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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Direct evidence of single quantum dot emission from GaN islands formed at threading dislocations using nanoscale cathodoluminescence: A source of single photons in the ultraviolet

Intense emission from GaN islands embedded in AlN resulting from GaN/AlN quantum well growth is directly resolved by performing cathodoluminescence spectroscopy in a scanning transmission electron microscope. Line widths down to 440 μeV are measured in a wavelength region between 220 and 310 nm confirming quantum dot like electronic properties in the islands. These quantum dot states can be structurally correlated to islands of slightly enlarged thicknesses of the GaN/AlN quantum well layer preferentially formed in vicinity to dislocations. The quantum dot states exhibit single photon emission in Hanbury Brown-Twiss experiments with a clear antibunching in the second order correlation function at zero time delay.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire. II. Electron energy loss spectroscopic study

In Part I, we have shown that the addition of Si into sapphire by ion implantationmakes the sapphire substrate elastically softer than for the undoped sapphire. The more compliant layer of the Si-implanted sapphire substrate can absorb the misfit stress at the GaN/sapphire interface, which produces a lower threading-dislocation density in the GaN overlayer. Here in Part II, based on experimental results by electron energy loss spectroscopy and a first-principle molecular orbital calculation in the literature, we suggest that the softening effect of Si results from a reduction of ionic bonding strength in sapphire (α-Al{sub 2}O{sub 3}) with the substitution of Si for Al.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Filamentation of an annular laser beam with a vortex phase dislocation in fused silica

The filamentation of a femtosecond laser pulse in fused silica has been numerically investigated for the case of an annular beam with a phase singularity at a wavelength of 800 nm. The spatiotemporal propagation dynamics of the pulse and the transformation of its frequency-angular spectra are analysed. It is shown that a tubular structure with a radius of 3−4 μm, peak intensity of about 2.4×10{sup 13} W cm{sup −2}, and maximum plasma density on the order of 10{sup 20} cm{sup −3} is formed in the nonlinear focus; the length of this structure significantly exceeds the waist length in the linear case. The results of the analysis are compared with the data obtained for an annular beam free of phase dislocations and for a Gaussian beam. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Evolution of dislocation substructures in metals via high-strain-rate nanoindentation

Deformation at high strain rates often results in high stresses on many engineering materials, potentially leading to catastrophic failure without proper design. High-strain-rate mechanical testing is thus needed to improve the design of future structural materials for a wide range of applications. Although several high-strain-rate mechanical testing techniques have been developed to provide a fundamental understanding of material responses and microstructural evolution under high-strain-rate deformation conditions, these tests are often very time consuming and costly. In this work, we utilize a high-strain-rate nanoindentation testing technique and system in combination with transmission electron microscopy to reveal the deformation mechanisms and dislocation substructures that evolve in pure metals from low (10 –2 s –1 ) to very high indentation strain rates (10 4 s –1 ), using face-centered cubic aluminum and body-centered cubic molybdenum as model materials. The results help to establish the conditions under which micro- and macro-scale tests can be compared with validity and also provide a promising pathway that could lead to accelerated high-strain-rate testing at substantially reduced costs.

36 MATERIALS SCIENCE↗
DOE OSTI2019

GPU-accelerated dislocation dynamics using subcycling time-integration

Discrete dislocation dynamics (DDD) simulations are being increasingly employed to investigate metal plasticity at the mesoscale. However, in spite of its ability to access beyond the length and time limits of atomistic methods, the DDD model is still limited by its high computational cost, with ranges of achievable strains too low and strain rates too high by several orders of magnitude compared with typical experimental conditions. By combining the efficiency of the recently developed subcycling time-integrator with the highly parallel architecture of graphics processing unit (GPU) devices, we developed a DDD model that provides significant acceleration compared to existing implementations. Our GPU-accelerated implementation enables large-scale DDD simulations that can reach relevant levels of strain using a moderate amount of computational resources.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Twinning and Dislocation Pileups in Heavily Implanted LiNbO3

