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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Reactive sintering of tungsten-doped high strength ZrB{sub 2}–SiC porous ceramics using metastable precursors

Graphical abstract: - Highlights: • Tungsten-doped porous ZrB{sub 2}–SiC specimens were fabricated by reactive sintering. • Both sintering and mechanical properties were improved by doping with tungsten. • Optimum concentration to obtain high mechanical properties was W/Zr (mol) = 0.05. • Sintering might be promoted by self-accelerated diffusion. • Mechanical properties might be improved by solid solution strengthening. - Abstract: Tungsten-doped porous ZrB{sub 2}-20 vol.% SiC specimens with a high strength skeleton were fabricated by reactive sintering using metastable reactants, i.e., as-synthesized amorphous hydrous ZrO{sub 2}–WO{sub 3}/ZrO{sub 2}, amorphous boron, nanocarbon, and β-SiC. Doping with tungsten clearly promoted sintering and improved mechanical properties; the optimum tungsten concentration to obtain high mechanical properties was investigated. A single-phase solid solution (Zr,W)B{sub 2} was formed in the specimens with tungsten. We suggest that sintering was promoted by self-accelerated diffusion owing to the formation of point defects caused by doping with tungsten. The improvement of mechanical properties could be attributed to solid solution strengthening.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Tunable Oxygen Diffusion and Electronic Conduction in SrTiO 3 by Dislocation-Induced Space Charge Fields

Plastic strain engineering has been applied to induce controllable changes in electronic and oxygen ion conductivity in oxides by orders of magnitude, without changing their nominal composition. By using SrTiO 3 as a model system of technological importance, and by combining electrical and chemical tracer diffusion experiments with computational modeling, it is revealed that dislocations alter the equilibrium concentration and distribution of electronic and ionic defects. The easier reducibility of the dislocation cores increases the n-type conductivity by 50 times at oxygen pressures below 10 -5 atm at 650 °C. At higher oxygen pressures the p-type conductivity decreases by 50 times and the oxygen diffusion coefficient reduces by three orders of magnitude. The strongly altered electrical and oxygen diffusion properties in SrTiO 3 arise because of the existence of overlapping electrostatic fields around the positively charged dislocation cores. The findings and the approach are broadly important and have the potential for significantly impacting the functionalities of electrochemical and/or electronic applications such as thin film oxide electronics, memristive systems, sensors, micro-solid oxide fuel cells, and catalysts, whose functionalities rely on the concentration and distribution of charged point defects.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Dynamic mechanical properties of a Ti-based metallic glass matrix composite

Dynamic mechanical behavior of a Ti{sub 50}Zr{sub 20}Nb{sub 12}Cu{sub 5}Be{sub 13} bulk metallic glass composite was investigated using mechanical spectroscopy in both temperature and frequency domains. Storage modulus G′ and loss modulus G″ are determined by temperature, and three distinct regions corresponding to different states in the bulk metallic glass composite are characterized. Physical parameters, such as atomic mobility and correlation factor χ, are introduced to analyze dynamic mechanical behavior of the bulk metallic glass composite in the framework of quasi-point defects (QPD) model. The experimental results are in good agreement with the prediction of QPD model.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Formation of donor centers upon the annealing of silicon light-emitting structures implanted with oxygen ions

It is found that the implantation of silicon with oxygen ions and subsequent annealing at high temperatures are accompanied by the formation of electrically active donor centers and by the p-n conversion of the conductivity of silicon. The concentration and spatial distribution of these centers depend on the annealing temperature. The results are accounted for by the interaction of oxygen atoms with intrinsic point defects formed upon the annealing of implantation damages.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Polarized micro Raman scattering spectroscopy for curved edges of epitaxial graphene

This letter performed polarized microscopic laser Raman scattering spectroscopy on the curved edges of transferred epitaxial graphene on SiO{sub 2}/Si. The intensity ratio between the parallel and perpendicular polarized D band is evolved, providing a spectroscopy-based technique to probe the atomic-scale edge structures in graphene. A detailed analysis procedure for non-ideal disordered curved edges of graphene is developed combining the atomic-scale zigzag and armchair edge structures along with some point defects. These results could provide valuable information of the realistic edges of graphene at the atomic-scale that can strongly influence the performance of graphene-based nanodevices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Local triboelectrification of an n-GaAs surface using the tip of an atomic-force microscope

