Critical thickness and strain relaxation in high-misfit heteroepitaxial systems: PbTe1-xSex on PbSe (001)

NASA Astrophysics Data System (ADS)

Wiesauer, Karin; Springholz, G.

2004-06-01

Strain relaxation and misfit dislocation formation is investigated for the high-misfit PbTe1-xSex/PbSe (001) heteroepitaxial system in which the lattice mismatch varies from 0% to 5.5%. Because a two-dimensional (2D) layer growth prevails for all PbTe1-xSex ternary compositions, the lattice mismatch is relaxed purely by misfit dislocations. In addition, it is found that strain relaxation is not hindered by dislocation kinetics. Therefore, this material combination is an ideal model system for testing the equilibrium Frank van der Merwe and Matthews Blakeslee strain relaxation models. In our experiments, we find significantly lower values of the critical layer thickness as compared to the model predictions. This discrepancy is caused by the inappropriate description of the dislocation self-energies when the layer thickness becomes comparable to the dislocation core radius. To resolve this problem, a modified expression for the dislocation self-energy is proposed. The resulting theoretical critical thicknesses are in excellent agreement with the experimental data. In addition, a remarkable universal scaling behavior is found for the strain relaxation data. This underlines the breakdown of the current strain relaxation models.

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

Van Der Merwe, Jan H.; Woltersdorf, J.; Jesser, W. A.

1986-01-01

The principle of minimum energy was applied to epitaxial interfaces to show the interrelationship beteen misfit, overgrowth thickness and misfit dislocation spacing. The low energy dislocation configurations were presented for selected interfacial geometries. A review of the interfacial energy calculations was made and a critical assessment of the agreement between theory and experiment was presented. Modes of misfit accommodation were presented with emphasis on the distinction between kinetic effects and equilibrium conditions. Two-dimensional and three-dimensional overgrowths were treated together with interdiffusion-modified interfaces, and several models of interfacial structure were treated including the classical and the current models. The paper is concluded by indicating areas of needed investigation into interfacial structure.

Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep

The interaction of radiation with materials controls the performance, reliability, and safety of many structures in nuclear power systems. Revolutionary improvements in radiation damage resistance may be attainable if methods can be found to manipulate interface properties to give optimal interface stability and point defect recombination capability. To understand how variations in interface properties such as misfit dislocation density and local chemistry affect radiation-induced defect absorption and recombination, a model system of metallic Cr xV 1-x (0 ≤ x ≤ 1) epitaxial films deposited on MgO(001) single crystal substrates has been explored in this paper. By controlling film composition, themore » lattice mismatch between the film and MgO is adjusted to vary the misfit dislocation density at the metal/oxide interface. The stability of these interfaces under various irradiation conditions is studied experimentally and theoretically. The results indicate that, unlike at metal/metal interfaces, the misfit dislocation density does not dominate radiation damage tolerance at metal/oxide interfaces. Rather, the stoichiometry and the location of the misfit dislocation extra half-plane (in the metal or the oxide) drive radiation-induced defect behavior. Finally, together, these results demonstrate the sensitivity of defect recombination to interfacial chemistry and provide new avenues for engineering radiation-tolerant nanomaterials for next-generation nuclear power plants.« less

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE PAGES

Dholabhai, Pratik P.; Martinez, Enrique Saez; Brown, Nicholas Taylor; ...

2017-08-17

In the quest to develop new materials with enhanced ionic conductivity for battery and fuel cell applications, nano-structured oxides have attracted attention. Experimental reports indicate that oxide heterointerfaces can lead to enhanced ionic conductivity, but these same reports cannot elucidate the origin of this enhancement, often vaguely referring to pipe diffusion at misfit dislocations as a potential explanation. However, this highlights the need to understand the role of misfit dislocation structure at semi-coherent oxide heterointerfaces in modifying carrier mobilities. Here, we use atomistic and kinetic Monte Carlo (KMC) simulations to develop a model of oxygen vacancy migration at SrTiO 3/MgOmore » interfaces, chosen because the misfit dislocation structure can be modified by changing the termination chemistry. We use atomistic simulations to determine the energetics of oxygen vacancies at both SrO and TiO 2 terminated interfaces, which are then used as the basis of the KMC simulations. While this model is approximate (as revealed by select nudged elastic band calculations), it highlights the role of the misfit dislocation structure in modifying the oxygen vacancy dynamics. We find that oxygen vacancy mobility is significantly reduced at either interface, with slight differences at each interface due to the differing misfit dislocation structure. Here, we conclude that if such semi-coherent oxide heterointerfaces induce enhanced ionic conductivity, it is not a consequence of higher carrier mobility.« less

Radiation Tolerant Interfaces: Influence of Local Stoichiometry at the Misfit Dislocation on Radiation Damage Resistance of Metal/Oxide Interfaces

DOE PAGES

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep; ...

2017-04-24

The interaction of radiation with materials controls the performance, reliability, and safety of many structures in nuclear power systems. Revolutionary improvements in radiation damage resistance may be attainable if methods can be found to manipulate interface properties to give optimal interface stability and point defect recombination capability. To understand how variations in interface properties such as misfit dislocation density and local chemistry affect radiation-induced defect absorption and recombination, a model system of metallic Cr xV 1-x (0 ≤ x ≤ 1) epitaxial films deposited on MgO(001) single crystal substrates has been explored in this paper. By controlling film composition, themore » lattice mismatch between the film and MgO is adjusted to vary the misfit dislocation density at the metal/oxide interface. The stability of these interfaces under various irradiation conditions is studied experimentally and theoretically. The results indicate that, unlike at metal/metal interfaces, the misfit dislocation density does not dominate radiation damage tolerance at metal/oxide interfaces. Rather, the stoichiometry and the location of the misfit dislocation extra half-plane (in the metal or the oxide) drive radiation-induced defect behavior. Finally, together, these results demonstrate the sensitivity of defect recombination to interfacial chemistry and provide new avenues for engineering radiation-tolerant nanomaterials for next-generation nuclear power plants.« less

Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choudhury, Samrat; Morgan, Dane; Uberuaga, Blas P.

Electronic structure calculations were performed to study the role of misfit dislocations on the structure and chemistry of a metal/oxide interface. We found that a chemical imbalance exists at the misfit dislocation which leads to dramatic changes in the point defect content at the interface – stabilizing the structure requires removing as much as 50% of the metal atoms and insertion of a large number of oxygen interstitials. The exact defect composition that stabilizes the interface is sensitive to the external oxygen partial pressure. We relate the preferred defect structure at the interface to a competition between chemical and strainmore » energies as defects are introduced.« less

Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces

DOE PAGES

Choudhury, Samrat; Morgan, Dane; Uberuaga, Blas P.

2014-10-17

Electronic structure calculations were performed to study the role of misfit dislocations on the structure and chemistry of a metal/oxide interface. We found that a chemical imbalance exists at the misfit dislocation which leads to dramatic changes in the point defect content at the interface – stabilizing the structure requires removing as much as 50% of the metal atoms and insertion of a large number of oxygen interstitials. The exact defect composition that stabilizes the interface is sensitive to the external oxygen partial pressure. We relate the preferred defect structure at the interface to a competition between chemical and strainmore » energies as defects are introduced.« less

Formation of periodic interfacial misfit dislocation array at the InSb/GaAs interface via surface anion exchange

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai

The relationship between growth temperature and the formation of periodic interfacial misfit (IMF) dislocations via the anion exchange process in InSb/GaAs heteroepitaxy was systematically investigated. The microstructural and electrical properties of the epitaxial layer were characterized using atomic force microscope, high-resolution x-ray diffraction, transmission electron microscopy, and Hall resistance measurement. The formation of interfacial misfit (IMF) dislocation arrays depended on growth temperature. A uniformly distributed IMF array was found in a sample grown at 310 °C, which also exhibited the lowest threading dislocation density. The analysis suggested that an incomplete As-for-Sb anion exchange process impeded the formation of IMF on samplemore » grown above 310 °C. At growth temperature below 310 °C, island coalescence led to the formation of 60° dislocations and the disruption of periodic IMF array. All samples showed higher electron mobility at 300 K than at 77 K.« less

GaAsP/InGaP HBTs grown epitaxially on Si substrates: Effect of dislocation density on DC current gain

NASA Astrophysics Data System (ADS)

Heidelberger, Christopher; Fitzgerald, Eugene A.

2018-04-01

Heterojunction bipolar transistors (HBTs) with GaAs0.825P0.175 bases and collectors and In0.40Ga0.60P emitters were integrated monolithically onto Si substrates. The HBT structures were grown epitaxially on Si via metalorganic chemical vapor deposition, using SiGe compositionally graded buffers to accommodate the lattice mismatch while maintaining threading dislocation density at an acceptable level (˜3 × 106 cm-2). GaAs0.825P0.175 is used as an active material instead of GaAs because of its higher bandgap (increased breakdown voltage) and closer lattice constant to Si. Misfit dislocation density in the active device layers, measured by electron-beam-induced current, was reduced by making iterative changes to the epitaxial structure. This optimized process culminated in a GaAs0.825P0.175/In0.40Ga0.60P HBT grown on Si with a DC current gain of 156. By considering the various GaAsP/InGaP HBTs grown on Si substrates alongside several control devices grown on GaAs substrates, a wide range of threading dislocation densities and misfit dislocation densities in the active layers could be correlated with HBT current gain. The effect of threading dislocations on current gain was moderated by the reduction in minority carrier lifetime in the base region, in agreement with existing models for GaAs light-emitting diodes and photovoltaic cells. Current gain was shown to be extremely sensitive to misfit dislocations in the active layers of the HBT—much more sensitive than to threading dislocations. We develop a model for this relationship where increased base current is mediated by Fermi level pinning near misfit dislocations.

The barrier to misfit dislocation glide in continuous, strained, epitaxial layers on patterned substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Watson, G.P.; Ast, D.G.; Anderson, T.J.

1993-09-01

In a previous report [G. P. Watson, D. G. Ast, T. J. Anderson, and Y. Hayakawa, Appl. Phys. Lett. [bold 58], 2517 (1991)] we demonstrated that the motion of misfit dislocations in InGaAs, grown by organometallic vapor phase epitaxy on patterned GaAs substrates, can be impeded even if the strained epitaxial layer is continuous. Trenches etched into GaAs before growth are known to act as a barrier to misfit dislocation propagation [E. A. Fitzgerald, G. P. Watson, R. E. Proano, D. G. Ast, P. D. Kirchner, G. D. Pettit, and J. M. Woodall, J. Appl. Phys. [bold 65], 2220 (1989)]more » when those trenches create discontinuities in the epitaxial layers; but even shallow trenches, with continuous strained layers following the surface features, can act as barriers. By considering the strain energy required to change the length of the dislocation glide segments that stretch from the interface to the free surface, a simple model is developed that explains the major features of the unique blocking action observed at the trench edges. The trench wall angle is found to be an important parameter in determining whether or not a trench will block dislocation glide. The predicted blocking angles are consistent with observations made on continuous 300 and 600 nm thick In[sub 0.04]Ga[sub 0.96]As films on patterned GaAs. Based on the model, a structure is proposed that may be used as a filter to yield misfit dislocations with identical Burgers vectors or dislocations which slip in only one glide plane.« less

Misfit dislocation patterns of Mg-Nb interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Youxing; Shao, Shuai; Liu, Xiang-Yang

The role of heterogeneous interfaces in improving mechanical properties of polycrystalline aggregates and laminated composites has been well recognized with interface structure being of fundamental importance in designing composites containing multiple interfaces. In this paper, taking the Mg (hexagonal close-packed (hcp))/Nb (body-centered cubic (bcc)) interface as an example, we develop Mg-Nb interatomic potentials for predicting atomic configurations of Mg/Nb interfaces. We systematically characterize interface dislocations of Mg/Nb interfaces with Nishiyama-Wassermann (NW) and Kurdjumov-Sachs (KS) orientation relationships and propose a generalized procedure of characterizing interface structure by combining atomistic simulation and interface dislocation theory, which is applicable for not only hcp/bccmore » interfaces, but also other systems with complicated interface dislocation configurations.Here, in Mg/Nb, interface dislocation networks of two types of interfaces are significantly different although they originate from partial dislocations of similar character: the NW interface is composed of three sets of partial dislocations, while the KS interface is composed of four sets of interface dislocations - three sets of partial dislocations and one set of full dislocations that forms from the reaction of two close partial dislocations.« less

Misfit dislocation gettering by substrate pit-patterning in SiGe films on Si(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grydlik, Martyna; Groiss, Heiko; Brehm, Moritz

2012-07-02

We show that suitable pit-patterning of a Si(001) substrate can strongly influence the nucleation and the propagation of dislocations during epitaxial deposition of Si-rich Si{sub 1-x}Ge{sub x} alloys, preferentially gettering misfit segments along pit rows. In particular, for a 250 nm layer deposited by molecular beam epitaxy at x{sub Ge} = 15%, extended film regions appear free of dislocations, by atomic force microscopy, as confirmed by transmission electron microscopy sampling. This result is quite general, as explained by dislocation dynamics simulations, which reveal the key role of the inhomogeneous distribution in stress produced by the pit-patterning.

Misfit stress relaxation in composite core-shell nanowires with parallelepiped cores using rectangular prismatic dislocation loops

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2018-03-01

The misfit stress relaxation via generation of rectangular prismatic dislocation loops at the interface in core-shell nanowires is considered. The core has the shape of a long parallelepiped of a square cross-section. The energy change caused by loop generation in such nanowires is calculated. Critical conditions for the onset of such loops are calculated and analyzed.

Influence of misfit stresses on dislocation glide in single crystal superalloys: A three-dimensional discrete dislocation dynamics study

NASA Astrophysics Data System (ADS)

Gao, Siwen; Fivel, Marc; Ma, Anxin; Hartmaier, Alexander

2015-03-01

In the characteristic γ / γ ‧ microstructure of single crystal superalloys, misfit stresses occur due to a significant lattice mismatch of those two phases. The magnitude of this lattice mismatch depends on the chemical composition of both phases as well as on temperature. Furthermore, the lattice mismatch of γ and γ ‧ phases can be either positive or negative in sign. The internal stresses caused by such lattice mismatch play a decisive role for the micromechanical processes that lead to the observed macroscopic athermal deformation behavior of these high-temperature alloys. Three-dimensional discrete dislocation dynamics (DDD) simulations are applied to investigate dislocation glide in γ matrix channels and shearing of γ ‧ precipitates by superdislocations under externally applied uniaxial stresses, by fully taking into account internal misfit stresses. Misfit stress fields are calculated by the fast Fourier transformation (FFT) method and hybridized with DDD simulations. For external loading along the crystallographic [001] direction of the single crystal, it was found that the different internal stress states for negative and positive lattice mismatch result in non-uniform dislocation movement and different dislocation patterns in horizontal and vertical γ matrix channels. Furthermore, positive lattice mismatch produces a lower deformation rate than negative lattice mismatch under the same tensile loading, but for an increasing magnitude of lattice mismatch, the deformation resistance always diminishes. Hence, the best deformation performance is expected to result from alloys with either small positive, or even better, vanishing lattice mismatch between γ and γ ‧ phase.

Reduction of Crosshatch Roughness and Threading Dislocation Density in Metamorphic GaInP Buffers and GaInAs Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

France, R. M.; Geisz, J. F.; Steiner, M. A.

Surface crosshatch roughness typically develops during the growth of lattice-mismatched compositionally graded buffers and can limit misfit dislocation glide. In this study, the crosshatch roughness during growth of a compressive GaInP/GaAs graded buffer is reduced by increasing the phosphine partial pressure throughout the metamorphic growth. Changes in the average misfit dislocation length are qualitatively determined by characterizing the threading defect density and residual strain. The decrease of crosshatch roughness leads to an increase in the average misfit dislocation glide length, indicating that the surface roughness is limiting dislocation glide. Growth rate is also analyzed as a method to reduce surfacemore » crosshatch roughness and increase glide length, but has a more complicated relationship with glide kinetics. Using knowledge gained from these experiments, high quality inverted GaInAs 1 eV solar cells are grown on a GaInP compositionally graded buffer with reduced roughness and threading dislocation density. The open circuit voltage is only 0.38 V lower than the bandgap potential at a short circuit current density of 15 mA/cm{sup 2}, suggesting that there is very little loss due to the lattice mismatch.« less

GaSb and GaSb/AlSb Superlattice Buffer Layers for High-Quality Photodiodes Grown on Commercial GaAs and Si Substrates

NASA Astrophysics Data System (ADS)

Gutiérrez, M.; Lloret, F.; Jurczak, P.; Wu, J.; Liu, H. Y.; Araújo, D.

