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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Near band edge emission characteristics of sputtered nano-crystalline ZnO films

Sputtered zinc oxide (ZnO) thin films deposited on unheated glass substrate under different sputtering gas mixtures (Ar+O{sub 2}) have been investigated using X-ray diffraction and photo luminescence spectroscopy. Earlier reported studies on ZnO films prepared by different techniques exhibit either a sharp/broad near band edge (NBE) emission peak depending on the crystalline quality of the film. In the present study zinc oxide films, grown on unheated substrates, are seen to possess a preferred (002) orientation with a microstructure consisting of clustered nano-sized crystallites. The splitting in the near band edge emission (NBE) into three characteristic peaks is attributed to quantum confinement effect, and is observed specifically under an excitation of 270 nm. Deep level emission (DLE) in the range 400 to 700 nm is not observed indicating absence of deep level radiative defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Low-Temperature Annealing of Lightly Doped n-4H-SiC Layers after Irradiation with Fast Electrons

The effect of low-temperature (up to 600°C) isothermal and isochronous annealing on the electrical characteristics of irradiated n-4H-SiC JBS Schottky diodes is studied. Irradiation is performed with 0.9-MeV electrons at a dose of 1 × 10{sup 16} cm{sup –2}. It is shown that the forward current–voltage (I–V) and capacitance–voltage (C–V) characteristics of the irradiated diodes are mainly restored at annealing temperatures of up to 300°C. As the annealing temperature is raised to 500°C, nearly 90% of the defects introduced by irradiation with fast electrons are annealed out. The possible recommended mode of stabilizing annealing to be used in radiation-defect engineering (RDE) is 500°C, 30 min.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Resistance to Helium Bubble Formation in Amorphous SiOC/Crystalline Fe Nanocomposite

The management of radiation defects and insoluble He atoms represent key challenges for structural materials in existing fission reactors and advanced reactor systems. To examine how crystalline/amorphous interface, together with the amorphous constituents affects radiation tolerance and He management, we studied helium bubble formation in helium ion implanted amorphous silicon oxycarbide (SiOC) and crystalline Fe composites by transmission electron microscopy (TEM). The SiOC/Fe composites were grown via magnetron sputtering with controlled length scale on a surface oxidized Si (100) substrate. These composites were subjected to 50 keV He+ implantation with ion doses chosen to produce a 5 at% peak He concentration. TEM characterization shows no sign of helium bubbles in SiOC layers nor an indication of secondary phase formation after irradiation. Compared to pure Fe films, helium bubble density in Fe layers of SiOC/Fe composite is less and it decreases as the amorphous/crystalline SiOC/Fe interface density increases. Our findings suggest that the crystalline/amorphous interface can help to mitigate helium defect generated during implantation, and therefore enhance the resistance to helium bubble formation.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Selective nucleation induced by defect nanostructures: A way to control cobalt disilicide precipitation during ion implantation

In this paper, we show a way to control cobalt disilicide precipitation during Co ion implantation at high temperatures (650 Degree-Sign C) by affecting radiation defects involved in precipitate nucleation and growth. We demonstrate that the relative shares of different precipitate types nucleated by implantation are strongly affected by defect microstructures deliberately created in investigated samples prior to cobalt implantation. Especially interesting is the effect of a dense ensemble of extremely small (1-3 nm) cavities, which promotes the formation of a relatively uniform layer of coherent cobalt disilicide precipitates with a narrow size distribution. In order to better understand the mechanism of the microstructural influence on the precipitate nucleation modes during Co implantation, we investigate the disilicide precipitation using different implantation setups and compare the results with those for cavity-free Si specimens implanted in similar conditions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Interstitial carbon formation in irradiated copper-doped silicon

The influence of a copper impurity on the spectrum of defects induced in p-Si crystals containing a low oxygen concentration by irradiation with electrons with an energy of 5 MeV at room temperature is studied by deep-level transient spectroscopy. It is found that interstitial carbon atoms (C{sub i}) which are the dominant defects in irradiated samples free of copper are unobservable immediately after irradiation, if the concentration of mobile interstitial copper atoms (Cu{sub i}) is higher than the concentration of radiation defects. This phenomenon is attributed to the formation of (Cu{sub i}, C{sub i}) complexes, which do not introduce levels into the lower half of the band gap. It is shown that these complexes dissociate upon annealing at temperatures of 300–340 K and, thus, bring about the appearance of interstitial carbon.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Atomistic Simulation of the Fission-Fragment-Induced Formation of Defects in a Uranium–Molybdenum Alloy