The method of scanning Kelvin-probe microscopy is used to show that the effect of triboelectrification is observed when the tip of an atomic-force microscope interacts with the surface of n-GaAs epitaxial layers. The sign of the change in the potential indicates that the sample surface after triboelectrification becomes more negative. The observed specific features of the phenomena can be attributed to the thermally activated generation of point defects in the vicinity of the sample surface due to deformation caused by the tip.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Lattice thermal conductivity of nanograined half-Heusler solid solutions

We report a phenomenological model of atomic weight, lattice constant, temperature, and grain size to calculate the high-temperature lattice thermal conductivity of nanograined solid solutions. The theoretical treatment developed here is reasonably consistent with the experimental results of n-type MNiSn and p-type MCoSb alloys, where M is the combination of Hf, Zr, and Ti. For disordered half-Heusler alloys with moderated grain sizes, we predict that the reduction in lattice thermal conductivity due to grain boundary scattering is independent of the scattering parameter, which characterizes the phonon scattering cross section of point defects. In addition, the lattice thermal conductivity falls off with temperature as T{sup –1∕2} around the Debye temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Characterization of the deep levels responsible for non-radiative recombination in InGaN/GaN light-emitting diodes

This paper presents an extensive investigation of the deep levels related to non-radiative recombination in InGaN/GaN light-emitting diodes (LEDs). The study is based on combined optical and deep-level transient spectroscopy measurements, carried out on LEDs with identical structure and with different values of the non-radiative recombination coefficient. Experimental data lead to the following, relevant, results: (i) LEDs with a high non-radiative recombination coefficient have a higher concentration of a trap (labeled as “e{sub 2}”) with an activation energy of 0.7 eV, which is supposed to be located close to/within the active region; (ii) measurements carried out with varying filling pulse duration suggest that this deep level behaves as a point-defect/dislocation complex. The Arrhenius plot of this deep level is critically compared with the previous literature reports, to identify its physical origin.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Solubility of oxygen in CdS single crystals and their physicochemical properties

The specific features of oxygen dissolution in CdS using the example of single crystals grown by the gas-transport method with deviations from stoichiometry at 1100°C are considered. The effect of various types of intrinsic point defects in crystals of different composition on the form in the presence of oxygen is analyzed. It is shown that the most stable composition thermodynamically is that corresponding to nonstoichiometric “self-activated cadmium sulphide” stabilized with oxygen.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Copper intercalation at the interface of graphene and Ir(111) studied by scanning tunneling microscopy

We report on the intercalation of a submonolayer of copper at 775 K underneath graphene epitaxially grown on Ir(111) studied by means of low energy electron diffraction (LEED) and scanning tunneling microscopy (STM) at 77 K. Nucleation and growth dynamics of Cu below graphene have been investigated, and, most importantly, the intercalation mechanism has been identified. First, LEED patterns reveal the pseudomorphic growth of Cu on Ir under the topmost graphene layer resulting in a large Cu in-plane lattice parameter expansion of about 6% compared to Cu(111). Second, large-scale STM topographs as a function of Cu coverage show that Cu diffusion on Ir below graphene exhibits a low energy barrier resulting in Cu accumulation at Ir step edges. As a result, the graphene sheet undergoes a strong edges reshaping. Finally, atomically-resolved STM images reveal a damaged graphene sheet at the atomic scale after metal intercalation. Point defects in graphene were shown to be carbon vacancies. According to these results, a Cu penetration path beneath graphene is proposed to occur via metal aided defect formation with no or poor self healing of the graphene sheet. This work illustrates the fact that Cu intercalation is harmful for graphene grown on Ir(111) at the atomic scale.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Defect Structure of GaAs Layers Implanted with Nitrogen Ions