2018-05-01

The objective of this work is the integration of InGaAs/GaSb/GaAs heterostructures, with high indium content, on GaAs and Si commercial wafers. The design of an interfacial misfit dislocation array, either on GaAs or Si substrates, allowed growth of strain-free devices. The growth of purposely designed superlattices with their active region free of extended defects on both GaAs and Si substrates is demonstrated. Transmission electron microscopy technique is used for the structural characterization and plastic relaxation study. In the first case, on GaAs substrates, the presence of dopants was demonstrated to reduce several times the threading dislocation density through a strain-hardening mechanism avoiding dislocation interactions, while in the second case, on Si substrates, similar reduction of dislocation interactions is obtained using an AlSb/GaSb superlattice. The latter is shown to redistribute spatially the interfacial misfit dislocation array to reduce dislocation interactions.

Anisotropic strain relaxation of Si-doped metamorphic InAlAs graded buffers on InP

NASA Astrophysics Data System (ADS)

Gu, Yi; Zhang, Yonggang; Chen, Xingyou; Ma, Yingjie; Zheng, Yuanliao; Du, Ben; Zhang, Jian

2017-09-01

The effects of Si doping on the strain relaxation of InP-based metamorphic In x Al1-x As graded buffers have been investigated. The highly Si-doped sample shows an increased ridge period along the [1 1 0] direction in the cross-hatch morphology measured by atomic force microscope. X-ray diffraction reciprocal space mapping measurements reveal that the high Si-doping induced incomplete relaxation as well as inhomogeneous residual strain along the [1 -1 0] direction, which was also observed in micro-Raman measurements. The anisotropic strain relaxation is attributed to the Si-doping enhanced anisotropy of misfit dislocations along the orthogonal directions. The α-misfit dislocations along the [1 -1 0] direction are further delayed to generate in highly Si-doped InAlAs buffer, while the β-misfit dislocations along the [1 1 0] direction are not. These results supply useful suggestions on the design and demonstration of semiconductor metamorphic devices.

Lattice-Mismatch-Induced Oscillatory Feature Size and Its Impact on the Physical Limitation of Grain Size

NASA Astrophysics Data System (ADS)

Deng, Jinyu; Li, Huihui; Dong, Kaifeng; Li, Run-Wei; Peng, Yingguo; Ju, Ganping; Hu, Jiangfeng; Chow, Gan Moog; Chen, Jingsheng

2018-03-01

We find that the misfit strain may lead to the oscillatory size distributions of heteroepitaxial nanostructures. In heteroepitaxial FePt thin films grown on single-crystal MgO substrate, ⟨110 ⟩ -oriented mazelike and granular patterns with "quantized" feature sizes are realized in scanning-electron-microscope images. The physical mechanism responsible for the size oscillations is related to the oscillatory nature of the misfit strain energy in the domain-matching epitaxial FePt /MgO system, which is observed by transmission electron microscopy. Based on the experimental observations, a model is built and the results suggest that when the FePt island sizes are an integer times the misfit dislocation period, the misfit strain can be completely canceled by the misfit dislocations. With applying the mechanism, small and uniform grain is obtained on the TiN (200) polycrystalline underlayer, which is suitable for practical application. This finding may offer a way to synthesize nanostructured materials with well-controlled size and size distribution by tuning the lattice mismatch between the epitaxial-grown heterostructure.

Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolluri, Kedarnath; Martinez Saez, Enrique; Uberuaga, Blas Pedro

Interfaces, grain boundaries, and dislocations are known to have significant impact on the transport properties of materials. Even so, it is still not clear how the structure of interfaces influences the mobility and concentration of carriers that are responsible for transport. Using low angle twist grain boundaries in MgO as a model system, we examine the structural and kinetic properties of vacancies. These boundaries are characterized by a network of screw dislocations. Vacancies of both types, Mg and O, are strongly attracted to the dislocation network, residing preferentially at the misfit dislocation intersections (MDIs). However, the vacancies can lower theirmore » energy by splitting into two parts, which then repel each other along the dislocation line between two MDIs, further lowering their energy. This dissociated structure has important consequences for transport, as the free energy of the dissociated vacancies decreases with decreasing twist angle, leading to an increase in the net migration barrier for diffusion as revealed by molecular dynamics simulations. Similar behavior is observed in BaO and NaCl, highlighting the generality of the behavior. Finally, we analyze the structure of the dissociated vacancies as a pair of jogs on the dislocation and construct a model containing electrostatic and elastic contributions that qualitatively describe the energetics of the dissociated vacancy. Our results represent the first validation of a mechanism for vacancy dissociation on screw dislocations in ionic materials first discussed by Thomson and Balluffi in 1962.« less

Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds

DOE PAGES

Kolluri, Kedarnath; Martinez Saez, Enrique; Uberuaga, Blas Pedro

2018-03-05

Interfaces, grain boundaries, and dislocations are known to have significant impact on the transport properties of materials. Even so, it is still not clear how the structure of interfaces influences the mobility and concentration of carriers that are responsible for transport. Using low angle twist grain boundaries in MgO as a model system, we examine the structural and kinetic properties of vacancies. These boundaries are characterized by a network of screw dislocations. Vacancies of both types, Mg and O, are strongly attracted to the dislocation network, residing preferentially at the misfit dislocation intersections (MDIs). However, the vacancies can lower theirmore » energy by splitting into two parts, which then repel each other along the dislocation line between two MDIs, further lowering their energy. This dissociated structure has important consequences for transport, as the free energy of the dissociated vacancies decreases with decreasing twist angle, leading to an increase in the net migration barrier for diffusion as revealed by molecular dynamics simulations. Similar behavior is observed in BaO and NaCl, highlighting the generality of the behavior. Finally, we analyze the structure of the dissociated vacancies as a pair of jogs on the dislocation and construct a model containing electrostatic and elastic contributions that qualitatively describe the energetics of the dissociated vacancy. Our results represent the first validation of a mechanism for vacancy dissociation on screw dislocations in ionic materials first discussed by Thomson and Balluffi in 1962.« less

Propagation of misfit dislocations from buffer/Si interface into Si

DOEpatents

Liliental-Weber, Zuzanna [El Sobrante, CA; Maltez, Rogerio Luis [Porto Alegre, BR; Morkoc, Hadis [Richmond, VA; Xie, Jinqiao [Raleigh, VA

2011-08-30

Misfit dislocations are redirected from the buffer/Si interface and propagated to the Si substrate due to the formation of bubbles in the substrate. The buffer layer growth process is generally a thermal process that also accomplishes annealing of the Si substrate so that bubbles of the implanted ion species are formed in the Si at an appropriate distance from the buffer/Si interface so that the bubbles will not migrate to the Si surface during annealing, but are close enough to the interface so that a strain field around the bubbles will be sensed by dislocations at the buffer/Si interface and dislocations are attracted by the strain field caused by the bubbles and move into the Si substrate instead of into the buffer epi-layer. Fabrication of improved integrated devices based on GaN and Si, such as continuous wave (CW) lasers and light emitting diodes, at reduced cost is thereby enabled.

Molecular dynamics studies of InGaN growth on nonpolar (11 2 \\xAF0 ) GaN surfaces

NASA Astrophysics Data System (ADS)

Chu, K.; Gruber, J.; Zhou, X. W.; Jones, R. E.; Lee, S. R.; Tucker, G. J.

2018-01-01

We have performed direct molecular dynamics (MD) simulations of heteroepitaxial vapor deposition of I nxG a1 -xN films on nonpolar (11 2 ¯0 ) wurtzite-GaN surfaces to investigate strain relaxation by misfit-dislocation formation. The simulated growth is conducted on an atypically large scale by sequentially injecting nearly a million individual vapor-phase atoms towards a fixed GaN substrate. We apply time-and-position-dependent boundary constraints to affect the appropriate environments for the vapor phase, the near-surface solid phase, and the bulklike regions of the growing layer. The simulations employ a newly optimized Stillinger-Weber In-Ga-N system interatomic potential wherein multiple binary and ternary structures are included in the underlying density-functional theory and experimental training sets to improve the treatment of the In-Ga-N related interactions. To examine the effect of growth conditions, we study a matrix of 63 different MD-growth simulations spanning seven I nxG a1 -xN -alloy compositions ranging from x =0.0 to x =0.8 and nine growth temperatures above half the simulated melt temperature. We found a composition dependent temperature range where all kinetically trapped defects were eliminated, leaving only quasiequilibrium misfit and threading dislocations present in the simulated films. Based on the MD results obtained in this temperature range, we observe the formation of interfacial misfit and threading dislocation arrays with morphologies strikingly close to those seen in experiments. In addition, we compare the MD-observed thickness-dependent onset of misfit-dislocation formation to continuum-elasticity-theory models of the critical thickness and find reasonably good agreement. Finally, we use the three-dimensional atomistic details uniquely available in the MD-growth histories to directly observe the nucleation of dislocations at surface pits in the evolving free surface.

Ultrastrong steel via minimal lattice misfit and high-density nanoprecipitation

NASA Astrophysics Data System (ADS)

Jiang, Suihe; Wang, Hui; Wu, Yuan; Liu, Xiongjun; Chen, Honghong; Yao, Mengji; Gault, Baptiste; Ponge, Dirk; Raabe, Dierk; Hirata, Akihiko; Chen, Mingwei; Wang, Yandong; Lu, Zhaoping

2017-04-01

Next-generation high-performance structural materials are required for lightweight design strategies and advanced energy applications. Maraging steels, combining a martensite matrix with nanoprecipitates, are a class of high-strength materials with the potential for matching these demands. Their outstanding strength originates from semi-coherent precipitates, which unavoidably exhibit a heterogeneous distribution that creates large coherency strains, which in turn may promote crack initiation under load. Here we report a counterintuitive strategy for the design of ultrastrong steel alloys by high-density nanoprecipitation with minimal lattice misfit. We found that these highly dispersed, fully coherent precipitates (that is, the crystal lattice of the precipitates is almost the same as that of the surrounding matrix), showing very low lattice misfit with the matrix and high anti-phase boundary energy, strengthen alloys without sacrificing ductility. Such low lattice misfit (0.03 ± 0.04 per cent) decreases the nucleation barrier for precipitation, thus enabling and stabilizing nanoprecipitates with an extremely high number density (more than 1024 per cubic metre) and small size (about 2.7 ± 0.2 nanometres). The minimized elastic misfit strain around the particles does not contribute much to the dislocation interaction, which is typically needed for strength increase. Instead, our strengthening mechanism exploits the chemical ordering effect that creates backstresses (the forces opposing deformation) when precipitates are cut by dislocations. We create a class of steels, strengthened by Ni(Al,Fe) precipitates, with a strength of up to 2.2 gigapascals and good ductility (about 8.2 per cent). The chemical composition of the precipitates enables a substantial reduction in cost compared to conventional maraging steels owing to the replacement of the essential but high-cost alloying elements cobalt and titanium with inexpensive and lightweight aluminium. Strengthening of this class of steel alloy is based on minimal lattice misfit to achieve maximal precipitate dispersion and high cutting stress (the stress required for dislocations to cut through coherent precipitates and thus produce plastic deformation), and we envisage that this lattice misfit design concept may be applied to many other metallic alloys.

Ultrastrong steel via minimal lattice misfit and high-density nanoprecipitation.

PubMed

Jiang, Suihe; Wang, Hui; Wu, Yuan; Liu, Xiongjun; Chen, Honghong; Yao, Mengji; Gault, Baptiste; Ponge, Dirk; Raabe, Dierk; Hirata, Akihiko; Chen, Mingwei; Wang, Yandong; Lu, Zhaoping

2017-04-27

Next-generation high-performance structural materials are required for lightweight design strategies and advanced energy applications. Maraging steels, combining a martensite matrix with nanoprecipitates, are a class of high-strength materials with the potential for matching these demands. Their outstanding strength originates from semi-coherent precipitates, which unavoidably exhibit a heterogeneous distribution that creates large coherency strains, which in turn may promote crack initiation under load. Here we report a counterintuitive strategy for the design of ultrastrong steel alloys by high-density nanoprecipitation with minimal lattice misfit. We found that these highly dispersed, fully coherent precipitates (that is, the crystal lattice of the precipitates is almost the same as that of the surrounding matrix), showing very low lattice misfit with the matrix and high anti-phase boundary energy, strengthen alloys without sacrificing ductility. Such low lattice misfit (0.03 ± 0.04 per cent) decreases the nucleation barrier for precipitation, thus enabling and stabilizing nanoprecipitates with an extremely high number density (more than 10 24 per cubic metre) and small size (about 2.7 ± 0.2 nanometres). The minimized elastic misfit strain around the particles does not contribute much to the dislocation interaction, which is typically needed for strength increase. Instead, our strengthening mechanism exploits the chemical ordering effect that creates backstresses (the forces opposing deformation) when precipitates are cut by dislocations. We create a class of steels, strengthened by Ni(Al,Fe) precipitates, with a strength of up to 2.2 gigapascals and good ductility (about 8.2 per cent). The chemical composition of the precipitates enables a substantial reduction in cost compared to conventional maraging steels owing to the replacement of the essential but high-cost alloying elements cobalt and titanium with inexpensive and lightweight aluminium. Strengthening of this class of steel alloy is based on minimal lattice misfit to achieve maximal precipitate dispersion and high cutting stress (the stress required for dislocations to cut through coherent precipitates and thus produce plastic deformation), and we envisage that this lattice misfit design concept may be applied to many other metallic alloys.

Investigation of the asymmetric misfit dislocation morphology in epitaxial layers with the zinc-blende structure

NASA Technical Reports Server (NTRS)

Fox, Bradley A.; Jesser, William A.

1990-01-01

The source of the asymmetry in the dislocation morphology exhibited in the epitaxial growth of compound semiconductors on (100) was investigated. A thickness wedge of p- and n-type GaAs(0.95)P(0.05) was grown on GaAs by metalorganic chemical vapor deposition, and the effect of misorientation on the resolved shear stress for each slip system was calculated and eliminated as the source of the asymmetry. Another potential source of asymmetry, the thickness gradient, was also eliminated. Results show that the substrate misorientation and the thickness gradient do not significantly contribute to the asymmetry and that the dominant contributor to the asymmetry of misfit dislocations in the (001) epitaxial interface can be attributed to the differences in the Peierls barriers between the two types of dilocations in GaAsP/GaAs.

Preferential nucleation, guiding, and blocking of self-propelled droplets by dislocations

NASA Astrophysics Data System (ADS)

Kanjanachuchai, Songphol; Wongpinij, Thipusa; Kijamnajsuk, Suphakan; Himwas, Chalermchai; Panyakeow, Somsak; Photongkam, Pat

2018-04-01

Lattice-mismatched layers of GaAs/InGaAs are grown on GaAs(001) using molecular beam epitaxy and subsequently heated in vacuum while the surface is imaged in situ using low-energy electron microscopy, in order to study (i) the nucleation of group-III droplets formed as a result of noncongruent sublimation and (ii) the dynamics of these self-propelled droplets as they navigate the surface. It is found that the interfacial misfit dislocation network not only influences the nucleation sites of droplets, but also exerts unusual steering power over their subsequent motion. Atypical droplet flow patterns including 90° and 180° turns are found. The directions of these dislocations-guided droplets are qualitatively explained in terms of in-plane and out-of-plane stress fields associated with the buried dislocations and the driving forces due to chemical potential and stress gradients typical of Marangoni flow. The findings would benefit processes and devices that employ droplets as catalysts or active structures such as droplet epitaxy of quantum nanostructures, vapor-liquid-solid growth of nanowires, or the fabrication of self-integrated circuits.

Origins of interlayer formation and misfit dislocation displacement in the vicinity of InAs/GaAs quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, S.; Kim, S. J.; Pan, X. Q.

We have examined the origins of interlayer formation and misfit dislocation (MD) displacement in the vicinity of InAs/GaAs quantum dots (QDs). For QDs formed by the Stranski-Krastanov mode, regularly spaced MDs nucleate at the interface between the QD and the GaAs buffer layer. In the droplet epitaxy case, both In island formation and In-induced “nano-drilling” of the GaAs buffer layer are observed during In deposition. Upon annealing under As flux, the In islands are converted to InAs QDs, with an InGaAs interlayer at the QD/buffer interface. Meanwhile, MDs nucleate at the QD/interlayer interface.