The formation of defects in a uranium–molybdenum alloy induced by xenon and zirconium ion irradiation with energies typical of fission fragments has been simulated within the two-temperature atomistic model and Monte Carlo method. This has allowed estimating the total number of primary radiation defects formed at the “thermal spike” stage and in collision cascades for different temperatures. The calculated threshold stopping powers of ions responsible for the formation of defects at the thermal spike stage are in good agreement with the available theoretical and experimental data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Transport of charge carriers through the thin base of a heterobipolar transistor under the impact of radiation

The transport of electrons in heterobipolar transistors with radiation defects is studied under conditions where the characteristic sizes of defect clusters and the distances between them can be comparable or can even exceed the sizes of the device base. It is shown that, under some levels of irradiation, neutron radiation can bring about a decrease in the time of flight of hot electrons through the base, which retards the degradation of the transistor parameters.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Infrared absorption study of neutron-transmutation-doped germanium

Using high-resolution far-infrared Fourier transform absorption spectroscopy and Hall effect measurements, the evolution of the shallow acceptor and donor impurity levels in germanium during and after the neutron transmutation doping process was studied. The results show unambiguously that the gallium acceptor level concentration equals the concentration of transmutated Ge-70 atoms during the whole process indicating that neither recoil during transmutation nor gallium-defect complex formation play significant roles. The arsenic donor levels appear at full concentration only after annealing for 1 h at 450 C. It is shown that this is due to donor-radiation-defect complex formation. Again, recoil does not play a significant role.

Park, I. S.↗
DOE OSTI2022

Effect of Cr and Al on Elastic Constants of FeCrAl Alloys Investigated by Molecular Dynamics Method

The FeCrAl alloy system is recognized as one of the candidate materials for accident-tolerant fuel (ATF) cladding in the nuclear power industry due to its high oxidation resistance under irradiation and high-temperature environments. The concentrations of Cr and Al have a significant effect on elastic properties of the FeCrAl alloy. In this work, elastic constants C 11 , C 12 , C 44 , bulk modulus and shear modulus of FeCrAl alloy were calculated with molecular dynamics methods. We explored compositions with 1–15 wt.% Cr and 1–5 wt.% Al at temperatures from 0 K to 750 K. The results show that the concentrations of Al and Cr have different effects on the elastic constants. When the concentration of Al was fixed, a decrease in bulk modulus and shear modulus with increasing Cr content was observed, consistent with previous experimental results. The dependence of elastic constants on temperature was also the same as in the experiments. Investigations into elastic properties of defect-containing alloys have shown that vacancies, voids, interstitials and Cr-rich precipitations have different effects on elastic properties of FeCrAl alloys. Investigations of elastic properties of defect-containing alloys have shown that vacancies, void, interstitials and Cr-rich precipitations have different effects on elastic properties of FeCrAl alloys. Therefore, the present results indicate that both the Cr and Al concentrations and radiation defects should be considered to develop and apply the FeCrAl alloy in ATF design.

36 MATERIALS SCIENCE↗
DOE OSTI2010

Analysis of formation of primary radiation-induced point defects in graphite under action of secondary neutrons and {pi}{sup -}-mesons generated in various channels of nuclear reactions upon graphite irradiation by 450-GeV protons

A theoretical model is constructed and the rates of formation are calculated for primary radiation-induced point defects in graphite by secondary neutrons and {pi}{sup -}-mesons generated in various nuclear reaction channels upon irradiation of graphite by a 450-GeV proton beam. Calculations are performed using the ENDF-VII nuclear data base for energies of secondary particles lower than 150 MeV. It is shown that neutrons produce the highest generation rate of point radiation-induced defects in graphite (the rate of formation of defects under the action of neutrons is an order of magnitude higher than the corresponding value for {pi}{sup -}-mesons).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Residual stresses in silicon and their evolution upon heat treatment and irradiation

