resistance in Solid Solutions of the ТlInТe{sup 2}–ТlYbТe{sup 2} System

The behavior of an electronic subsystem is investigated in the course of formation and development of a memory channel in solid solutions of the TlInTe2–TlYbTe2 system. An analysis of the current-voltage characteristics allows getting an insight into the reason for a sharp change in electrical conductance of the specimens under study during their transition from the high-resistance to high-conductance state and the reasons for the well known instability of threshold converters, which makes it possible to design devices with high threshold voltage stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Temperature dependence of the carrier lifetime in narrow-gap Cd{sub x}Hg{sub 1–x}Te solid solutions: Radiative recombination

The probability of the radiative recombination of carriers in narrow-gap semiconductors is analyzed for the example of Cd{sub x}Hg{sub 1–x}Te solid solutions. Expressions are derived for the imaginary part of the dielectric permittivity in terms of the three-band Kane’s model with consideration for the nonparabolic dependence of the carrier energy on the wave vector. It is shown that taking into account this nonparabolicity of the energy spectrum of carriers modifies the dependence of the imaginary part of the dielectric permittivity on frequency. Expressions for the probability of radiative recombination, derived in terms of the simple parabolic model and Kane’s model with and without the nonparabolicity effect taken into account, are compared. It is shown that the contributions to recombination from electron transitions to heavy- and light-hole bands are close and the contribution from light holes cannot be neglected when calculating the radiative-recombination probability.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Concentration-dependent self-diffusion coefficients in amorphous Si{sub 1−x}Ge{sub x} solid solutions: An interdiffusion study

Self-diffusion coefficients of Si and Ge in amorphous Si{sub 1−x}Ge{sub x} (a-Si{sub 1−x}Ge{sub x}) solid solutions were determined quantitatively in the temperature range of 440 °C – 460 °C by the investigation of interdiffusion in amorphous Si/Si{sub 0.52}Ge{sub 0.48} multilayers using Auger electron spectroscopy sputter-depth profiling. The determined concentration dependent self-diffusion coefficients of Si and Ge in a-Si{sub 1−x}Ge{sub x} with 0 ≤ x ≤ 0.48 at. % Ge are about ten orders of magnitude larger than in the corresponding crystalline phases, due to the inherent, excess free volume in the amorphous phase. The self-diffusion coefficient of Si (or Ge) in a-Si{sub 1−x}Ge{sub x} increases in association with a decreasing activation enthalpy with increasing Ge concentration. This concentration dependence has been related to an overall decrease of the average bond strength with increasing Ge concentration.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Direct observation of charge mediated lattice distortions in complex oxide solid solutions

Using aberration corrected scanning transmission electron microscopy combined with advanced imaging methods, we directly observe atom column specific, picometer-scale displacements induced by local chemistry in a complex oxide solid solution. Displacements predicted from density functional theory were found to correlate with the observed experimental trends. Further analysis of bonding and charge distribution was used to clarify the mechanisms responsible for the detected structural behavior. By extending the experimental electron microscopy measurements to previously inaccessible length scales, we identified correlated atomic displacements linked to bond differences within the complex oxide structure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Spectroscopic and laser characteristics of ceramics based on Yb{sup 3+}-doped Lu{sub 2}O{sub 3}–Y{sub 2}O{sub 3} solid solution

We report on quasi-cw lasing at a wavelength of 1031 nm with a maximum power of 8 W and a slope efficiency of 32.3 % achieved in a thin-disk ceramic element based on ytterbium-doped solid solution of yttrium and lutetium sesquioxides. A sample of Yb : (Lu, Y){sub 2}O{sub 3} ceramics was fabricated by solid-state sintering of nanosized particles of a predetermined composition synthesised by laser ablation. The study of the spectral and luminescent characteristics of the obtained ceramics shows that partial substitution of Y{sup 3+} cations by Lu{sup 3+} cations broadens the absorption, luminescence, and laser spectra and shifts their peaks with respect to those of Yb:Y{sub 2}O{sub 3} ceramics. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Microstructure and mechanical properties of oxide dispersion strengthened FeCoNi concentrated solid solution alloys