The effect of realistic forces in finite epitaxial islands: Equilibrium structure, stability limits and substrate-induced dissociation of migrating clusters

NASA Astrophysics Data System (ADS)

Milchev, Andrey; Markov, Ivan

1985-06-01

The behaviour of finite epitaxial islands in the periodic field of the substrate is theoretically investigated. The harmonic interactions, traditionally adopted in the model of Frank and Van der Merwe, are replaced by Toda and Morse potentials and sets of difference recursion equations, governing the equilibrium properties of the system, are derived and solved numerically. It is shown that allowing for anharmonicity in the interactions in the deposit reveals several qualiatively new effects, such as: (1) The existence of substrate-induced rupture of anharmonic clusters which migrate on the substrate. It is predicted that such dissociation should be enhanced, if (a) the energy barrier for surface diffusion is increased, (b) the natural incompatibility between substrate and deposit is decreased, and (c) the size of the clusters grows. (2) A split in the misfit stability limits for pseudomorphism and for spontaneous generation of misfit dislocations with respect to the sign of the misfit. The limits corresponding to negative misfit rapidly increase while the positive misfit limits decrease (in absolute terms) with growing degree of anharmonicity. (3) A marked asymmetry in the magnitude of various properties of the clusters, such as adhesion to the substrate, activation energy for surface diffusion, mean strain, dislocation lengths, etc., with respect to the sign of the mismatch between surface and deposit.

Misfit strain relaxation in (Ba0.60Sr0.40)TiO3 epitaxial thin films on orthorhombic NdGaO3 substrates

NASA Astrophysics Data System (ADS)

Simon, W. K.; Akdogan, E. K.; Safari, A.

2006-07-01

Strain relaxation in (Ba0.60Sr0.40)TiO3 (BST) thin films on ⟨110⟩ orthorhombic NdGaO3 substrates is investigated by x-ray diffractometry. Pole figure analysis indicates a [010]BST∥[1¯10]NGO and [001]BST∥[001]NGO in-plane and [100]BST∥[100]NGO out-of-plane epitaxial relationship. The residual strains are relaxed at h ˜200nm, and for h >600nm, films are essentially strain free. Two independent dislocations mechanisms operate to relieve the anisotropic misfit strains along the principal directions. The critical thickness for misfit dislocation formation along [001] and [010] are 11 and 15nm, respectively. Stress analysis indicates deviation from linear elasticity for h <200. The films with 10

Analytical model of the effect of misfit dislocation character on the bubble-to-void transition in metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martínez, Enrique; Schwen, Daniel; Hetherly, Jeffrey

Here, this paper addresses the role of misfit dislocations in the nucleation and growth of nanoscale He bubbles at interfaces. In a recent work, we studied the nanoscale effects on the capillarity equation and on equilibrium conditions. We proposed an expression for surface energy and for the equation of state, EOS, for He in bubbles, which have a size dependence that captures the role of the interface forces, which become relevant at the nanoscale. Here we determine the EOS for several twist grain boundaries in Fe and Cu and incorporate these results into the rate equation that determines the bubble-to-voidmore » transition, focusing on the influence of interface dislocations on the evaporation rate of vacancies. We find a significant effect of the magnitude of the Burgers vector of the dislocations on the critical radius for the transition. In conclusion, these results give a quantitative way to characterize grain boundaries in their ability to capture He and alter the onset of swelling.« less

Analytical model of the effect of misfit dislocation character on the bubble-to-void transition in metals

DOE PAGES

Martínez, Enrique; Schwen, Daniel; Hetherly, Jeffrey; ...

2015-11-30

Here, this paper addresses the role of misfit dislocations in the nucleation and growth of nanoscale He bubbles at interfaces. In a recent work, we studied the nanoscale effects on the capillarity equation and on equilibrium conditions. We proposed an expression for surface energy and for the equation of state, EOS, for He in bubbles, which have a size dependence that captures the role of the interface forces, which become relevant at the nanoscale. Here we determine the EOS for several twist grain boundaries in Fe and Cu and incorporate these results into the rate equation that determines the bubble-to-voidmore » transition, focusing on the influence of interface dislocations on the evaporation rate of vacancies. We find a significant effect of the magnitude of the Burgers vector of the dislocations on the critical radius for the transition. In conclusion, these results give a quantitative way to characterize grain boundaries in their ability to capture He and alter the onset of swelling.« less

Glide dislocation nucleation from dislocation nodes at semi-coherent {111} Cu–Ni interfaces

DOE PAGES

Shao, Shuai; Wang, Jian; Beyerlein, Irene J.; ...

2015-07-23

Using atomistic simulations and dislocation theory on a model system of semi-coherent {1 1 1} interfaces, we show that misfit dislocation nodes adopt multiple atomic arrangements corresponding to the creation and redistribution of excess volume at the nodes. We identified four distinctive node structures: volume-smeared nodes with (i) spiral or (ii) straight dislocation patterns, and volume-condensed nodes with (iii) triangular or (iv) hexagonal dislocation patterns. Volume-smeared nodes contain interfacial dislocations lying in the Cu–Ni interface but volume-condensed nodes contain two sets of interfacial dislocations in the two adjacent interfaces and jogs across the atomic layer between the two adjacent interfaces.more » Finally, under biaxial tension/compression applied parallel to the interface, we show that the nucleation of lattice dislocations is preferred at the nodes and is correlated with the reduction of excess volume at the nodes.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sung Bo, E-mail: bolee@snu.ac.kr; Han, Heung Nam, E-mail: hnhan@snu.ac.kr; Kim, Young-Min

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 substitutionmore » of Si for Al.« less

Phase-field crystal modeling of compositional domain formation in ultrathin films.

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

Bulk-immiscible binary systems often form stress-induced miscible alloy phases when deposited on a substrate. Both alloying and surface dislocation formation lead to the decrease of the elastic strain energy, and the competition between these two strain-relaxation mechanisms gives rise to the emergence of pseudomorphic compositional nanoscale domains, often coexisting with a partially coherent single phase. In this work, we develop a phase-field crystal model for compositional patterning in monolayer aggregates of binary metallic systems. We first demonstrate that the model naturally incorporates the competition between alloying and misfit dislocations, and quantify the effects of misfit and line tension on equilibrium domain size. Then, we quantitatively relate the parameters of the phase-field crystal model to a specific system, CoAg/Ru(0001), and demonstrate that the simulations capture experimentally observed morphologies.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao, Shuai; Wang, Jian

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes.more » The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.« less

Effect of lattice-misfit strain on the process-induced imprint behavior in epitaxial Pb (Zr0.52Ti0.48)O3 thin films

NASA Astrophysics Data System (ADS)

Wu, Wenbin; Wang, Y.; Pang, G. K. H.; Wong, K. H.; Choy, C. L.

2004-08-01

The effect of lattice-misfit strain on the process-induced imprint behavior in Pb (Zr0.52Ti0.48)O3 (PZT) capacitors with Pt (top), and SrRuO3, La0.7Sr0.3MnO3 or LaNiO3 (bottom) electrodes has been studied. With the different oxide electrodes and by changing the deposition oxygen pressure, various lattice-misfit strains in the epitaxial PZT films have been produced. It was found that after in situ annealing at reduced oxygen pressures, the capacitors showed an increased voltage offset in the polarization-electric field hysteresis loops with increasing the misfit strain, irrelevant to the oxide electrodes employed, while lattice disorder at the bottom interface can effectively eliminate the voltage shift. Our results suggest that the imprint behavior is caused by oxygen loss via dislocations generated by the misfit strain relaxation at the growth temperature.

ICCG-10: International Conference on Crystal Growth (10th) Held in San Diego, California on August 16-21, 1992. Oral Presentation Abstracts.

DTIC Science & Technology

1992-10-01

Renewable Energy Lab. USA University of Madras. India and Oxford University. UK 12:00 Misfit Dislocation Formation and Interaction in Ge on (001) SI 12:00...Bulgaria and Institute of Crystailography. Russia 10:30 interstep Interaction In Solution Growth (101) AOIP Face 10:30 Growth of a First Organic...silicon interactions , and potentials with a similar analytical in heteroepitaxial systems with appreciable misfit. The stability form represented

Optoelectronics Material Center: A Collaborative Program Including Center for High Technology Materials of the University of New Mexico, Stanford University, California Institute of Technology

DTIC Science & Technology

1992-09-01

SI by Ion-Assisted Molecular Beam Enltaxy Currently there is considerable interest in misfit accommodation in hetero- epitaxy for integration of device...of misfit accommodation. In the last quarter, we have demonstrated, using ion-assisted molecular beam epitaxy : * Reduction of dislocation density in... beam epitaxy (MOMBE) hardware, and demonstration of state-of-the-art MOMBE AlGaAs (1990). MOCVD Materials Growth Facilities and Eauipment Extension to

Oxide surfaces and metal/oxide interfaces studied by grazing incidence X-ray scattering

NASA Astrophysics Data System (ADS)

Renaud, Gilles

Experimental determinations of the atomic structure of insulating oxide surfaces and metal/oxide interfaces are scarce, because surface science techniques are often limited by the insulating character of the substrate. Grazing incidence X-ray scattering (GIXS), which is not subject to charge effects, can provide very precise information on the atomic structure of oxide surfaces: roughness, relaxation and reconstruction. It is also well adapted to analyze the atomic structure, the registry, the misfit relaxation, elastic or plastic, the growth mode and the morphology of metal/oxide interfaces during their growth, performed in situ. GIXS also allows the analysis of thin films and buried interfaces, in a non-destructive way, yielding the epitaxial relationships, and, by variation of the grazing incidence angle, the lattice parameter relaxation along the growth direction. On semi-coherent interfaces, the existence of an ordered network of interfacial misfit dislocations can be demonstrated, its Burger's vector determined, its ordering during in situ annealing cycles followed, and sometimes even its atomic structure can be addressed. Careful analysis during growth allows the modeling of the dislocation nucleation process. This review emphasizes the new information that GIXS can bring to oxide surfaces and metal/oxide interfaces by comparison with other surface science techniques. The principles of X-ray diffraction by surfaces and interfaces are recalled, together with the advantages and properties of grazing angles. The specific experimental requirements are discussed. Recent results are presented on the determination of the atomic structure of relaxed or reconstructed oxide surfaces. A description of results obtained during the in situ growth of metal on oxide surfaces is also given, as well as investigations of thick metal films on oxide surfaces, with lattice parameter misfit relaxed by an array of dislocations. Recent work performed on oxide thin films having important physical properties such as superconductivity or magnetism is also briefly reviewed. The strengths and limitations of the technique, such as the need for single crystals and surfaces of high crystalline quality are discussed. Finally, an outlook of future prospects in the field is given, such as the study of more complex oxide surfaces, vicinal surfaces, reactive metal/oxide interfaces, metal oxidation processes, the use of surfactants to promote wetting of a metal deposited on an oxide surface or the study of oxide/liquid interfaces in a non-UHV environment.

Influence of crystallography and bonding on the structure and migration of irrational interphase boundaries

NASA Astrophysics Data System (ADS)

Aaronson, H. I.

2006-03-01

Interphase boundary structure developed during precipitation from solid solution and during massive transformations is considered in diverse alloy systems in the presence of differences in stacking sequence across interphase boundaries. Linear misfit compensating defects, including misfit dislocations, structural disconnections, and misfit disconnections, are present over a wide range of crystallographie when both phases have metallic bonding. Misfit dislocations have also been observed when both phases have covalent bonding ( e.g., US: β US2 by Sole and van der Walt). These defects are also found when one phase is ionic and the other is metallic (Nb∶Al2O3 by Rühle et al.), albeit when the latter is formed by vapor deposition. However, when bonding is metallic in one phase but significantly covalent in the other, the structure of the interphase boundary appears to depend upon the strength of the covalent bonding relative to that in the metallically bonded phase. When this difference is large, growth can take place as if it were occurring at a free surface, resulting in orientation relationships that are irrational and conjugate habit planes that are ill matched ( e.g., ZrN: α Zr-N by Li et al. and Xe(solid):Al-Xe by Kishida and Yamaguchi). At lower levels of bonding directionality and strength, crystallography is again irrational, but now edge-to-edge-based low-energy structures can replace linear misfit compensating defects (γm:TiAl:αTi-Al by Reynolds et al.). In the perhaps still smaller difference case of Widmanstätten cementite precipitated from austenite, one orientation relationship yields plates with linear misfit compensating defects at their broad faces whereas another (presumably nucleated at different types of site) produces laths with poorly defined shapes and interfacial structures. Hence, Hume-Rothery-type bonding considerations can markedly affect interphase boundary structure and thus the mechanisms, kinetics, and morphology of growth.

Self-organized nano-structuring of CoO islands on Fe(001)

NASA Astrophysics Data System (ADS)

Brambilla, A.; Picone, A.; Giannotti, D.; Riva, M.; Bussetti, G.; Berti, G.; Calloni, A.; Finazzi, M.; Ciccacci, F.; Duò, L.

2016-01-01

The realization of nanometer-scale structures through bottom-up strategies can be accomplished by exploiting a buried network of dislocations. We show that, by following appropriate growth steps in ultra-high vacuum molecular beam epitaxy, it is possible to grow nano-structured films of CoO coupled to Fe(001) substrates, with tunable sizes (both the lateral size and the maximum height scale linearly with coverage). The growth mode is discussed in terms of the evolution of surface morphology and chemical interactions as a function of the CoO thickness. Scanning tunneling microscopy measurements reveal that square mounds of CoO with lateral dimensions of less than 25 nm and heights below 10 atomic layers are obtained by growing few-nanometers-thick CoO films on a pre-oxidized Fe(001) surface covered by an ultra-thin Co buffer layer. In the early stages of growth, a network of misfit dislocations develops, which works as a template for the CoO nano-structuring. From a chemical point of view, at variance with typical CoO/Fe interfaces, neither Fe segregation at the surface nor Fe oxidation at the buried interface are observed, as seen by Auger electron spectroscopy and X-ray Photoemission Spectroscopy, respectively.

Growth and characterization of an InSb infrared photoconductor on Si via an AlSb/GaSb buffer

NASA Astrophysics Data System (ADS)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

2018-05-01

A 99.6% relaxed InSb layer is grown on a 6° offcut (1 0 0) Si substrate via an AlSb/GaSb buffer using molecular beam epitaxy (MBE). A 200 nm GaSb buffer is first grown on Si and the lattice mismatch between them is accommodated by an interfacial misfit (IMF) array consisting of uniformly distributed 90° misfit dislocations. Si delta doping is introduced during the growth of GaSb to reduce the density of threading dislocation. Subsequently, a 50 nm AlSb buffer is grown followed by a 0.8 μm InSb layer. The InSb layer exhibits a 300 K electron mobility of 22,300 cm2/Vs. An InSb photoconductor on Si is demonstrated with a photoconductive gain from 77 K to 200 K under a 700 °C maintained blackbody.

Materials science in pre-plated leadframes for electronic packages

NASA Astrophysics Data System (ADS)

Liu, Lilin

Au/Pd/Ni pre-plated leadframes (PPF) are high performance frames for accommodating high-end electronic packages. Cost and reliability are major concerns in their wide application. The present work, from a materials science point view, deepens the understanding of PPFs, optimizes the conventional PPFs, develops a novel PPF architecture and models the residual stress relaxation in heteroepitaxial thin films. The wire pull test, the solderability test, and High-Resolution Transmission Electron Microscopy (HRTEM) were employed to characterize the PPFs in order to understand the relationship between performance and microstructure. We optimized the electroplating profiles and determined the minimum thickness of the Pd layer with the PPF performance satisfying the industry standards. Further increasing the Pd layer thickness beyond the critical thickness will not enhance the performance more, but increase the product cost. With the optimized electroplating profile, the electroplated Au layer is epitaxially deposited on the Pd layer, and so does the Pd layer on the Ni layer. Misfit dislocations and nanotwins are present at the interface between the Pd and Ni layers, which are generated to release the about 10.4% misfit strain between the Pd and Ni lattices. This work demonstrates that the electro-deposition technique can electroplate epitaxy-like Pd films on the highly (200) textured Ni films, which are grown on the Cu substrates. A novel technique for impeding Cu out-diffusion in Cu alloy based pre-plated leadframes was developed by electroplating a 3-4 nm thick Sn layer on a Cu alloy base prior to electroplating a Ni layer. A 10-14 nm thick epitaxy-like and dense (Cu,Ni)3Sn intermetallic compound (IMC) layer is automatically formed en route of diffuse reaction, which leads to a drastic reduction in Cu out-diffusion and hence improves significantly the protection of the leadframes against oxidation and corrosion attack. The oxidation behaviours were quantified by Electron Diffraction X-ray (EX) incorporated in Scanning Electron Microscopy (SEM) in the present work, which is a good complementary to the traditional weight gain test by a balance. A diffusion/oxidation model was developed to estimate the effective diffusion coefficient of Cu in the formed IMC nanolayers. The estimated Cu diffusion coefficient in the IMC interlayer is about 1.6x10 -22m2/s at 250°C, which is around 7~11 orders lower than the interdiffusion coefficients for eta- Cu6Sn5 and epsilon- Cu3Sn phases at corresponding temperatures. Based on the dislocation theory of twinning, analytical solutions by using the hybrid superposition and Fourier transformation approach were derived for the calculation of various energies involved in the misfit twinning process. For a given epilayer thickness and lattice mismatch strain, the twin formation energy should reach its minimum to determine the twin width and a zero minimum formation energy determines the critical thickness for misfit twinning. The effect of elastic mismatch between the epilayer and the substrate on the critical thickness was studied comprehensively, revealing that an elastically soft epilayer has a large critical thickness. Moreover, a misfit-twin-and-perfect-dislocation predominance chart is constructed to predict the predominant regions of misfit twinning and perfect dislocation in the mismatch strain and the specific twin boundary energy domain. Multiple misfit twins in epilayer/substrate systems were studied by summing up the stress and displacement fields of individual twins. In principle, the energy minimization approach can be applied to multiple misfit twins, although only periodic arrays of parallel and alternating twins were investigated here in detail. The equilibrium twin width and equilibrium twin spacing of a periodic array of twins represent the misfit twin morphology. The theoretical results indicate that the difference in elastic constants between an epilayer and its substrate has great effects on the morphology of equilibrium twins. The theoretical predictions agree with experimental observations.