The distributions of internal stresses in undoped and tin-doped silicon and the influence of electron irradiation with an energy of 5 MeV and of heat treatment at 450°C on the stresses are studied. The stresses are measured by a method based on the detection of birefringence by modulation polarimetry. It is shown that tin-doped silicon includes stripes of point defects with a nonuniform distribution of residual stresses of up to 20 kg cm{sup –2}. Heat treatment at 450°C induces an increase in the residual stresses in the sample to 50 kg cm{sup –2}. It is established that the radiation defects formed upon the irradiation of tin-doped silicon reduce the residual stresses to 2–3 kg cm{sup –2}.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Hydrogen-Assisted Defect Engineering of Doped Poly-Si Films for Passivating Contact Solar Cells

Hydrogen-assisted defect engineering, via a hydrogenated silicon nitride (SiN x :H) capping layer, on doped polycrystalline silicon (poly-Si) passivating-contact structures, is explored using complementary techniques. The hydrogen treatment universally improves the passivation quality of poly-Si/SiO x stacks on all samples investigated. Meanwhile, their contact resistivity remains very low at ~6 m$\Omega$cm 2 . Moreover, the nature of charge carrier recombination within the poly-Si films is also investigated by means of photoluminescence. On planar c-Si substrates, the poly-Si films emit two broad photoluminescence peaks ~850-1050 nm and ~1300-1500 nm. The former is the characteristic peak of the hydrogenated amorphous Si (a-Si:H) phase and only appears after the treatment, demonstrating that i) a significant amount of hydrogen has been driven into the poly-Si film and ii) an amorphous phase is present within it. The second peak originates from sub-bandgap radiative defects inside the poly-Si films and increases after the treatment, suggesting a suppression of their non-radiative recombination channels. For films deposited on textured c-Si substrates, there is a disrupted oxide boundary, preventing a build-up of excess carriers inside the films and leading to quenching of the film luminescence.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Phase-field Model for Interstitial Loop Growth Kinetics and Thermodynamic and Kinetic Models of Irradiated Fe-Cr Alloys

Microstructure evolution kinetics in irradiated materials has strongly spatial correlation. For example, void and second phases prefer to nucleate and grow at pre-existing defects such as dislocations, grain boundaries, and cracks. Inhomogeneous microstructure evolution results in inhomogeneity of microstructure and thermo-mechanical properties. Therefore, the simulation capability for predicting three dimensional (3-D) microstructure evolution kinetics and its subsequent impact on material properties and performance is crucial for scientific design of advanced nuclear materials and optimal operation conditions in order to reduce uncertainty in operational and safety margins. Very recently the meso-scale phase-field (PF) method has been used to predict gas bubble evolution, void swelling, void lattice formation and void migration in irradiated materials,. Although most results of phase-field simulations are qualitative due to the lake of accurate thermodynamic and kinetic properties of defects, possible missing of important kinetic properties and processes, and the capability of current codes and computers for large time and length scale modeling, the simulations demonstrate that PF method is a promising simulation tool for predicting 3-D heterogeneous microstructure and property evolution, and providing microstructure evolution kinetics for higher scale level simulations of microstructure and property evolution such as mean field methods. This report consists of two parts. In part I, we will present a new phase-field model for predicting interstitial loop growth kinetics in irradiated materials. The effect of defect (vacancy/interstitial) generation, diffusion and recombination, sink strength, long-range elastic interaction, inhomogeneous and anisotropic mobility on microstructure evolution kinetics is taken into account in the model. The model is used to study the effect of elastic interaction on interstitial loop growth kinetics, the interstitial flux, and sink strength of interstitial loop for interstitials. In part II, we present a generic phase field model and discuss the thermodynamic and kinetic properties in phase-field models including the reaction kinetics of radiation defects and local free energy of irradiated materials. In particular, a two-sublattice thermodynamic model is suggested to describe the local free energy of alloys with irradiated defects. Fe-Cr alloy is taken as an example to explain the required thermodynamic and kinetic properties for quantitative phase-field modeling. Finally the great challenges in phase-field modeling will be discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Aluminoborosilicate glasses codoped with rare-earth elements as radiation-protective covers for solar cells