The nature of a striking pattern of extended defects formed by very high dose implantation of helium in a complex oxide, for example, ferroelectricz-cut LiNbO{sub 3}, is studied. After irradiation, a high concentration of defects is found to collect and create a network of thick prismatic planar defects, which have typical dimensions of {approx}1.5 {micro}m and 200 nm parallel and perpendicular to the z axis, respectively. This defect network and its effect on the lattice were studied using a set of x-ray and electron microscopy probes of the lattice structure and spatial variation. Optical microscopy shows that there is strong temperature dependence for forming the network; the density of these extended defects reaches a maximum value for an annealing temperature of 250 C but is fully eliminated by a temperature of 380 C. High-resolution transmission electron microscopy studies indicate that these extended defects are probably localized twinning and dislocation pileups due to plastic deformation of the lattice to relieve He-implantation-induced stress. During this deformation, He accumulates at the twin boundaries. The study also shows that the He interstitials evolve into bubbles causing high stress and resulting in a formation of thick prismatic planar defects. Finally, a mechanism is proposed for defect creation and elimination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Quantitative analysis of dislocations in 4H-SiC wafers using synchrotron X-ray topography with ultra-high angular resolution

Utilization of an Si(331) beam conditioner together with an Si(111) double-crystal monochromator (DCM) enables the angular resolution of synchrotron X-ray topography to be increased by an order of magnitude compared with grazing-incidence topography or back-reflection topography conducted with the DCM alone. This improved technique with extremely small beam divergence is referred to as synchrotron X-ray plane-wave topography (SXPWT). This study demonstrates that the rocking curve width of 4H-SiC 0008 in PWT is only 2.5" and thus the lattice distortion at the scale of 1" will significantly affect the diffracted intensity. This work reports the ultra-high angular resolution in SXPWT which enables detailed probing of the lattice distortion outside the dislocation core in 4H-SiC, where the sign of the Burgers vector can be readily determined through comparison with ray-tracing simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Accumulated distribution of material gain at dislocation crystal growth

A model for slowing down the tangential growth rate of an elementary step at dislocation crystal growth is proposed based on the exponential law of impurity particle distribution over adsorption energy. It is established that the statistical distribution of material gain on structurally equivalent faces obeys the Erlang law. The Erlang distribution is proposed to be used to calculate the occurrence rates of morphological combinatorial types of polyhedra, presenting real simple crystallographic forms.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

The possibility of identifying the spatial location of single dislocations by topo-tomography on laboratory setups

The spatial arrangement of single linear defects in a Si single crystal (input surface (111)) has been investigated by X-ray topo-tomography using laboratory X-ray sources. The experimental technique and the procedure of reconstructing a 3D image of dislocation half-loops near the Si crystal surface are described. The sizes of observed linear defects with a spatial resolution of about 10 μm are estimated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Description of Disclinations and Dislocations by the Chern–Simons Action for SO(3) Connection

We obtained the exact solution of the Euler–Lagrange equations following from the Chern–Simons action for SO(3) connection with δ-type source. This solution is proved to describe straight linear disclination in the framework of geometric theory of defects. Torsion tensor components are calculated assuming the metric to be Euclidean. It shows that disclination can be followed by continuous distribution of dislocations with cylindrical symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effect of plastic deformation on the magnetic properties and dislocation luminescence of isotopically enriched silicon {sup 29}Si:B

A correlation between the temperature dependences of the D1-line intensity of dislocation luminescence and the magnetic moment of plastically deformed isotopically enriched crystals {sup 29}Si:B is found. It is established that the magnetic susceptibility of the deformed crystals obtained by integration of the spectra of electron spin resonance and the D1-line intensity undergo similar nonmonotonic variations with temperature varying in the range of 20–32 K.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dislocation-Related Photoluminescence in Silicon Implanted with Germanium Ions

The influence exerted by the conditions of the post-implantation annealing of silicon implanted with germanium ions on how luminescence centers are formed is studied. Measurements by the technique of the Rutherford backscattering of medium- and high-energy ions demonstrates that implantation with 1-MeV germanium ions at a dose of 1.5 × 10{sup 14} cm{sup –2} does not lead to the amorphization of single-crystal silicon. It is found that subsequent high-temperature annealing of the implanted samples in a chlorine-containing atmosphere at a temperature of 1100°C for 0.5–1.5 h gives rise to so-called D1 and D2 dislocation-related luminescence lines with wavelengths of 1.54 and 1.42 μm. With increasing annealing duration, the intensity of the D1 line decreases and that of D2 remains constant, but the D1 line dominates in all the spectra. The possible factors responsible for a decrease in the intensity of the D1 line and, in particular, the diffusion of germanium atoms and the formation of a silicon–germanium solid solution are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Nonequilibrium Diffusional Phase Transformations in Alloys Induced by Migration of Grain Boundaries and Dislocations