Microstructure and mechanical properties of two kinds of oxide dispersion strengthened concentrated solid solution alloys (CSAs), FeCoNi-1.5Y 2 O 3 (FCNY) and FeCoNi-1.2Ti-1.5Y 2 O 3 (FCNTY), are studied through a comparing investigation with FeCoNi (FCN) CSAs. All these alloys are fabricated by mechanical alloying, spark plasma sintering, hot rolling and annealing treatment. For three kinds of alloys, both the as-milled powders and bulk materials are of single face-centered cubic structure. Electron backscattered diffraction results reveal that the texture transformation is suppressed during the hot rolling process because the movement of grain boundaries is hindered by the oxide particles. Compared with FCN CSAs, grains are refined by 43% and 47% for FCNY and FCNTY CSAs, respectively. Nano-sized Y 2 O 3 (monoclinic structure) and Y 2 Ti 2 O 7 (pyrochlore structure) particles are uniformly distributed in FCNY and FCNTY CSAs, respectively. Both Y2O3 and Y2Ti2O7 particles show a semi-coherent relationship with the matrix. Yield strength of FCN, FCNY and FCNTY CSAs is 559, 981 and 1050 MPa, respectively. Theoretical calculations illustrate that high strength of FCNY and FCNTY CSAs comes from refined grains and high-density nano-sized oxide particles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

High Voltage Mg-Ion Battery Cathode via a Solid Solution Cr–Mn Spinel Oxide

We discuss how lattice Mg 2+ in a tailored solid solution spinel, MgCrMnO 4 , is electrochemically utilized at high Mn-redox potentials in a nonaqueous electrolyte. Complementary evidence from experimental and theoretical analyses supports bulk Mg 2+ (de)intercalation throughout the designed oxide frame where strong electrostatic interaction between Mg 2+ and O 2- exists. Mg/Mn antisite inversion in the spinel is lowered to similar to 10% via postannealing at 350 degrees C to further improve Mg 2+ mobility. Spinel lattice is preserved upon removal of Mg 2+ without any phase transformations, denoting structural stability at the charged state at a high potential similar to 3.0 V (vs Mg/Mel. Clear remagnesiation upon first discharge, harvesting up to similar to 180 Wh/kg at 60 degrees C is shown. In the remagnesiated state, insertion of Mg 2+ into interstitial sites in the spinel is detected, possibly resulting in partial reversibility which needs to be addressed for structural stability. The observations constitute a first clear path to the development of a practical high voltage Mg-ion cathode using a spinel oxide.

25 ENERGY STORAGE↗
DOE OSTI2018

Size Effect in the Phase Separation of Cr–W Solid Solutions

Size effects in phase transformations of nanoscale systems show up as significant changes in their phase diagram. Here, using a thermodynamic approach we demonstrate how the immiscibility region of Cr–W solid solutions is influenced by their particle size. For 40- and 70-nm-diameter particles, we consider two thermodynamically stable states with a core–shell configuration, differing in the composition of the core phase. It is shown that, in the nanometer range, one of these states becomes metastable and that the phase diagrams of the stable and metastable states differ significantly. Reducing the particle size leads to a decrease in the upper critical dissolution temperature (UCDP) by 300–400 K and marked changes in the mutual solubility of the components at temperatures comparable to the UCDP.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Nonisothermal Nucleation in the Solid Solution CuCl in Glass: Temperature Range of the Formation of Supercritical Nuclei of CuCl Phase

It is established both experimentally and by calculations that the nuclei of CuCl phase do not form in the solid solution of CuCl in the glass at the temperature T{sub u} ≥ 600°C. At the temperature of 500°C, nuclei do not form due to a low diffusion coefficient. In the temperature range of 500–600°C maximums of the flow of new clusters and the critical radius are almost at the same temperature. The supersaturation is minimal in the area of maximum. The experimental dependence of the formation rate of CuCl clusters on temperature is in a good agreement with the calculated one. It is shown that the concentration of nuclei, its average radius, and the width of distribution by radii can be effectively controlled using the cooling “on the top.” The narrow distributions of CuCl clusters in the glass with the relative half-width of about 3.7% are obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