Structural defects formed in epitaxial GaAs layers as a result of 250-keV N{sup +} ion implantation to doses within 5 × 10{sup 14}–5 × 10{sup 16} cm{sup –2} have been studied by the X-ray diffraction (XRD) and transmission electron microscopy techniques. No amorphization of the ion-implanted layer took place in the entire dose range studied. The implantation to doses of 5 × 10{sup 14} and 5 × 10{sup 15} cm{sup –2} led to the appearance of an additional peak on XRD curves, which was related to the formation of a stressed GaAs layer with positive deformation arising due to the formation of point-defect clusters. The implantation to a dose of 5 × 10{sup 16} cm{sup –2} led to the formation of a dense structure of extended defects in the implanted layer, which was accompanied by the relaxation of macrostresses to the initial state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

High figure of merit and thermoelectric properties of Bi-doped Mg{sub 2}Si{sub 0.4}Sn{sub 0.6} solid solutions

The study of Mg{sub 2}Si{sub 1−x}Sn{sub x}-based thermoelectric materials has received widespread attention due to a potentially high thermoelectric performance, abundant raw materials, relatively low cost of modules, and non-toxic character of compounds. In this research, Mg{sub 2.16}(Si{sub 0.4}Sn{sub 0.6}){sub 1−y}Bi{sub y} solid solutions with the nominal Bi content of 0≤y≤0.03 are prepared using a two-step solid state reaction followed by spark plasma sintering consolidation. Within this range of Bi concentrations, no evidence of second phase segregation was found. Bi is confirmed to occupy the Si/Sn sites in the crystal lattice and behaves as an efficient n-type dopant in Mg{sub 2}Si{sub 0.4}Sn{sub 0.6}. Similar to the effect of Sb, Bi doping greatly increases the electron density and the power factor, and reduces the lattice thermal conductivity of Mg{sub 2.16}Si{sub 0.4}Sn{sub 0.6} solid solutions. Overall, the thermoelectric figure of merit of Bi-doped Mg{sub 2.16}Si{sub 0.4}Sn{sub 0.6} solid solutions is improved by about 10% in comparison to values obtained with Sb-doped materials of comparable dopant content. This improvement comes chiefly from a marginally higher Seebeck coefficient of Bi-doped solid solutions. The highest ZT∼1.4 is achieved for the y=0.03 composition at 800 K. - Graphical abstract: (a)The relationship between electrical conductivity and power factor for Sb/Bi-doped Mg{sub 2.16}(Si{sub 0.4}Sn{sub 0.6}){sub 1−y}(Sb/Bi){sub y} (0<y≤0.03) solid solutions. (b)The correlation between temperature and the combination of the lattice and the bipolar terms of thermal conductivity of Mg{sub 2.16}(Si{sub 0.4}Sn{sub 0.6}){sub 1−y}Bi{sub y} (0≤y≤0.03) solid solutions. (c)Temperature dependent dimensionless figure of merit ZT of Mg{sub 2.16}(Si{sub 0.4}Sn{sub 0.6}){sub 1−y}Bi{sub y} (0≤y≤0.03) solid solutions. - Highlights: • Bi doped Mg{sub 2.16}Si{sub 0.4}Sn{sub 0.6} showed 15% enhancement in the power factor as compared to Sb doped samples. • Bi doping reduced κ{sub ph} of Mg{sub 2.16}Si{sub 0.4}Sn{sub 0.6} due to stronger point defect scattering. • The highest ZT=1.4 at 800 K was achieved for Mg{sub 2.16}(Si{sub 0.4}Sn{sub 0.6}){sub 0.97}Bi{sub 0.03}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Realization of single-termination SrTiO{sub 3} (100) surfaces by a microwave-induced hydrothermal process

A microwave-induced hydrothermal etching of SrTiO{sub 3} (100) single crystal surfaces in deionized water and subsequent annealing in oxygen atmosphere results in single-terminated and atomically flat terraces for pure and niobium-doped substrates as confirmed through one unit-cell step height and uniform phase by atomic force microscopy. This process that requires 3 min of moderate microwave radiation completely avoids the use of hydrofluoric acid (HF) and related point defects due to fluorine in the crystal surface. The advantages of a safe, inexpensive, and environmentally neutral process hold promise to replace the existing standard protocol for substrate preparation based on buffered HF.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Calculation of self-diffusion coefficients in iron