Growth of highly strained CeO 2 ultrathin films

DOE PAGES

Shi, Yezhou; Lee, Sang Chul; Monti, Matteo; ...

2016-11-07

Large biaxial strain is a promising route to tune the functionalities of oxide thin films. However, large strain is often not fully realized due to the formation of misfit dislocations at the film/substrate interface. In this work, we examine the growth of strained ceria (CeO 2) thin films on (001)-oriented single crystal yttria-stabilized zirconia (YSZ) via pulsed-laser deposition. By varying the film thickness systematically between 1 and 430 nm, we demonstrate that ultrathin ceria films are coherently strained to the YSZ substrate for thicknesses up to 2.7 nm, despite the large lattice mismatch (~5%). The coherency is confirmed by bothmore » X-ray diffraction and high-resolution transmission electron microscopy. This thickness is several times greater than the predicted equilibrium critical thickness. Partial strain relaxation is achieved by forming semirelaxed surface islands rather than by directly nucleating dislocations. In situ reflective high-energy electron diffraction during growth confirms the transition from 2-D (layer-by-layer) to 3-D (island) at a film thickness of ~1 nm, which is further supported by atomic force microscopy. We propose that dislocations likely nucleate near the surface islands and glide to the film/substrate interface, as evidenced by the presence of 60° dislocations. Finally, an improved understanding of growing oxide thin films with a large misfit lays the foundation to systematically explore the impact of strain and dislocations on properties such as ionic transport and redox chemistry.« less

Dislocation mechanisms in stressed crystals with surface effects

NASA Astrophysics Data System (ADS)

Wu, Chi-Chin; Crone, Joshua; Munday, Lynn; Discrete Dislocation Dynamics Team

2014-03-01

Understanding dislocation properties in stressed crystals is the key for important processes in materials science, including the strengthening of metals and the stress relaxation during the growth of hetero-epitaxial structures. Despite existing experimental approaches and theories, many dislocation mechanisms with surface effects still remain elusive in experiments. Even though discrete dislocation dynamics (DDD) simulations are commonly employed to study dislocations, few demonstrate sufficient computational capabilities for massive dislocations with the combined effects of surfaces and stresses. Utilizing the Army's newly developed FED3 code, a DDD computation code coupled with finite elements, this work presents several dislocation mechanisms near different types of surfaces in finite domains. Our simulation models include dislocations in a bended metallic cantilever beam, near voids in stressed metals, as well as threading and misfit dislocations in as-grown semiconductor epitaxial layers and their quantitative inter-correlations to stress relaxation and surface instability. Our studies provide not only detailed physics of individual dislocation mechanisms, but also important collective dislocation properties such as dislocation densities and strain-stress profiles and their interactions with surfaces.

Dislocation nucleation facilitated by atomic segregation

NASA Astrophysics Data System (ADS)

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; Zakharov, Dmitri; Wiezorek, Jörg M. K.; Su, Dong; Yin, Qiyue; Li, Jonathan; Liu, Zhenyu; Stach, Eric A.; Yang, Judith C.; Qi, Liang; Wang, Guofeng; Zhou, Guangwen

2018-01-01

Surface segregation--the enrichment of one element at the surface, relative to the bulk--is ubiquitous to multi-component materials. Using the example of a Cu-Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface diffusion and trapping process. The resulting chemically ordered surface regions acts as an effective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associated with their nucleation, glide, climb, and annihilation at elevated temperatures. These observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.

Relaxation mechanisms, structure and properties of semi-coherent interfaces

DOE PAGES

Shao, Shuai; Wang, Jian

2015-10-15

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes.more » The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.« less

Fundamental Studies of Strengthening Mechanisms in Metals Using Dislocation Dynamics

DTIC Science & Technology

2006-03-26

to quantify the elastic fields of inclusion eigenstrain problems in 2D and 3D (Lerma et al. 2003). The inclusions can be of any shape or size and the... eigenstrains can be arbitrarily assigned, i.e. constant or non-constant within the inclusion. The method works well for material or field points...geometry and misfits. Recently, we have developed a new distributed-dislocation method for modeling eigenstrain problems such as gamma prime inclusions

Solute atmospheres at dislocations

DOE PAGES

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

2017-06-01

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

Solute atmospheres at dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirth, John P.; Barnett, David M.; Hoagland, Richard G.

In this study, a two-dimensional plane strain elastic solution is determined for the Cottrell solute atmosphere around an edge dislocation in an infinitely long cylinder of finite radius (the matrix), in which rows of solutes are represented by cylindrical rods with in-plane hydrostatic misfit (axial misfit is also considered). The periphery of the matrix is traction-free, thus introducing an image solute field which generates a solute-solute interaction energy that has not been considered previously. The relevant energy for the field of any distribution of solutes coexistent with a single edge dislocation along the (matrix) cylinder axis is determined, and coherencymore » effects are discussed and studied. Monte Carlo simulations accounting for all pertinent interactions over a range of temperatures are found to yield solute distributions different from classical results, namely, (1) Fermi-Dirac condensations at low temperatures at the free surface, (2) the majority of the atmosphere lying within an unexpectedly large non-linear interaction region near the dislocation core, and (3) temperature-dependent asymmetrical solute arrangements that promote bending. The solute distributions at intermediate temperatures show a 1/r dependence in agreement with previous linearized approximations. With a standard state of solute corresponding to a mean concentration, c 0, the relevant interaction energy expression presented in this work is valid when extended to large concentrations for which Henry's Law and Vegard's Law do not apply.« less

A New Paradigm for Designing High-Fracture-Energy Steels

NASA Astrophysics Data System (ADS)

Fine, M. E.; Vaynman, S.; Isheim, D.; Chung, Y.-W.; Bhat, S. P.; Hahin, C. H.

2010-12-01

The steels used for structural and other applications ideally should have both high strength and high toughness. Most high-strength steels contain substantial carbon content that gives poor weldability and toughness. A theoretical study is presented that was inspired by the early work of Weertman on the effect that single or clusters of solute atoms with slightly different atom sizes have on dislocation configurations in metals. This is of particular interest for metals with high Peierls stress. Misfit centers that are coherent and coplanar in body-centered cubic (bcc) metals can provide sufficient twisting of nearby screw dislocations to reduce the Peierls stress locally and to give improved dislocation mobility and hence better toughness at low temperatures. Therefore, the theory predicts that such nanoscale misfit centers in low-carbon steels can give both precipitation hardening and improved ductility and fracture toughness. To explore the validity of this theory, we measured the Charpy impact fracture energy as a function of temperature for a series of low-carbon Cu-precipitation-strengthened steels. Results show that an addition of 0.94 to 1.49 wt pct Cu and other accompanying elements results in steels with high Charpy impact energies down to cryogenic temperatures (198 K [-75 °C]) with no distinct ductile-to-brittle transition. The addition of 0.1 wt pct Ti results in an additional increase in impact toughness, with Charpy impact fracture energies ranging from 358 J (machine limit) at 248 K (-25 °C) to almost 200 J at 198 K (-75 °C). Extending this concept of using coherent and coplanar misfit centers to decrease the Peierls stress locally to other than bcc iron-based systems suggests an intriguing possibility of developing ductile hexagonal close-packed alloys and intermetallics.

Dislocation nucleation facilitated by atomic segregation

DOE PAGES

Zou, Lianfeng; Yang, Chaoming; Lei, Yinkai; ...

2017-11-27

Surface segregation—the enrichment of one element at the surface, relative to the bulk—is ubiquitous to multi-component materials. Using the example of a Cu–Au solid solution, we demonstrate that compositional variations induced by surface segregation are accompanied by misfit strain and the formation of dislocations in the subsurface region via a surface di˙usion and trapping process. The resulting chemically ordered surface regions acts as an e˙ective barrier that inhibits subsequent dislocation annihilation at free surfaces. Using dynamic, atomic-scale resolution electron microscopy observations and theory modelling, we show that the dislocations are highly active, and we delineate the specific atomic-scale mechanisms associatedmore » with their nucleation, glide, climb, and annihilation at elevated temperatures. As a result, these observations provide mechanistic detail of how dislocations nucleate and migrate at heterointerfaces in dissimilar-material systems.« less

Effect of an in-situ thermal annealing on the structural properties of self-assembled GaSb/GaAs quantum dots

DOE PAGES

Fernandez-Delgado, N.; Herrera, M.; Chisholm, M. F.; ...

2016-04-22

The effect of the application of a thermal annealing on the structural properties of GaSb/GaAs quantum dots (QDs) is analyzed by aberration corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and electron energy loss spectroscopy (EELS). Our results show that the GaSb/GaAs QDs are more elongated after the annealing, and that the interfaces are less abrupt due to the Sb diffusion. We have also found a strong reduction in the misfit dislocation density with the annealing. The analysis by EELS of a threading dislocation has shown that the dislocation core is rich in Sb. In addition, the region ofmore » the GaAs substrate delimited by the threading dislocation is shown to be Sb-rich as well. An enhanced diffusion of Sb due to a mechanism assisted by the dislocation movement is discussed.« less

The origin of shear wave splitting beneath Iceland

NASA Astrophysics Data System (ADS)

Ito, Garrett; Dunn, Robert; Li, Aibing

2015-06-01

The origin of shear wave splitting (SWS) in the mantle beneath Iceland is examined using numerical models that simulate 3-D mantle flow and the development of seismic anisotropy due to lattice-preferred orientation (LPO). Using the simulated anisotropy structure, we compute synthetic SKS waveforms, invert them for fast polarization directions and split times, and then compare the predictions with the results from three observational studies of Iceland. Models that simulate a mantle plume interacting with the Mid-Atlantic Ridge in which the shallow-most mantle has a high viscosity due to the extraction of water with partial melting, or in which C-type olivine LPO fabric is present due to high water content in the plume, produce the largest chi-squared misfits to the SWS observations and are thus rejected. Models of a low-viscosity mantle plume with A-type olivine fabric everywhere, or with the added effects of E-type fabric in the plume below the solidus produce lower misfits. The lowest misfits are produced by models that include a rapid (˜50 km Myr-1) northward regional flow (NRF) in the mid-upper mantle, either with or without a plume. NRF was previously indicated by a receiver function study and a regional tomography study, and is shown here to be a major cause of the azimuthal anisotropy beneath Iceland. The smallest misfits for the models with both a plume and NRF are produced when LPO forms above depths of 300-400 km, which, by implication, also mark the depths above which dislocation creep dominates over diffusion creep. This depth of transition between dislocation and diffusion creep is greater than expected beneath normal oceanic seafloor, and is attributed to the unusually rapid strain rates associated with an Iceland plume and the NRF.

Recent Results from Epitaxial Growth on Step Free 4H-SiC Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Spry, David J.; Powell, J. Anthony; Du, Hui; Skowronski, Marek; Bassim, Nabil D.; Mastro, Michael A.; Twigg, Mark E.; Holm, Ronald T.;

The deformation twin in lamellar Ti 3Al/TiAl structure

NASA Astrophysics Data System (ADS)

Zhang, J. X.; Ye, H. Q.

2003-04-01

A Ti-48Al-2Cr (at.%) alloy consisting of γ+α 2 lamellar structure was deformed in compression at room temperature. Study by high resolution electron microscopy was carried out on the characteristic of induced γ T/α 2 interface. During deformation the γ T/α 2 interface presents a stepped structure and the γ/α 2 interface remains straight. The formation mechanism of γ T associated with misfit dislocations is proposed. 1/2[01 1¯] γ interfacial dislocation in the γ/α 2 interface can dissociate into a 1/6[ 1¯1 2¯] γ partial dislocation which glides on the ( 1¯11) γ plane and causes γ T to form.

Model for threading dislocations in metamorphic tandem solar cells on GaAs (001) substrates

NASA Astrophysics Data System (ADS)

Song, Yifei; Kujofsa, Tedi; Ayers, John E.

2018-02-01

We present an approximate model for the threading dislocations in III-V heterostructures and have applied this model to study the defect behavior in metamorphic triple-junction solar cells. This model represents a new approach in which the coefficient for second-order threading dislocation annihilation and coalescence reactions is considered to be determined by the length of misfit dislocations, LMD, in the structure, and we therefore refer to it as the LMD model. On the basis of this model we have compared the average threading dislocation densities in the active layers of triple junction solar cells using linearly-graded buffers of varying thicknesses as well as S-graded (complementary error function) buffers with varying thicknesses and standard deviation parameters. We have shown that the threading dislocation densities in the active regions of metamorphic tandem solar cells depend not only on the thicknesses of the buffer layers but on their compositional grading profiles. The use of S-graded buffer layers instead of linear buffers resulted in lower threading dislocation densities. Moreover, the threading dislocation densities depended strongly on the standard deviation parameters used in the S-graded buffers, with smaller values providing lower threading dislocation densities.

Threading Dislocations in InGaAs/GaAs (001) Buffer Layers for Metamorphic High Electron Mobility Transistors

NASA Astrophysics Data System (ADS)

Song, Yifei; Kujofsa, Tedi; Ayers, John E.

2018-07-01

In order to evaluate various buffer layers for metamorphic devices, threading dislocation densities have been calculated for uniform composition In x Ga1- x As device layers deposited on GaAs (001) substrates with an intermediate graded buffer layer using the L MD model, where L MD is the average length of misfit dislocations. On this basis, we compare the relative effectiveness of buffer layers with linear, exponential, and S-graded compositional profiles. In the case of a 2 μm thick buffer layer linear grading results in higher threading dislocation densities in the device layer compared to either exponential or S-grading. When exponential grading is used, lower threading dislocation densities are obtained with a smaller length constant. In the S-graded case, lower threading dislocation densities result when a smaller standard deviation parameter is used. As the buffer layer thickness is decreased from 2 μm to 0.1 μm all of the above effects are diminished, and the absolute threading dislocation densities increase.

Misfit strain driven cation inter-diffusion across an epitaxial multiferroic thin film interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sankara Rama Krishnan, P. S.; Munroe, Paul; Nagarajan, V.

Cation intermixing at functional oxide interfaces remains a highly controversial area directly relevant to interface-driven nanoelectronic device properties. Here, we systematically explore the cation intermixing in epitaxial (001) oriented multiferroic bismuth ferrite (BFO) grown on a (001) lanthanum aluminate (LAO) substrate. Aberration corrected dedicated scanning transmission electron microscopy and electron energy loss spectroscopy reveal that the interface is not chemically sharp, but with an intermixing of ∼2 nm. The driving force for this process is identified as misfit-driven elastic strain. Landau-Ginzburg-Devonshire-based phenomenological theory was combined with the Sheldon and Shenoy formula in order to understand the influence of boundary conditions andmore » depolarizing fields arising from misfit strain between the LAO substrate and BFO film. The theory predicts the presence of a strong potential gradient at the interface, which decays on moving into the bulk of the film. This potential gradient is significant enough to drive the cation migration across the interface, thereby mitigating the misfit strain. Our results offer new insights on how chemical roughening at oxide interfaces can be effective in stabilizing the structural integrity of the interface without the need for misfit dislocations. These findings offer a general formalism for understanding cation intermixing at highly strained oxide interfaces that are used in nanoelectronic devices.« less

Large Area and Depth-Profiling Dislocation Imaging and Strain Analysis in Si/SiGe/Si Heterostructures

DTIC Science & Technology

2014-01-01

of the defect trapping state ( Higgs & Kittler, 2441994), the temperature dependence of c is determined by the 245temperature dependence of lifetime...Lett 65(22), 2804–2806. 397KITTLER, M., ULHAQBOUILLET, C. & HIGGS , V. (1995). Influence of 398copper contamination on recombination activity of misfit

Semiconductor Film Grown on a Circular Substrate: Predictive Modeling of Lattice-Misfit Stresses

NASA Astrophysics Data System (ADS)

Suhir, E.; Nicolics, J.; Khatibi, G.; Lederer, M.