The main scenarios of nonequilibrium diffusional transformations induced by moving defects (dislocations, grain boundaries) in alloys under severe plastic deformation are considered. It has been shown that the phase state locally changes in the area of a defect where thermodynamic properties of alloy are locally changed, and the attained state is frozen after the displacement of a defect due to the difference between the rates of bulk diffusion and diffusion on a defect. For this reason, an alloy shifts from the state of its thermodynamic equilibrium under treatment, thus different nonequilibrium states, such as the disordering of alloy, the dissolution of equilibrium phase precipitates, the appearance of nonequilibrium phases, and the formation of regular structures, are possible depending on the type of the system. These effects may take place if the treatment of an alloy is performed at moderate temperatures, when diffusion is frozen in the bulk and rather active on defects. The phenomena of phase and structural instability developing under severe plastic deformation at moderate temperatures are considered within the framework of the proposed model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Inelasticity and Nanostructured Dislocation Deformation of Aluminum–Silicon Alloy with a Supermodified Eutectic Structure

Young’s modulus and the logarithmic decrement of oscillations at a frequency of ~100 kHz as well as the subgrain size and residual stresses in the strontium modified alloy of aluminum with 15 wt % silicon have been studied. The alloy was obtained with a solidification rate of 1 mm/s at the shifted eutectic point. The dependence of inelastic dislocation deformation on the applied oscillating stress has been obtained and analyzed. The effect of strontium modification on the microstrain diagram can be accounted for by transformation of the lamellar fiber structure of eutectic silicon into a superfine fiber structure.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

The effect of iron on dislocation evolution in model and commercial zirconium alloys - 2016-0068

Although the evolution of irradiation-induced dislocation loops has been well correlated with irradiation-induced growth phenomena, the effect of alloying elements on this evolution remains elusive, especially at low fluences. To develop a more mechanistic understanding of the role iron has on loop formation, we used state-of-the-art techniques to study a proton-irradiated Zr-0.1Fe alloy and proton- and neutron-irradiated Zircaloy-2. The two alloys were irradiated with 2-MeV protons up to 7 dpa at 350 deg. C and Zircaloy-2 up to 14.7 X 10{sup 25} n. m{sup -2}, approximately 24 dpa, in a boiling water reactor at approximately 300 deg. C. Baseline transmission electron microscopy showed that the Zr{sub 3}Fe secondary-phase particles in the binary system were larger and fewer in number than the Zr(Fe,Cr){sub 2} and Zr{sub 2}(Fe,Ni) particles in Zircaloy-2. An analysis of the irradiated binary alloy revealed only limited dissolution of Ze{sub 3}Fe, suggesting little dispersion of iron into the matrix, while at the same time a higher -loop density was observed compared with Zircaloy-2 at equivalent proton dose levels. We also found that the redistribution of iron during irradiation led to the formation of iron nano-clusters. A delay in the onset of -loop nucleation in proton-irradiated Zircaloy-2 compared with the binary alloy was observed. The effect of iron redistributed from secondary-phase particles because of dissolution on the density and morphology of and loops is described. The implication this may have on irradiation-induced growth of zirconium fuel cladding is also discussed. (authors)

36 MATERIALS SCIENCE↗
DOE OSTI2021

Fundamental Mechanisms Controlling Dislocation-Obstacle Interactions in Metals and Alloys

This project combined modeling and experimentation across micro-meso-macro length scales to investigate the role of long-range internal stresses associated with obstacles and dislocation populations, in the deformation response of cubic metals. In addition to unique insights into the physical behavior of metals, advances were also made in modeling techniques and tools at the meso and atomistic level, and new characterization methods were developed and disseminated to the scientific community. Twenty eight journal papers, two dissertations and three theses have served as vehicles to share the gained scientific knowledge, and two opensource software packages have been developed, maintained and distributed. Additional publications are in progress.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Density Functional Theory Solute-Dislocation Interactions

DFT-optimized structures of dislocations with a solute at different sites. The dataset include the VASP input files (except POTCAR) and output files OSZICAR and OUTCAR. There are also text files containing the DFT-computed interaction energies. The README file contains expressions that can be used to compute the interaction energies and chemical misfit energies using the volumetric size misfit for any solute species in Mg.

36 MATERIALS SCIENCE↗