On the basis of available P-V-T equation of state of iron, the temperature and pressure dependence of self-diffusion coefficients in iron polymorphs (α, δ, γ and ε phases) have been successfully reproduced in terms of the bulk elastic and expansivity data by means of a thermodynamical model that interconnects point defects parameters with bulk properties. The calculated diffusion parameters, such as self-diffusion coefficient, activation energy and activation volume over a broad temperature range (500-2500 K) and pressure range (0-100 GPa), compare favorably well with experimental or theoretical ones when the uncertainties are considered.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Dynamics of Changes in the Photoluminescence of Porous Silicon after Gamma Irradiation

Radiation stability of the nanoporous silicon under gamma irradiation was investigated. Changes in the properties of porous silicon under gamma irradiation were registered by measurements of photoluminescence spectra and Fourier-transform infrared (FTIR) spectroscopy. Besides the appearance of point defects and their subsequent oxidation, the significant differences were shown to be in the behavior of the porous silicon properties in comparison with that of bulk silicon apparently due to the quantum size nature of nanoporous silicon.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Density functional theory calculations of defect and fission gas properties in U-Si fuels

Accident tolerant fuels (ATF) are being developed in response to the Fukushima Daiichi accident in Japan. One of the options being pursued is U-Si fuels, such as the U 3 Si 2 and U 3 Si 5 compounds, which benefit from high thermal conductivity (metallic) compared to the UO 2 fuel (insulator or semi-conductor) used in current Light Water Reactors (LWRs). The U-Si fuels also have higher fissile density. In order to perform meaningful engineering scale nuclear fuel performance simulations, the material properties of the fuel, including the response to irradiation environments, must be known. Unfortunately, the data available for U-Si fuels are rather limited, in particular for the temperature range where LWRs would operate. The ATF HIP is using multi-scale modeling and simulations to address this knowledge gap. The present study investigates point defect and fission gas properties in U 3 Si 2 , which is one of the main fuel candidates, using density functional theory (DFT) calculations. Based on a few assumption regarding entropy contributions, defect and fission diffusivities are predicted. Even though uranium silicides have been shown to amorphize easily at low temperature, we assume that U 3 Si 2 remains crystalline under the conditions expected in Light Water Reactors (LWRs). The temperature and dose where amorphization occurs has not yet been well established.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Electrical and Photoluminescence Studies of {LT-GaAs/GaAs:Si} Superlattices Grown by MBE on (100)- and (111)A-Oriented GaAs Substrates

The results of studying semiconductor structures proposed for the first time and grown, which combine the properties of LT-GaAs with p-type conductivity upon doping with Si, are presented. The structures are {LT-GaAs/GaAs:Si} superlattices, in which the LT-GaAs layers are grown at a low temperature (in the range 280–350°C) and the GaAs:Si layers at a higher temperature (470°C). The p-type conductivity upon doping with Si is provided by the use of GaAs(111)A substrates and the choice of the growth temperature and the ratio between As{sub 4} and Ga fluxes. The hole concentration steadily decreases, as the growth temperature of LT-GaAs layers is lowered from 350 to 280°C, which is attributed to an increase in the roughness of interfaces between layers and to the formation of regions depleted of charge carriers at the interfaces between the GaAs:Si and LT-GaAS layers. The evolution of the photoluminescence spectra at 77 K under variations in the growth temperature of LT-GaAs is interpreted as a result of changes in the concentration of Ga{sub As} and V{sub Ga} point defects and Si{sub Ga}–V{sub Ga}, V{sub As}–Si{sub As}, and Si{sub As}–Si{sub Ga} complexes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Polarization-induced confinement of continuous hole-states in highly pumped, industrial-grade, green InGaN quantum wells

We investigate industrial-grade InGaN/GaN quantum wells (QWs) emitting in the green spectral region under high, resonant pumping conditions. Consequently, an ubiquitous high energy luminescence is observed that we assign to a polarization field Confined Hole Continuum (CHC). Our finding is supported by a unique combination of experimental techniques, including transmission electron microscopy, (time-resolved) photoluminescence under various excitation conditions, and electroluminescence, which confirm an extended out-of-plane localization of the CHC-states. The larger width of this localization volume surpasses the QW thickness, yielding enhanced non-radiative losses due to point defects and interfaces, whereas the energetic proximity to the bulk valence band states promotes carrier leakage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