2016-03-01

An effective and physically meaningful analytical predictive model is developed for the evaluation the lattice-misfit stresses (LMS) in a semiconductor film grown on a circular substrate (wafer). The two-dimensional (plane-stress) theory-of-elasticity approximation (TEA) is employed in the analysis. The addressed stresses include the interfacial shearing stress, responsible for the occurrence and growth of dislocations, as well as for possible delaminations and the cohesive strength of a buffering material, if any. Normal radial and circumferential (tangential) stresses acting in the film cross-sections and responsible for its short- and long-term strength (fracture toughness) are also addressed. The analysis is geared to the GaN technology.

A new orientation relationship between cementite and austenite and coexistence of pseudo-primary and secondary dislocations in the habit plane

NASA Astrophysics Data System (ADS)

Xu, Wen-Sheng; Zhang, Wen-Zheng

2018-01-01

A new orientation relationship (OR) is found between Widmanstätten cementite precipitates and the austenite matrix in a 1.3C-14Mn steel. The associated habit plane (HP) and the dislocations in the HP have been investigated with transmission electron microscopy. The HP is parallel to ? in cementite, and it is parallel to ? in austenite. Three groups of interfacial dislocations are observed in the HP, with limited quantitative experimental data. The line directions, the spacing and the Burgers vectors of two sets of dislocations have been calculated based on a misfit analysis, which combines the CSL/DSC/O-lattice theories, row matching and good matching site (GMS) mappings. The calculated results are in reasonable agreement with the experimental results. The dislocations 'Coarse 1' and 'Fine 1' are in the same direction as the matching rows, i.e. ?. 'Coarse 1' dislocations are secondary dislocations with a Burgers vector of ?, and 'Fine 1' dislocations are pseudo-primary dislocations with a plausible Burgers vector of ?. The reason why the fraction of the new OR is much less than that of the dominant Pitsch OR has been discussed in terms of the degree of matching in the HPs.

Self-assembled InN quantum dots on side facets of GaN nanowires

NASA Astrophysics Data System (ADS)

Bi, Zhaoxia; Ek, Martin; Stankevic, Tomas; Colvin, Jovana; Hjort, Martin; Lindgren, David; Lenrick, Filip; Johansson, Jonas; Wallenberg, L. Reine; Timm, Rainer; Feidenhans'l, Robert; Mikkelsen, Anders; Borgström, Magnus T.; Gustafsson, Anders; Ohlsson, B. Jonas; Monemar, Bo; Samuelson, Lars

2018-04-01

Self-assembled, atomic diffusion controlled growth of InN quantum dots was realized on the side facets of dislocation-free and c-oriented GaN nanowires having a hexagonal cross-section. The nanowires were synthesized by selective area metal organic vapor phase epitaxy. A 3 Å thick InN wetting layer was observed after growth, on top of which the InN quantum dots formed, indicating self-assembly in the Stranski-Krastanow growth mode. We found that the InN quantum dots can be tuned to nucleate either preferentially at the edges between GaN nanowire side facets, or directly on the side facets by tuning the adatom migration by controlling the precursor supersaturation and growth temperature. Structural characterization by transmission electron microscopy and reciprocal space mapping show that the InN quantum dots are close to be fully relaxed (residual strain below 1%) and that the c-planes of the InN quantum dots are tilted with respect to the GaN core. The strain relaxes mainly by the formation of misfit dislocations, observed with a periodicity of 3.2 nm at the InN and GaN hetero-interface. The misfit dislocations introduce I1 type stacking faults (…ABABCBC…) in the InN quantum dots. Photoluminescence investigations of the InN quantum dots show that the emissions shift to higher energy with reduced quantum dot size, which we attribute to increased quantum confinement.

Nucleation mechanisms of epitaxial GaN nanowires: Origin of their self-induced formation and initial radius

NASA Astrophysics Data System (ADS)

Consonni, V.; Knelangen, M.; Geelhaar, L.; Trampert, A.; Riechert, H.

2010-02-01

The formation mechanisms of epitaxial GaN nanowires grown within a self-induced approach by molecular-beam epitaxy have been investigated at the onset of the nucleation process by combining in situ reflection high-energy electron-diffraction measurements and ex situ high-resolution transmission electron microscopy imaging. It is shown that the self-induced growth of GaN nanowires on the AlN buffer layer is initially governed by the nucleation of dislocation-free coherent islands. These coherent islands develop through a series of shape transitions from spherical caps through truncated to full pyramids in order to elastically relieve the lattice-mismatch-induced strain. A strong correlation between the subsequent process of plastic relaxation and the final shape transition from full pyramids toward the very first nanowires is found. The experimental critical radius at which the misfit dislocation nucleates is in very good agreement with the theoretical critical radius for the formation of the misfit dislocation in full pyramids, showing that the plastic relaxation process does take place within full pyramids: this critical size corresponds to the initial radius of the very first nanowires. We associate the plastic relaxation of the lattice-mismatch-induced strain occurring within full pyramids with a drastic change in their total free energy: this gives rise to a driving force for the shape transition toward the very first nanowires, which is mainly due to the anisotropy of surface energy.

Imaging the in-plane distribution of helium precipitates at a Cu/V interface

DOE PAGES

Chen, Di; Li, Nan; Yuryev, Dina; ...

2017-02-15

Here, we describe a transmission electron microscopy investigation of the distribution of helium precipitates within the plane of an interface between Cu and V. Statistical analysis of precipitate locations reveals a weak tendency for interfacial precipitates to align alongmore » $$\\langle$$110$$\\rangle$$-type crystallographic directions within the Cu layer. Comparison of these findings with helium-free Cu/V interfaces suggests that the precipitates may be aggregating preferentially along atomic-size steps in the interface created by threading dislocations in the Cu layer. Our observations also suggest that some precipitates may be aggregating along intersections between interfacial misfit dislocations.« less

Dislocation-driven growth of two-dimensional lateral quantum-well superlattices

PubMed Central

Chen, Jianyi; Li, Dongdong

2018-01-01

The advent of two-dimensional (2D) materials has led to extensive studies of heterostructures for novel applications. 2D lateral multiheterojunctions and superlattices have been recently demonstrated, but the available growth methods can only produce features with widths in the micrometer or, at best, 100-nm scale and usually result in rough and defective interfaces with extensive chemical intermixing. Widths smaller than 5 nm, which are needed for quantum confinement effects and quantum-well applications, have not been achieved. We demonstrate the growth of sub–2-nm quantum-well arrays in semiconductor monolayers, driven by the climb of misfit dislocations in a lattice-mismatched sulfide/selenide heterointerface. Density functional theory calculations provide an atom-by-atom description of the growth mechanism. The calculated energy bands reveal type II alignment suitable for quantum wells, suggesting that the structure could, in principle, be turned into a “conduit” of conductive nanoribbons for interconnects in future 2D integrated circuits via n-type modulation doping. This misfit dislocation–driven growth can be applied to different combinations of 2D monolayers with lattice mismatch, paving the way to a wide range of 2D quantum-well superlattices with controllable band alignment and nanoscale width. PMID:29740600

Method for reducing or eliminating interface defects in mismatched semiconductor epilayers

DOEpatents

Fitzgerald, Jr., Eugene A.; Ast, Dieter G.

1992-01-01

The present invention and process relates to crystal lattice mismatched semiconductor composite having a first semiconductor layer and a second semiconductor growth layer deposited thereon to form an interface wherein the growth layer can be deposited at thicknesses in excess of the critical thickness, even up to about 10.times. critical thickness. Such composite has an interface which is substantially free of interface defects. For example, the size of the growth areas in a mismatched In.sub.0.05 Ga.sub.0.95 As/(001)GaAs interface was controlled by fabricating 2-.mu.m high pillars of various lateral geometries and lateral dimensions before the epitaxial deposition of 3500.ANG. of In.sub.0.05 Ga.sub.0.95 As. The linear dislocation density at the interface was reduced from >5000 dislocations/cm to about zero for 25-.mu.m lateral dimensions and to less than 800 dislocations/cm for lateral dimensions as large as 100 .mu.m. The fabricated pillars control the lateral dimensions of the growth layer and block the glide of misfit dislocations with the resultant decrease in dislocation density.

Method for reducing or eliminating interface defects in mismatched semiconductor eiplayers

DOEpatents

Fitzgerald, Jr., Eugene A.; Ast, Dieter G.

1991-01-01

The present invention and process relates to crystal lattice mismatched semiconductor composite having a first semiconductor layer and a second semiconductor growth layer deposited thereon to form an interface wherein the growth layer can be deposited at thicknesses in excess of the critical thickness, even up to about 10x critical thickness. Such composite has an interface which is substantially free of interface defects. For example, the size of the growth areas in a mismatched In.sub.0.05 Ga.sub.0.95 As/(001)GaAs interface was controlled by fabricating 2-.mu.m high pillars of various lateral geometries and lateral dimensions before the epitaxial deposition of 3500.ANG. of In.sub.0.05 Ga.sub.0.95 As. The linear dislocation density at the interface was reduced from >5000 dislocations/cm to about zero for 25-.mu.m lateral dimensions and to less than 800 dislocations/cm for lateral dimensions as large as 100 .mu.m. The fabricated pillars control the lateral dimensions of the growth layer and block the glide of misfit dislocations with the resultant decrease in dislocation density.

Method for reducing or eliminating interface defects in mismatched semiconductor epilayers

DOEpatents

Fitzgerald, E.A. Jr.; Ast, D.G.

1992-10-20

The present invention and process relates to crystal lattice mismatched semiconductor composite having a first semiconductor layer and a second semiconductor growth layer deposited thereon to form an interface wherein the growth layer can be deposited at thicknesses in excess of the critical thickness, even up to about 10[times] critical thickness. Such composite has an interface which is substantially free of interface defects. For example, the size of the growth areas in a mismatched In[sub 0.05]Ga[sub 0.95]As/(001)GaAs interface was controlled by fabricating 2-[mu]m high pillars of various lateral geometries and lateral dimensions before the epitaxial deposition of 3500 [angstrom] of In[sub 0.05]Ga[sub 0.95]As. The linear dislocation density at the interface was reduced from >5000 dislocations/cm to about zero for 25-[mu]m lateral dimensions and to less than 800 dislocations/cm for lateral dimensions as large as 100 [mu]m. The fabricated pillars control the lateral dimensions of the growth layer and block the glide of misfit dislocations with the resultant decrease in dislocation density. 7 figs.

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

DOE PAGES

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; ...

2016-06-15

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. In this study, we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO 3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generatedmore » in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. In conclusion, this work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates.« less

Strain-relief by single dislocation loops in calcite crystals grown on self-assembled monolayers

PubMed Central

Ihli, Johannes; Clark, Jesse N.; Côté, Alexander S.; Kim, Yi-Yeoun; Schenk, Anna S.; Kulak, Alexander N.; Comyn, Timothy P.; Chammas, Oliver; Harder, Ross J.; Duffy, Dorothy M.; Robinson, Ian K.; Meldrum, Fiona C.

2016-01-01

Most of our knowledge of dislocation-mediated stress relaxation during epitaxial crystal growth comes from the study of inorganic heterostructures. Here we use Bragg coherent diffraction imaging to investigate a contrasting system, the epitaxial growth of calcite (CaCO3) crystals on organic self-assembled monolayers, where these are widely used as a model for biomineralization processes. The calcite crystals are imaged to simultaneously visualize the crystal morphology and internal strain fields. Our data reveal that each crystal possesses a single dislocation loop that occupies a common position in every crystal. The loops exhibit entirely different geometries to misfit dislocations generated in conventional epitaxial thin films and are suggested to form in response to the stress field, arising from interfacial defects and the nanoscale roughness of the substrate. This work provides unique insight into how self-assembled monolayers control the growth of inorganic crystals and demonstrates important differences as compared with inorganic substrates. PMID:27302863

Stress generated modifications of epitaxial ferroelectric SrTiO3 films on sapphire

NASA Astrophysics Data System (ADS)

Hollmann, E.; Schubert, J.; Kutzner, R.; Wördenweber, R.

2009-06-01

The effect of lattice-mismatch induced stress upon the crystallographic structure, strain, strain relaxation, and the generation of different types of defects in heteroepitaxially grown SrTiO3 films on CeO2 buffered sapphire is examined. Depending on the thickness of the SrTiO3 layer, characteristic changes in the structural perfection of the layers, their crystallographic orientation with respect to the substrate system, and their strain is observed. For thin films misfit dislocations partially compensate the stress in the SrTiO3 layer, whereas cracks develop in thicker SrTiO3 films. The cracks are orientated along two predominant crystallographic orientations of the sapphire. The structural modifications and the formation of misfit defects and cracks are explained in a model based on lattice misfit induced stress, on the one hand, and energy considerations taking into account the stress release due to crack formation and the energy necessary for the formation of new surfaces at the crack, on the other hand. The impact of lattice misfit is discussed in two steps, i.e., intrinsic and thermal induced misfits during heteroepitaxial film growth at a given temperature and the subsequent cooling of the sample, respectively. The comparison of the theoretical predictions and the experimental observations demonstrate that intrinsic mismatch and thermal mismatch have to be considered in order to explain strain dependent effects in complex heteroepitaxial layer systems such as induced ferroelectricity of SrTiO3 on sapphire.

Understanding misfit strain releasing mechanisms via molecular dynamics simulations of CdTe growth on {112}zinc-blende CdS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Xiaowang; Chavez, Jose J.; Almeida, Sergio F.

Molecular dynamics simulations have been used to analyse microstructures of CdTe films grown on {112} surfaces of zinc-blende CdS. Interestingly, CdTe films grow in <331> orientations as opposed to <112> epitaxial orientations. At the CdTe-{331}/CdS-{112} interface, however, there exists an axis that is parallel to the <110> orientation of both CdS and CdTe. It is the direction orthogonal to this <110> that becomes different, being <116> for CdTe and <111> for CdS, respectively. Missing CdTe-{110} planes are found along the <110> axis, suggesting that the misfit strain is released by the conventional misfit dislocation mechanism along this axis. In themore » orthogonal axis, the misfit strain is found to be more effectively released by the new grain orientation mechanism. Our finding is supported by literature experimental observations of the change of growth direction when Cd 0.96Zn 0.04Te films are deposited on GaAs. Lastly the analyses of energetics clearly demonstrate the cause for the formation of the new orientation, and the insights gained from our studies can help understand the grain structures experimentally observed in lattice mismatched systems.« less

Understanding misfit strain releasing mechanisms via molecular dynamics simulations of CdTe growth on {112}zinc-blende CdS

DOE PAGES

Zhou, Xiaowang; Chavez, Jose J.; Almeida, Sergio F.; ...

2016-07-25

Molecular dynamics simulations have been used to analyse microstructures of CdTe films grown on {112} surfaces of zinc-blende CdS. Interestingly, CdTe films grow in <331> orientations as opposed to <112> epitaxial orientations. At the CdTe-{331}/CdS-{112} interface, however, there exists an axis that is parallel to the <110> orientation of both CdS and CdTe. It is the direction orthogonal to this <110> that becomes different, being <116> for CdTe and <111> for CdS, respectively. Missing CdTe-{110} planes are found along the <110> axis, suggesting that the misfit strain is released by the conventional misfit dislocation mechanism along this axis. In themore » orthogonal axis, the misfit strain is found to be more effectively released by the new grain orientation mechanism. Our finding is supported by literature experimental observations of the change of growth direction when Cd 0.96Zn 0.04Te films are deposited on GaAs. Lastly the analyses of energetics clearly demonstrate the cause for the formation of the new orientation, and the insights gained from our studies can help understand the grain structures experimentally observed in lattice mismatched systems.« less

Epitaxial relationship of semipolar s-plane (1101) InN grown on r-plane sapphire

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dimitrakopulos, G. P.

2012-07-02

The heteroepitaxy of semipolar s-plane (1101) InN grown directly on r-plane sapphire by plasma-assisted molecular beam epitaxy is studied using transmission electron microscopy techniques. The epitaxial relationship is determined to be (1101){sub InN} Parallel-To (1102){sub Al{sub 2O{sub 3}}}, [1120]{sub InN} Parallel-To [2021]{sub Al{sub 2O{sub 3}}}, [1102]{sub InN}{approx} Parallel-To [0221]{sub Al{sub 2O{sub 3}}}, which ensures a 0.7% misfit along [1120]{sub InN}. Two orientation variants are identified. Proposed geometrical factors contributing to the high density of basal stacking faults, partial dislocations, and sphalerite cubic pockets include the misfit accommodation and reduction, as well as the accommodation of lattice twist.