The radiation hardness of aluminoborosilicate glasses codoped with rare-earth ions of Sm, Gd or Sm, Eu in various ratios is studied. The effect of codoping and β irradiation at a dose of 10{sup 9} Gr on the optical transmission and electron paramagnetic resonance spectra is examined. It is found that the introduction of Sm and Gd codopants in a 1 : 1 ratio reduces the number of radiation defects and raises the transmission of irradiated glasses in the visible spectral range.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling and Simulation of Microstructure Evolution and Deformation in an Irradiated Environment

The ability to predict the behavior of structural components in a nuclear power plant is critical to the nuclear industry. Structural metals in the primary loop of nuclear power plants must endure challenges such as irradiation and mechanical and thermal loading, and these structural metal components must continue to function in potential transient and accident conditions throughout the operational lifetime of the power plant. This extreme operational environment changes the metal microstructure by creating additional defects. The physical interactions of dislocations with these defects govern how the metal will respond to future conditions. Therefore predicting the mechanical response of these metals requires a set of physically based and reliable models of dislocation and defect interactions. These microstructure elements include glide mobile and immobile dislocations, geometrically necessary dislocations, twinning dislocations, irradiation defects, and thermal aging defects. We present here a continuum dislocation dynamics crystal plasticity framework to capture the interaction mechanisms of these dislocations and defects, verified with a combination of benchmark problems and comparisons with experimental data for two different types of structural metals: alpha iron and nickel-based alloys. In our simulations of $\alpha$ iron we highlight the advantages of applying a Monte Carlo stochastic model of cross slip dislocation motion and show the importance of capturing the 3D nature of glide dislocation and self-interstitial atom loop radiation defect interactions. We demonstrate coupling of glide dislocations with geometrically necessary dislocations to capture the influence of lattice bending, including the sensitivity of the geometrically necessary dislocations to changes in the grain boundary angle. We further examine the interaction of glide dislocations with the twin dislocations and thermally aged defects which have been observed in a nickel-based alloy with additional models. Finally we assess the reliability of this crystal plasticity framework by comparing two dislocation glide velocity models across the range of normal operation temperatures. In successfully applying our crystal plasticity framework to multiple metals, we provide further evidence of the reliability of our approach. The results of this mechanism-based continuum dislocation dynamics crystal plasticity framework can be used to inform engineering scale models throughout the nuclear industry.

36 MATERIALS SCIENCE↗
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 OSTI2015

On the increased efficiency in InGaN-based multiple quantum wells emitting at 530–590 nm with AlGaN interlayers

InGaN/AlGaN/GaN-based multiple quantum wells (MQWs) with AlGaN interlayers (ILs) are investigated, specifically to examine the fundamental mechanisms behind their increased radiative efficiency at wavelengths of 530–590 nm. The Al z Ga 1-z N (z~0.38) IL is ~1–2 nm thick, and is grown after and at the same growth temperature as the ~3 nm thick InGaN quantum well (QW). This is followed by an increase in temperature for the growth of a ~10 nm thick GaN barrier layer. The insertion of the AlGaN IL within the MQW provides various benefits. First, the AlGaN IL allows for growth of the In x Ga 1-x N QW well below typical growth temperatures to achieve higher x (up to~0.25). Second, annealing the IL capped QW prior to the GaN barrier growth improves the AlGaN IL smoothness as determined by atomic force microscopy, improves the InGaN/AlGaN/GaN interface quality as determined from scanning transmission electron microscope images and x-ray diffraction, and increases the radiative efficiency by reducing non-radiative defects as determined by time-resolved photoluminescence measurements. Finally, the AlGaN IL increases the spontaneous and piezoelectric polarization induced electric fields acting on the InGaN QW, providing an additional red-shift to the emission wavelength as determined by Schrodinger-Poisson modeling and fitting to the experimental data. The relative impact of increased indium concentration and polarization fields on the radiative efficiency of MQWs with AlGaN ILs is also explored, along with implications to conventional longer wavelength emitters.

14 SOLAR ENERGY↗