Compositionally graded relaxed AlGaN buffers on semipolar GaN for mid-ultraviolet emission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Young, Erin C.; Wu Feng; Haeger, Daniel A.

In this Letter, we report on the growth and properties of relaxed, compositionally graded Al{sub x}Ga{sub 1-x}N buffer layers on freestanding semipolar (2021) GaN substrates. Continuous and step compositional grades with Al concentrations up to x = 0.61 have been achieved, with emission wavelengths in the mid-ultraviolet region as low as 265 nm. Coherency stresses were relaxed progressively throughout the grades by misfit dislocation generation via primary (basal) slip and secondary (non-basal) slip systems. Threading dislocation densities in the final layers of the grades were less than 10{sup 6}/cm{sup 2} as confirmed by plan-view transmission electron microscopy and cathodoluminescence studies.

Compositionally graded relaxed AlGaN buffers on semipolar GaN for mid-ultraviolet emission

NASA Astrophysics Data System (ADS)

Young, Erin C.; Wu, Feng; Romanov, Alexey E.; Haeger, Daniel A.; Nakamura, Shuji; Denbaars, Steven P.; Cohen, Daniel A.; Speck, James S.

2012-10-01

In this Letter, we report on the growth and properties of relaxed, compositionally graded AlxGa1 - xN buffer layers on freestanding semipolar (202¯1) GaN substrates. Continuous and step compositional grades with Al concentrations up to x = 0.61 have been achieved, with emission wavelengths in the mid-ultraviolet region as low as 265 nm. Coherency stresses were relaxed progressively throughout the grades by misfit dislocation generation via primary (basal) slip and secondary (non-basal) slip systems. Threading dislocation densities in the final layers of the grades were less than 106/cm2 as confirmed by plan-view transmission electron microscopy and cathodoluminescence studies.

Demonstrating antiphase domain boundary-free GaAs buffer layer on zero off-cut Si (0 0 1) substrate for interfacial misfit dislocation GaSb film by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Ha, Minh Thien Huu; Hoang Huynh, Sa; Binh Do, Huy; Nguyen, Tuan Anh; Luc, Quang Ho; Chang, Edward Yi

2017-08-01

High quality 40 nm GaSb thin film was grown on the zero off-cut Si (0 0 1)-oriented substrate using metalorganic chemical vapor deposition with the temperature-graded GaAs buffer layer. The growth time of the GaAs nucleation layer, which was deposited at a low temperature of 490 °C, is systematically investigated in this paper. Cross-sections of the high resolution transmission electron microscopy images indicate that the GaAs compound formed 3D-islands first before to quasi-2D islands, and finally formed uniform GaAs layer. The optimum thickness of the 490 °C-GaAs layer was found to be 10 nm to suppress the formation of antiphase domain boundaries (APDs). The thin GaAs nucleation layer had a root-mean-square surface roughness of 0.483 nm. This allows the continued high temperature GaAs buffer layer to be achieved with low threading dislocation density of around 7.1  ×  106 cm-2 and almost invisible APDs. Finally, a fully relaxed GaSb film was grown on the top of the GaAs/Si heterostructure using interfacial misfit dislocation growth mode. These results indicate that the GaSb epitaxial layer can be grown on Si substrate with GaAs buffer layer for future p-channel metal-oxide-semiconductor field effect transistors (MOSFETs) applications.

Modeling elasticity in crystal growth.

PubMed

Elder, K R; Katakowski, Mark; Haataja, Mikko; Grant, Martin

2002-06-17

A new model of crystal growth is presented that describes the phenomena on atomic length and diffusive time scales. The former incorporates elastic and plastic deformation in a natural manner, and the latter enables access to time scales much larger than conventional atomic methods. The model is shown to be consistent with the predictions of Read and Shockley for grain boundary energy, and Matthews and Blakeslee for misfit dislocations in epitaxial growth.

Dislocation-driven growth of two-dimensional lateral quantum-well superlattices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Wu; Zhang, Yu -Yang; Chen, Jianyi

Here, the advent of two-dimensional (2D) materials has led to extensive studies of heterostructures for novel applications. 2D lateral multiheterojunctions and superlattices have been recently demonstrated, but the available growth methods can only produce features with widths in the micrometer or, at best, 100-nm scale and usually result in rough and defective interfaces with extensive chemical intermixing. Widths smaller than 5 nm, which are needed for quantum confinement effects and quantum-well applications, have not been achieved. We demonstrate the growth of sub–2-nm quantum-well arrays in semiconductor monolayers, driven by the climb of misfit dislocations in a lattice-mismatched sulfide/selenide heterointerface. Densitymore » functional theory calculations provide an atom-by-atom description of the growth mechanism. The calculated energy bands reveal type II alignment suitable for quantum wells, suggesting that the structure could, in principle, be turned into a “conduit” of conductive nanoribbons for interconnects in future 2D integrated circuits via n-type modulation doping. This misfit dislocation–driven growth can be applied to different combinations of 2D monolayers with lattice mismatch, paving the way to a wide range of 2D quantum-well superlattices with controllable band alignment and nanoscale width.« less

Dislocation-driven growth of two-dimensional lateral quantum-well superlattices

DOE PAGES

Zhou, Wu; Zhang, Yu -Yang; Chen, Jianyi; ...

2018-03-23

Here, the advent of two-dimensional (2D) materials has led to extensive studies of heterostructures for novel applications. 2D lateral multiheterojunctions and superlattices have been recently demonstrated, but the available growth methods can only produce features with widths in the micrometer or, at best, 100-nm scale and usually result in rough and defective interfaces with extensive chemical intermixing. Widths smaller than 5 nm, which are needed for quantum confinement effects and quantum-well applications, have not been achieved. We demonstrate the growth of sub–2-nm quantum-well arrays in semiconductor monolayers, driven by the climb of misfit dislocations in a lattice-mismatched sulfide/selenide heterointerface. Densitymore » functional theory calculations provide an atom-by-atom description of the growth mechanism. The calculated energy bands reveal type II alignment suitable for quantum wells, suggesting that the structure could, in principle, be turned into a “conduit” of conductive nanoribbons for interconnects in future 2D integrated circuits via n-type modulation doping. This misfit dislocation–driven growth can be applied to different combinations of 2D monolayers with lattice mismatch, paving the way to a wide range of 2D quantum-well superlattices with controllable band alignment and nanoscale width.« less

Characterization of a gate-defined double quantum dot in a Si/SiGe nanomembrane

NASA Astrophysics Data System (ADS)

Knapp, T. J.; Mohr, R. T.; Li, Yize Stephanie; Thorgrimsson, Brandur; Foote, Ryan H.; Wu, Xian; Ward, Daniel R.; Savage, D. E.; Lagally, M. G.; Friesen, Mark; Coppersmith, S. N.; Eriksson, M. A.

We report the characterization of a gate-defined double quantum dot formed in a Si/SiGe nanomembrane. Previously, all heterostructures used to form quantum dots were created using the strain-grading method of strain relaxation, a method that necessarily introduces misfit dislocations into a heterostructure and thereby degrades the reproducibility of quantum devices. Using a SiGe nanomembrane as a virtual substrate eliminates the need for misfit dislocations but requires a wet-transfer process that results in a non-epitaxial interface in close proximity to the quantum dots. We show that this interface does not prevent the formation of quantum dots, and is compatible with a tunable inter-dot tunnel coupling, the identification of spin states, and the measurement of a singlet-to-triplet transition as a function of the applied magnetic field. This work was supported in part by ARO (W911NF-12-0607), NSF (DMR-1206915, PHY-1104660), and the United States Department of Defense. The views and conclusions contained in this document are those of the author and should not be interpreted as representing the official policies, either expressly or implied, of the US Government. T.J. Knapp et al. (2015). arXiv:1510.08888 [cond-mat.mes-hall].

Change in equilibrium position of misfit dislocations at the GaN/sapphire interface by Si-ion implantation into sapphire—I. Microstructural characterization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Sung Bo, E-mail: bolee@snu.ac.kr; Han, Heung Nam, E-mail: hnhan@snu.ac.kr; Lee, Dong Nyung

Much research has been done to reduce dislocation densities for the growth of GaN on sapphire, but has paid little attention to the elastic behavior at the GaN/sapphire interface. In this study, we have examined effects of the addition of Si to a sapphire substrate on its elastic property and on the growth of GaN deposit. Si atoms are added to a c-plane sapphire substrate by ion implantation. The ion implantation results in scratches on the surface, and concomitantly, inhomogeneous distribution of Si. The scratch regions contain a higher concentration of Si than other regions of the sapphire substrate surface,more » high-temperature GaN being poorly grown there. However, high-temperature GaN is normally grown in the other regions. The GaN overlayer in the normally-grown regions is observed to have a lower TD density than the deposit on the bare sapphire substrate (with no Si accommodated). As compared with the film on an untreated, bare sapphire, the cathodoluminescence defect density decreases by 60 % for the GaN layer normally deposited on the Si-ion implanted sapphire. As confirmed by a strain mapping technique by transmission electron microscopy (geometric phase analysis), the addition of Si in the normally deposited regions forms a surface layer in the sapphire elastically more compliant than the GaN overlayer. The results suggest that the layer can largely absorb the misfit strain at the interface, which produces the overlayer with a lower defect density. Our results highlight a direct correlation between threading-dislocation density in GaN deposits and the elastic behavior at the GaN/sapphire interface, opening up a new pathway to reduce threading-dislocation density in GaN deposits.« less

Dislocation gliding and cross-hatch morphology formation in AIII-BV epitaxial heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovalskiy, V. A., E-mail: kovalva@iptm.ru; Vergeles, P. S.; Eremenko, V. G.

2014-12-08

An approach for understanding the origin of cross-hatch pattern (CHP) on the surface of lattice mismatched GaMnAs/InGaAs samples grown on GaAs (001) substrates is developed. It is argued that the motion of threading dislocations in the (111) slip planes during the relaxation of InGaAs buffer layer is more complicated process and its features are similar to the ones of dislocation half-loops gliding in plastically deformed crystals. The heterostructures were characterized by atomic force microscopy and electron beam induced current (EBIC). Detailed EBIC experiments revealed contrast features, which cannot be accounted for by the electrical activity of misfit dislocations at themore » buffer/substrate interface. We attribute these features to specific extended defects (EDs) generated by moving threading dislocations in the partially relaxed InGaAs layers. We believe that the core topology, surface reconstruction, and elastic strains from these EDs accommodated in slip planes play an important role in the CHP formation. The study of such electrically active EDs will allow further understanding of degradation and changes in characteristics of quantum devices based on strained heterostructures.« less

Microstructural evaluation of strained multilayer InAsSb/InSb infrared detectors by transmission electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chadda, S.; Datye, A.; Dawson, L.R.

InSb/InAsSb strained layer superlattices (SLS) were grown on (001) InSb substrates by molecular beam epitaxy at 425 [degree]C. The active device consisted of an InAs[sub 0.15]Sb[sub 0.85]/InSb superlattice region embedded within a [ital p]-[ital i]-[ital n] junction. The large lattice mismatch between the active device and the substrate required the growth of a buffer. InAs[sub 0.15]Sb[sub 0.85]/InSb SLS, where the average As content was gradually increased, was used as a buffer. The buffer structure was varied to probe its microstructural effect on the capping device. Three distinct approaches (A, B, and C) were used to grow the buffer. Approach Amore » was a four-step buffer where the average content of As in the superlattice was increased in four equal composition steps. This approach led to a crystal with an extensive network of threading dislocations and microcracks. Approach B was to change the average composition in five equal composition steps, thereby decreasing the misfit at the interfaces between composition steps. This led to a decrease in the threading dislocation density but microscopic cracks were still evident. The last approach (C) was to employ migration enhanced epitaxy (MEE) for the growth of the five-step buffer. Samples grown by employing MEE revealed no microcracks but they contained a high density of unusual wiggly'' dislocations at the buffer/device interface. Detailed microstructural analysis by transmission electron microscopy is presented.« less

Structural evaluation of InAsP/InGaAsP strained-layer superlattices with dislocations as grown by metal-organic molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Nakashima, Kiichi; Sugiura, Hideo

1997-08-01

The relaxation process in InAsP/InGaAsP strained-layer superlattices (SLSs) with interfacial misfit dislocations has been investigated systematically by transmission electron microscopy (TEM) and x-ray analyses. The TEM analysis reveals that dislocations locate a little inside the buffer layer near the interface between the buffer and first well layer in the SLS. The x-ray analysis of (400) azimuthal angle dependence indicates the buffer layer has a large macroscopic tilt. Using a curve fitting analysis of various (hkl) x-ray profiles and reciprocal lattice mapping measurements, residual strain was determined quantitatively, i.e., Δa∥ and Δa⊥, in the SLS and buffer layer. These results reveal that the dislocations mainly cause lattice distortion of the buffer layer rather than relaxation of the SLS layer. The most remarkable result is that the change of a∥ is not equal to that of a⊥ in the buffer layer. This phenomenon strongly suggests that microplastic domains are generated in the buffer layer.

Tailoring the strain in Si nano-structures for defect-free epitaxial Ge over growth.

PubMed

Zaumseil, P; Yamamoto, Y; Schubert, M A; Capellini, G; Skibitzki, O; Zoellner, M H; Schroeder, T

2015-09-04

We investigate the structural properties and strain state of Ge nano-structures selectively grown on Si pillars of about 60 nm diameter with different SiGe buffer layers. A matrix of TEOS SiO2 surrounding the Si nano-pillars causes a tensile strain in the top part at the growth temperature of the buffer that reduces the misfit and supports defect-free initial growth. Elastic relaxation plays the dominant role in the further increase of the buffer thickness and subsequent Ge deposition. This method leads to Ge nanostructures on Si that are free from misfit dislocations and other structural defects, which is not the case for direct Ge deposition on these pillar structures. The Ge content of the SiGe buffer is thereby not a critical parameter; it may vary over a relatively wide range.

A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

DOE PAGES

Zeng, Y.; Hunter, A.; Beyerlein, I. J.; ...

2015-09-14

In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τ crit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τ crit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results showmore » that the value of τ crit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τ crit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τ crit values.« less

Control of metamorphic buffer structure and device performance of In(x)Ga(1-x)As epitaxial layers fabricated by metal organic chemical vapor deposition.

PubMed

Nguyen, H Q; Yu, H W; Luc, Q H; Tang, Y Z; Phan, V T H; Hsu, C H; Chang, E Y; Tseng, Y C

2014-12-05

Using a step-graded (SG) buffer structure via metal-organic chemical vapor deposition, we demonstrate a high suitability of In0.5Ga0.5As epitaxial layers on a GaAs substrate for electronic device application. Taking advantage of the technique's precise control, we were able to increase the number of SG layers to achieve a fairly low dislocation density (∼10(6) cm(-2)), while keeping each individual SG layer slightly exceeding the critical thickness (∼80 nm) for strain relaxation. This met the demanded but contradictory requirements, and even offered excellent scalability by lowering the whole buffer structure down to 2.3 μm. This scalability overwhelmingly excels the forefront studies. The effects of the SG misfit strain on the crystal quality and surface morphology of In0.5Ga0.5As epitaxial layers were carefully investigated, and were correlated to threading dislocation (TD) blocking mechanisms. From microstructural analyses, TDs can be blocked effectively through self-annihilation reactions, or hindered randomly by misfit dislocation mechanisms. Growth conditions for avoiding phase separation were also explored and identified. The buffer-improved, high-quality In0.5Ga0.5As epitaxial layers enabled a high-performance, metal-oxide-semiconductor capacitor on a GaAs substrate. The devices displayed remarkable capacitance-voltage responses with small frequency dispersion. A promising interface trap density of 3 × 10(12) eV(-1) cm(-2) in a conductance test was also obtained. These electrical performances are competitive to those using lattice-coherent but pricey InGaAs/InP systems.

Proposition of a model elucidating the AlN-on-Si (111) microstructure

NASA Astrophysics Data System (ADS)

Mante, N.; Rennesson, S.; Frayssinet, E.; Largeau, L.; Semond, F.; Rouvière, J. L.; Feuillet, G.; Vennéguès, P.

2018-06-01

AlN-on-Si can be considered as a model system for heteroepitaxial growth of highly mismatched materials. Indeed, AlN and Si drastically differ in terms of chemistry, crystalline structure, and lattice parameters. In this paper, we present a transmission electron microscopy and grazing incidence X-ray diffraction study of the microstructure of AlN layers epitaxially grown on Si (111) by molecular beam epitaxy. The large interfacial energy due to the dissimilarities between AlN and Si results in a 3D Volmer-Weber growth mode with the nucleation of independent and relaxed AlN islands. Despite a well-defined epitaxial relationship, these islands exhibit in-plane misorientations up to 6°-7°. We propose a model which quantitatively explains these misorientations by taking into account the relaxation of the islands through the introduction of 60° a-type misfit dislocations. Threading dislocations (TDs) are formed to compensate these misorientations when islands coalesce. TD density depends on two parameters: the islands' misorientation and density. We show that the former is related to the mismatch between AlN and Si, while the latter depends on the growth parameters. A large decrease in TD density occurs during the 3D growth stage by overlap and overgrowth of highly misoriented islands. On the other hand, the TD density does not change significantly when the growth becomes 2D. The proposed model, explaining the misorientations of 3D-grown islands, may be extended to other (0001)-oriented III-nitrides and more generally to any heteroepitaxial system exhibiting a 3D Volmer-Weber growth mode with islands relaxed thanks to the introduction of mixed-type misfit dislocations.

Strain Relaxation in Si{sub 1-x}Ge{sub x} Thin Films on Si(100) Substrates: Modeling and Comparisons with Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolluri, K; Zepeda-Ruiz, L A; Murthy, C S

2005-03-22

Strained semiconductor thin films grown epitaxially on semiconductor substrates of different composition, such as Si{sub 1-x}Ge{sub x}/Si, are becoming increasingly important in modern microelectronic technologies. In this paper, we report a hierarchical computational approach for analysis of dislocation formation, glide motion, multiplication, and annihilation in Si{sub 1-x}Ge{sub x} epitaxial thin films on Si substrates. Specifically, a condition is developed for determining the critical film thickness with respect to misfit dislocation generation as a function of overall film composition, film compositional grading, and (compliant) substrate thickness. In addition, the kinetics of strain relaxation in the epitaxial film during growth or thermalmore » annealing (including post-implantation annealing) is analyzed using a properly parameterized dislocation mean-field theoretical model, which describes plastic deformation dynamics due to threading dislocation propagation. The theoretical results for Si{sub 1-x}Ge{sub x} epitaxial thin films grown on Si (100) substrates are compared with experimental measurements and are used to discuss film growth and thermal processing protocols toward optimizing the mechanical response of the epitaxial film.« less

Epitaxial Growth of Cubic Crystalline Semiconductor Alloys on Basal Plane of Trigonal or Hexagonal Crystal

NASA Technical Reports Server (NTRS)

Park, Yeonjoon (Inventor); Choi, Sang H. (Inventor); King, Glen C. (Inventor)

2011-01-01

Hetero-epitaxial semiconductor materials comprising cubic crystalline semiconductor alloys grown on the basal plane of trigonal and hexagonal substrates, in which misfit dislocations are reduced by approximate lattice matching of the cubic crystal structure to underlying trigonal or hexagonal substrate structure, enabling the development of alloyed semiconductor layers of greater thickness, resulting in a new class of semiconductor materials and corresponding devices, including improved hetero-bipolar and high-electron mobility transistors, and high-mobility thermoelectric devices.

Growth and characterization of InSb on (1 0 0) Si for mid-infrared application

NASA Astrophysics Data System (ADS)

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai; Wicaksono, Satrio; Yoon, Soon Fatt

2018-05-01

Monolithic integration of InSb on (1 0 0) Si is a practical approach to realizing on-chip mid-infrared photonic devices. An InSb layer was grown on a (1 0 0) Si substrate using an AlSb/GaSb buffer containing InSb quantum dots (QDs). The growth process for the buffer involved the growth of GaSb on Si using an interfacial misfit array, followed by InSb QDs on AlSb to decrease the density of microtwins. InSb layers were separately grown on AlSb and GaSb surfaces to compare the effect of different interfacial misfit arrays. The samples were characterized using transmission electron microscopy and X-ray diffraction to determine the structural properties of the buffer and InSb layers. The InSb on the AlSb sample exhibited higher crystal quality than the InSb on GaSb sample due to a more favorable arrangement of interfacial misfit dislocations. Hall measurements of unintentionally doped InSb layers demonstrated a higher carrier mobility in the InSb on the AlSb sample than in InSb on GaSb. Growing InSb on AlSb also improved the photoresponsivity of InSb as a photoconductor on Si.

Characterization of SiGe thin films using a laboratory X-ray instrument

PubMed Central

Ulyanenkova, Tatjana; Myronov, Maksym; Benediktovitch, Andrei; Mikhalychev, Alexander; Halpin, John; Ulyanenkov, Alex

2013-01-01

The technique of reciprocal space mapping using X-rays is a recognized tool for the nondestructive characterization of epitaxial films. X-ray scattering from epitaxial Si0.4Ge0.6 films on Si(100) substrates using a laboratory X-ray source was investigated. It is shown that a laboratory source with a rotating anode makes it possible to investigate the material parameters of the super-thin 2–6 nm layers. For another set of partially relaxed layers, 50–200 nm thick, it is shown that from a high-resolution reciprocal space map, conditioned from diffuse scattering on dislocations, it is possible to determine quantitatively from the shape of a diffraction peak (possessing no thickness fringes) additional parameters such as misfit dislocation density and layer thickness as well as concentration and relaxation. PMID:24046495

Characterization of SiGe thin films using a laboratory X-ray instrument.

PubMed

Ulyanenkova, Tatjana; Myronov, Maksym; Benediktovitch, Andrei; Mikhalychev, Alexander; Halpin, John; Ulyanenkov, Alex

2013-08-01

The technique of reciprocal space mapping using X-rays is a recognized tool for the nondestructive characterization of epitaxial films. X-ray scattering from epitaxial Si 0.4 Ge 0.6 films on Si(100) substrates using a laboratory X-ray source was investigated. It is shown that a laboratory source with a rotating anode makes it possible to investigate the material parameters of the super-thin 2-6 nm layers. For another set of partially relaxed layers, 50-200 nm thick, it is shown that from a high-resolution reciprocal space map, conditioned from diffuse scattering on dislocations, it is possible to determine quantitatively from the shape of a diffraction peak (possessing no thickness fringes) additional parameters such as misfit dislocation density and layer thickness as well as concentration and relaxation.

Ion Beam Assisted Deposition of Thin Epitaxial GaN Films.

PubMed

Rauschenbach, Bernd; Lotnyk, Andriy; Neumann, Lena; Poppitz, David; Gerlach, Jürgen W

2017-06-23

The assistance of thin film deposition with low-energy ion bombardment influences their final properties significantly. Especially, the application of so-called hyperthermal ions (energy <100 eV) is capable to modify the characteristics of the growing film without generating a large number of irradiation induced defects. The nitrogen ion beam assisted molecular beam epitaxy (ion energy <25 eV) is used to deposit GaN thin films on (0001)-oriented 6H-SiC substrates at 700 °C. The films are studied in situ by reflection high energy electron diffraction, ex situ by X-ray diffraction, scanning tunnelling microscopy, and high-resolution transmission electron microscopy. It is demonstrated that the film growth mode can be controlled by varying the ion to atom ratio, where 2D films are characterized by a smooth topography, a high crystalline quality, low biaxial stress, and low defect density. Typical structural defects in the GaN thin films were identified as basal plane stacking faults, low-angle grain boundaries forming between w-GaN and z-GaN and twin boundaries. The misfit strain between the GaN thin films and substrates is relieved by the generation of edge dislocations in the first and second monolayers of GaN thin films and of misfit interfacial dislocations. It can be demonstrated that the low-energy nitrogen ion assisted molecular beam epitaxy is a technique to produce thin GaN films of high crystalline quality.

Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs.

PubMed

Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

2015-09-02

High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This "compliant" buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 10(5) cm(-2). In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6" wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors.

Electric Circuit Model Analogy for Equilibrium Lattice Relaxation in Semiconductor Heterostructures

NASA Astrophysics Data System (ADS)

Kujofsa, Tedi; Ayers, John E.

2018-01-01

The design and analysis of semiconductor strained-layer device structures require an understanding of the equilibrium profiles of strain and dislocations associated with mismatched epitaxy. Although it has been shown that the equilibrium configuration for a general semiconductor strained-layer structure may be found numerically by energy minimization using an appropriate partitioning of the structure into sublayers, such an approach is computationally intense and non-intuitive. We have therefore developed a simple electric circuit model approach for the equilibrium analysis of these structures. In it, each sublayer of an epitaxial stack may be represented by an analogous circuit configuration involving an independent current source, a resistor, an independent voltage source, and an ideal diode. A multilayered structure may be built up by the connection of the appropriate number of these building blocks, and the node voltages in the analogous electric circuit correspond to the equilibrium strains in the original epitaxial structure. This enables analysis using widely accessible circuit simulators, and an intuitive understanding of electric circuits can easily be extended to the relaxation of strained-layer structures. Furthermore, the electrical circuit model may be extended to continuously-graded epitaxial layers by considering the limit as the individual sublayer thicknesses are diminished to zero. In this paper, we describe the mathematical foundation of the electrical circuit model, demonstrate its application to several representative structures involving In x Ga1- x As strained layers on GaAs (001) substrates, and develop its extension to continuously-graded layers. This extension allows the development of analytical expressions for the strain, misfit dislocation density, critical layer thickness and widths of misfit dislocation free zones for a continuously-graded layer having an arbitrary compositional profile. It is similar to the transition from circuit theory, using lumped circuit elements, to electromagnetics, using distributed electrical quantities. We show this development using first principles, but, in a more general sense, Maxwell's equations of electromagnetics could be applied.

Phase-field crystal modeling of heteroepitaxy and exotic modes of crystal nucleation

NASA Astrophysics Data System (ADS)

Podmaniczky, Frigyes; Tóth, Gyula I.; Tegze, György; Pusztai, Tamás; Gránásy, László

2017-01-01

We review recent advances made in modeling heteroepitaxy, two-step nucleation, and nucleation at the growth front within the framework of a simple dynamical density functional theory, the Phase-Field Crystal (PFC) model. The crystalline substrate is represented by spatially confined periodic potentials. We investigate the misfit dependence of the critical thickness in the StranskiKrastanov growth mode in isothermal studies. Apparently, the simulation results for stress release via the misfit dislocations fit better to the PeopleBean model than to the one by Matthews and Blakeslee. Next, we investigate structural aspects of two-step crystal nucleation at high undercoolings, where an amorphous precursor forms in the first stage. Finally, we present results for the formation of new grains at the solid-liquid interface at high supersaturations/supercoolings, a phenomenon termed Growth Front Nucleation (GFN). Results obtained with diffusive dynamics (applicable to colloids) and with a hydrodynamic extension of the PFC theory (HPFC, developed for simple liquids) will be compared. The HPFC simulations indicate two possible mechanisms for GFN.

Highly luminescent, high-indium-content InGaN film with uniform composition and full misfit-strain relaxation

NASA Astrophysics Data System (ADS)

Fischer, A. M.; Wei, Y. O.; Ponce, F. A.; Moseley, M.; Gunning, B.; Doolittle, W. A.

2013-09-01

We have studied the properties of thick InxGa1-xN films, with indium content ranging from x ˜ 0.22 to 0.67, grown by metal-modulated epitaxy. While the low indium-content films exhibit high density of stacking faults and dislocations, a significant improvement in the crystalline quality and optical properties has been observed starting at x ˜ 0.6. Surprisingly, the InxGa1-xN film with x ˜ 0.67 exhibits high luminescence intensity, low defect density, and uniform full lattice-mismatch strain relaxation. The efficient strain relaxation is shown to be due to a critical thickness close to the monolayer range. These films were grown at low temperatures (˜400 °C) to facilitate indium incorporation and with precursor modulation to enhance surface morphology and metal adlayer diffusion. These findings should contribute to the development of growth techniques for nitride semiconductors under high lattice misfit conditions.

Strain distributions and their influence on electronic structures of WSe2-MoS2 laterally strained heterojunctions

NASA Astrophysics Data System (ADS)

Zhang, Chendong; Li, Ming-Yang; Tersoff, Jerry; Han, Yimo; Su, Yushan; Li, Lain-Jong; Muller, David A.; Shih, Chih-Kang

2018-02-01

Monolayer transition metal dichalcogenide heterojunctions, including vertical and lateral p-n junctions, have attracted considerable attention due to their potential applications in electronics and optoelectronics. Lattice-misfit strain in atomically abrupt lateral heterojunctions, such as WSe2-MoS2, offers a new band-engineering strategy for tailoring their electronic properties. However, this approach requires an understanding of the strain distribution and its effect on band alignment. Here, we study a WSe2-MoS2 lateral heterojunction using scanning tunnelling microscopy and image its moiré pattern to map the full two-dimensional strain tensor with high spatial resolution. Using scanning tunnelling spectroscopy, we measure both the strain and the band alignment of the WSe2-MoS2 lateral heterojunction. We find that the misfit strain induces type II to type I band alignment transformation. Scanning transmission electron microscopy reveals the dislocations at the interface that partially relieve the strain. Finally, we observe a distinctive electronic structure at the interface due to hetero-bonding.

Evaluation of stacking faults and associated partial dislocations in AlSb/GaAs (001) interface by aberration-corrected high-resolution transmission electron microscopy

NASA Astrophysics Data System (ADS)

Wen, C.; Ge, B. H.; Cui, Y. X.; Li, F. H.; Zhu, J.; Yu, R.; Cheng, Z. Y.

2014-11-01

The stacking faults (SFs) in an AlSb/GaAs (001) interface were investigated using a 300 kV spherical aberration-corrected high-resolution transmission electron microscope (HRTEM). The structure and strain distribution of the single and intersecting (V-shaped) SFs associated with partial dislocations (PDs) were characterized by the [110] HRTEM images and geometric phase analysis, respectively. In the biaxial strain maps ɛxx and ɛyy, a SF can be divided into several sections under different strain states (positive or negative strain values). Furthermore, the strain state for the same section of a SF is in contrast to each other in ɛxx and ɛyy strain maps. The modification in the strain states was attributed to the variation in the local atomic displacements for the SF in the AlSb film on the GaAs substrate recorded in the lattice image. Finally, the single SF was found to be bounded by two 30° PDs. A pair of 30° PDs near the heteroepitaxial interface reacted to form a Lomer-Cottrell sessile dislocation located at the vertices of V-shaped SFs with opposite screw components. The roles of misfit dislocations, such as the PDs, in strain relaxation were also discussed.

Study of the structure of a thin aluminum layer on the vicinal surface of a gallium arsenide substrate by high-resolution electron microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lovygin, M. V., E-mail: lemi@miee.ru; Borgardt, N. I.; Seibt, M.

2015-12-15

The results of electron-microscopy studies of a thin epitaxial aluminum layer deposited onto a misoriented gallium-arsenide substrate are reported. It is established that the layer consists of differently oriented grains, whose crystal lattices are coherently conjugated with the substrate with the formation of misfit dislocations, as in the case of a layer on a singular substrate. Atomic steps on the substrate surface are visualized, and their influence on the growth of aluminum crystal grains is discussed.

Burgers vector content of an interfacial ledge

NASA Astrophysics Data System (ADS)

Bonnet, R.; Loubradou, M.; Pénisson, J. M.

1992-07-01

A new way of investigating the elastic field around a ledge of a faceted interface is proposed for crystalline materials. The length and/or angular misfits along two adjacent facets are accommodated by slightly deforming the atomic structural units with an appropriate distribution of translation dislocations. The Burgers vector content of the ledge is not defined as usual from a circuit crossing the interface twice, a method which proves to be sometimes misleading. An example treats, at the atomic scale, an unusual ledge of the interface TiAl/Ti3Al.

Synchrotron X-ray topography of electronic materials.

PubMed

Tuomi, T

2002-05-01

Large-area transmission, transmission section, large-area back-reflection, back-reflection section and grazing-incidence topography are the geometries used when recording high-resolution X-ray diffraction images with synchrotron radiation from a bending magnet, a wiggler or an undulator of an electron or a positron storage ring. Defect contrast can be kinematical, dynamical or orientational even in the topographs recorded on the same film at the same time. In this review article limited to static topography experiments, examples of defect studies on electronic materials cover the range from voids and precipitates in almost perfect float-zone and Czochralski silicon, dislocations in gallium arsenide grown by the liquid-encapsulated Czochralski technique, the vapour-pressure controlled Czochralski technique and the vertical-gradient freeze technique, stacking faults and micropipes in silicon carbide to misfit dislocations in epitaxic heterostructures. It is shown how synchrotron X-ray topographs of epitaxic laterally overgrown gallium arsenide layer structures are successfully explained by orientational contrast.

Strain relaxation in epitaxial GaAs/Si (0 0 1) nanostructures

NASA Astrophysics Data System (ADS)

Kozak, Roksolana; Prieto, Ivan; Arroyo Rojas Dasilva, Yadira; Erni, Rolf; Skibitzki, Oliver; Capellini, Giovanni; Schroeder, Thomas; von Känel, Hans; Rossell, Marta D.

2017-11-01

Crystal defects, present in 100 nm GaAs nanocrystals grown by metal organic vapour phase epitaxy on top of (0 0 1)-oriented Si nanotips (with a tip opening 50-90 nm), have been studied by means of high-resolution aberration-corrected high-angle annular dark-field scanning transmission electron microscopy. The role of 60° perfect, 30° and 90° Shockley partial misfit dislocations (MDs) in the plastic strain relaxation of GaAs on Si is discussed. Formation conditions of stair-rod dislocations and coherent twin boundaries in the GaAs nanocrystals are explained. Also, although stacking faults are commonly observed, we show here that synthesis of GaAs nanocrystals with a minimum number of these defects is possible. On the other hand, from the number of MDs, we have to conclude that the GaAs nanoparticles are fully relaxed plastically, such that for the present tip sizes no substrate compliance can be observed.

The influence of anisotropy on the core structure of Shockley partial dislocations within FCC materials

NASA Astrophysics Data System (ADS)

Szajewski, B. A.; Hunter, A.; Luscher, D. J.; Beyerlein, I. J.

2018-01-01

Both theoretical and numerical models of dislocations often necessitate the assumption of elastic isotropy to retain analytical tractability in addition to reducing computational load. As dislocation based models evolve towards physically realistic material descriptions, the assumption of elastic isotropy becomes increasingly worthy of examination. We present an analytical dislocation model for calculating the full dissociated core structure of dislocations within anisotropic face centered cubic (FCC) crystals as a function of the degree of material elastic anisotropy, two misfit energy densities on the γ-surface ({γ }{{isf}}, {γ }{{usf}}) and the remaining elastic constants. Our solution is independent of any additional features of the γ-surface. Towards this pursuit, we first demonstrate that the dependence of the anisotropic elasticity tensor on the orientation of the dislocation line within the FCC crystalline lattice is small and may be reasonably neglected for typical materials. With this approximation, explicit analytic solutions for the anisotropic elasticity tensor {B} for both nominally edge and screw dislocations within an FCC crystalline lattice are devised, and employed towards defining a set of effective isotropic elastic constants which reproduce fully anisotropic results, however do not retain the bulk modulus. Conversely, Hill averaged elastic constants which both retain the bulk modulus and reasonably approximate the dislocation core structure are employed within subsequent numerical calculations. We examine a wide range of materials within this study, and the features of each partial dislocation core are sufficiently localized that application of discrete linear elasticity accurately describes the separation of each partial dislocation core. In addition, the local features (the partial dislocation core distribution) are well described by a Peierls-Nabarro dislocation model. We develop a model for the displacement profile which depends upon two disparate dislocation length scales which describe the core structure; (i) the equilibrium stacking fault width between two Shockley partial dislocations, R eq and (ii) the maximum slip gradient, χ, of each Shockley partial dislocation. We demonstrate excellent agreement between our own analytic predictions, numerical calculations, and R eq computed directly by both ab-initio and molecular statics methods found elsewhere within the literature. The results suggest that understanding of various plastic mechanisms, e.g., cross-slip and nucleation may be augmented with the inclusion of elastic anisotropy.

Epitaxial growth of GaSb on V-grooved Si (001) substrates with an ultrathin GaAs stress relaxing layer

NASA Astrophysics Data System (ADS)

Li, Qiang; Lai, Billy; Lau, Kei May

2017-10-01

We report epitaxial growth of GaSb nano-ridge structures and planar thin films on V-groove patterned Si (001) substrates by leveraging the aspect ratio trapping technique. GaSb was deposited on {111} Si facets of the V-shaped trenches using metal-organic chemical vapor deposition with a 7 nm GaAs growth initiation layer. Transmission electron microscopy analysis reveals the critical role of the GaAs layer in providing a U-shaped surface for subsequent GaSb epitaxy. A network of misfit dislocations was uncovered at the GaSb/GaAs hetero-interface. We studied the evolution of the lattice relaxation as the growth progresses from closely pitched GaSb ridges to coalesced thin films using x-ray diffraction. The omega rocking curve full-width-at-half-maximum of the resultant GaSb thin film is among the lowest values reported by molecular beam epitaxy, substantiating the effectiveness of the defect necking mechanism. These results thus present promising opportunities for the heterogeneous integration of devices based on 6.1 Å family compound semiconductors.

Microplastic flow in SIC/AL composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, N.; Arsenault, R.J.

Experimentally it has been determined that if a composite containing a reinforcement which has a different (in general lower) thermal coefficient of expansion as compared to the matrix, then upon cooling from the processing or annealing temperature, plastic relaxation of the misfit strain will occur. Also, experimentally it has been shown that as the size of the reinforcement is increased, i.e., from small spheres to large spheres, there is a decrease in the summation of the effective plastic strain in the matrix. In other words there is a decrease in the average dislocation density in the matrix. However, if themore » shape of the reinforcement is changed from spherical to short fiber to continuous filament, then the dislocation density increases. This experimental data is obtained at a constant volume fraction. A very simple model of plastic relaxation based on prismatic punching of dislocations from the interface can account for the decrease in the dislocation density with an increase reinforcement size, and the increase in dislocation density when changing the shape from a sphere to a continuous filament. A FEM analysis of the shape factor is also capable of predicting the correct trend. However, at present the continuum mechanics methods that have been investigated can not predict the size dependence. A simple model to explain the size effect in Al{sub 2}O{sub 3}/NiAl composites based on the deformation characteristics of NiAl will be discussed.« less

On the nature of L1{sub 0} ordering in equiatomic AuNi and AuCu thin films grown on Au(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dynna, M.; Marty, A.; Gilles, B.

1997-01-01

The L1{sub 0} ordering of thin epitaxial films having a (001) surface normal subject to elastic constraints imposed by a similarly oriented substrate has been investigated both experimentally and theoretically. Thin AuNi films grown by MBE at room temperature on Au(001) by means of the alternating deposition of Au and Ni are found to possess a L1{sub 0} structure free of periodic antiphase boundaries when growth is controlled in such a way as to ensure that the quantity of Au or Ni deposited is almost exactly equal to one monolayer. If such control is not exercised during growth, a structuremore » having periodic antiphase boundaries is formed. This behavior stands in contrast to that of AuCu during room temperature MBE growth on Au(001), where a strongly ordered L2{sub 0} structure free of antiphase boundaries is formed even on the codeposition of Au and Cu. The effect of elastic constraints on the state of order in an alloy film which undergoes an L2{sub 0} order-disorder transition is examined as a function of temperature, lattice mismatch, and film thickness within the context of a model which allows for the introduction of dislocations in order to relieve misfit strain. Calculations are performed in detail for the case of AuCu, where particular attention is paid to the coupling between film thickness, the number of misfit dislocations present at equilibrium, and the state of order.« less

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ′ Microstructures

PubMed Central

Prakash, Aruna; Bitzek, Erik

2017-01-01

Single-crystal Ni-base superalloys, consisting of a two-phase γ/γ′ microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ′ phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ/γ′ microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ′ particles with planar γ/γ′ interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples—the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions. PMID:28772453

Idealized vs. Realistic Microstructures: An Atomistic Simulation Case Study on γ/γ' Microstructures.

PubMed

Prakash, Aruna; Bitzek, Erik

2017-01-23

Single-crystal Ni-base superalloys, consisting of a two-phase γ / γ ' microstructure, retain high strengths at elevated temperatures and are key materials for high temperature applications, like, e.g., turbine blades of aircraft engines. The lattice misfit between the γ and γ ' phases results in internal stresses, which significantly influence the deformation and creep behavior of the material. Large-scale atomistic simulations that are often used to enhance our understanding of the deformation mechanisms in such materials must accurately account for such misfit stresses. In this work, we compare the internal stresses in both idealized and experimentally-informed, i.e., more realistic, γ / γ ' microstructures. The idealized samples are generated by assuming, as is frequently done, a periodic arrangement of cube-shaped γ ' particles with planar γ / γ ' interfaces. The experimentally-informed samples are generated from two different sources to produce three different samples-the scanning electron microscopy micrograph-informed quasi-2D atomistic sample and atom probe tomography-informed stoichiometric and non-stoichiometric atomistic samples. Additionally, we compare the stress state of an idealized embedded cube microstructure with finite element simulations incorporating 3D periodic boundary conditions. Subsequently, we study the influence of the resulting stress state on the evolution of dislocation loops in the different samples. The results show that the stresses in the atomistic and finite element simulations are almost identical. Furthermore, quasi-2D boundary conditions lead to a significantly different stress state and, consequently, different evolution of the dislocation loop, when compared to samples with fully 3D boundary conditions.

CFD Growth of 3C-SiC on 4H/6H Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Spry, David J.; Powell, J. Anthony; Du, Hui; Skowronski, Marek; Huang, XianRong; Dudley, Michael

2006-01-01

This article describes growth and characterization of the highest quality reproducible 3C-SiC heteroepitaxial films ever reported. By properly nucleating 3C-SiC growth on top of perfectly on-axis (0001) 4H-SiC mesa surfaces completely free of atomic scale steps and extended defects, growth of 3C-SiC mesa heterofilms completely free of extended crystal defects can be achieved. In contrast, nucleation and growth of 3C-SiC mesa heterofilms on top of 4H-SiC mesas with atomic-scale steps always results in numerous observable dislocations threading through the 3C-SiC epilayer. High-resolution X-ray diffraction and transmission electron microscopy measurements indicate non-trivial in-plane lattice mismatch between the 3C and 4H layers. This mismatch is somewhat relieved in the step-free mesa case via misfit dislocations confined to the 3C/4H interfacial region without dislocations threading into the overlying 3C-SiC layer. These results indicate that the presence or absence of steps at the 3C/4H heteroepitaxial interface critically impacts the quality, defect structure, and relaxation mechanisms of single-crystal heteroepitaxial 3C-SiC films.

Ultralow threading dislocation density in GaN epilayer on near-strain-free GaN compliant buffer layer and its applications in hetero-epitaxial LEDs

PubMed Central

Shih, Huan-Yu; Shiojiri, Makoto; Chen, Ching-Hsiang; Yu, Sheng-Fu; Ko, Chung-Ting; Yang, Jer-Ren; Lin, Ray-Ming; Chen, Miin-Jang

2015-01-01

High threading dislocation (TD) density in GaN-based devices is a long unresolved problem because of the large lattice mismatch between GaN and the substrate, which causes a major obstacle for the further improvement of next-generation high-efficiency solid-state lighting and high-power electronics. Here, we report InGaN/GaN LEDs with ultralow TD density and improved efficiency on a sapphire substrate, on which a near strain-free GaN compliant buffer layer was grown by remote plasma atomic layer deposition. This “compliant” buffer layer is capable of relaxing strain due to the absorption of misfit dislocations in a region within ~10 nm from the interface, leading to a high-quality overlying GaN epilayer with an unusual TD density as low as 2.2 × 105 cm−2. In addition, this GaN compliant buffer layer exhibits excellent uniformity up to a 6” wafer, revealing a promising means to realize large-area GaN hetero-epitaxy for efficient LEDs and high-power transistors. PMID:26329829

Structure of A-C Type Intervariant Interface in Nonmodulated Martensite in a Ni-Mn-Ga Alloy.

PubMed

Ouyang, S; Yang, Y Q; Han, M; Xia, Z H; Huang, B; Luo, X; Zhao, G M; Chen, Y X

2016-07-06

The structure of A-C type intervariant interface in nonmodulated martensite in the Ni54Mn25Ga21 alloy was studied using high resolution transmission electron microscopy. The A-C interface is between the martensitic variants A and C, each of which has a nanoscale substructure of twin-related lamellae. According to their different thicknesses, the nanoscale lamellae in each variant can be classified into major and minor lamellae. It is the boundaries between these lamellae in different variants that constitute the A-C interface, which is thus composed of major-major, minor-minor, and major-minor lamellar boundaries. The volume fraction of the minor lamellae, λ, plays an important role in the structure of A-C interfaces. For major-major and minor-minor lamellar boundaries, they are symmetrical or asymmetrical tilt boundaries; for major-minor boundary, as λ increases, it changes from a symmetrical tilt boundary to two asymmetrical microfacets. Moreover, both lattice and misfit dislocations were observed in the A-C interfaces. On the basis of experimental observations and dislocation theory, we explain how different morphologies of the A-C interface are formed and describe the formation process of the A-C interfaces from λ ≈ 0 to λ ≈ 0.5 in terms of dislocation-boundary interaction, and we infer that low density of interfacial dislocations would lead to high mobility of the A-C interface.

Influence of GaAs surface termination on GaSb/GaAs quantum dot structure and band offsets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zech, E. S.; Chang, A. S.; Martin, A. J.

2013-08-19

We have investigated the influence of GaAs surface termination on the nanoscale structure and band offsets of GaSb/GaAs quantum dots (QDs) grown by molecular-beam epitaxy. Transmission electron microscopy reveals both coherent and semi-coherent clusters, as well as misfit dislocations, independent of surface termination. Cross-sectional scanning tunneling microscopy and spectroscopy reveal clustered GaSb QDs with type I band offsets at the GaSb/GaAs interfaces. We discuss the relative influences of strain and QD clustering on the band offsets at GaSb/GaAs interfaces.

Microstructure and conductance-slope of InAs/GaSb tunnel diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iutzi, Ryan M., E-mail: iutzi@mit.edu; Fitzgerald, Eugene A.

2014-06-21

InAs/GaSb and similar materials systems have generated great interest as a heterojunction for tunnel field effect transistors (TFETs) due to favorable band alignment. However, little is currently understood about how such TFETs are affected by materials defects and nonidealities. We present measurements of the conductance slope for various InAs/GaSb heterojunctions via two-terminal electrical measurements, which removes three-terminal parasitics and enables direct study on the effect of microstructure on tunnelling. Using this, we can predict how subthreshold swings in TFETs can depend on microstructure. We also demonstrate growth and electrical characterization for structures grown by metalorganic chemical vapor deposition (MOCVD)—a generallymore » more scalable process compared with molecular beam epitaxy (MBE). We determine that misfit dislocations and point defects near the interface can lead to energy states in the band-gap and local band bending that result in trap-assisted leakage routes and nonuniform band alignment across the junction area that lower the steepness of the conductance slope. Despite the small lattice mismatch, misfit dislocations still form in InAs on GaSb due to relaxation as a result of large strain from intermixed compositions. This can be circumvented by growing GaSb on InAs, straining the GaSb underlayer, or lowering the InAs growth temperature in the region of the interface. The conductance slope can also be improved by annealing the samples at higher temperatures, which we believe acts to annihilate point defects and average out major fluctuations in band alignment across the interface. Using a combination of these techniques, we can greatly improve the steepness of the conductance slope which could result in steeper subthreshold swings in TFETs in the future.« less

Strain relaxation in convex-graded InxAl1-xAs (x = 0.05-0.79) metamorphic buffer layers grown by molecular beam epitaxy on GaAs(001)

NASA Astrophysics Data System (ADS)

Solov'ev, V. A.; Chernov, M. Yu; Baidakova, M. V.; Kirilenko, D. A.; Yagovkina, M. A.; Sitnikova, A. A.; Komissarova, T. A.; Kop'ev, P. S.; Ivanov, S. V.

2018-01-01

This paper presents a study of structural properties of InGaAs/InAlAs quantum well (QW) heterostructures with convex-graded InxAl1-xAs (x = 0.05-0.79) metamorphic buffer layers (MBLs) grown by molecular beam epitaxy on GaAs substrates. Mechanisms of elastic strain relaxation in the convex-graded MBLs were studied by the X-ray reciprocal space mapping combined with the data of spatially-resolved selected area electron diffraction implemented in a transmission electron microscope. The strain relaxation degree was approximated for the structures with different values of an In step-back. Strong contribution of the strain relaxation via lattice tilt in addition to the formation of the misfit dislocations has been observed for the convex-graded InAlAs MBL, which results in a reduced threading dislocation density in the QW region as compared to a linear-graded MBL.

Defect Characterization in SiGe/SOI Epitaxial Semiconductors by Positron Annihilation

PubMed Central

2010-01-01

The potential of positron annihilation spectroscopy (PAS) for defect characterization at the atomic scale in semiconductors has been demonstrated in thin multilayer structures of SiGe (50 nm) grown on UTB (ultra-thin body) SOI (silicon-on-insulator). A slow positron beam was used to probe the defect profile. The SiO2/Si interface in the UTB-SOI was well characterized, and a good estimation of its depth has been obtained. The chemical analysis indicates that the interface does not contain defects, but only strongly localized charged centers. In order to promote the relaxation, the samples have been submitted to a post-growth annealing treatment in vacuum. After this treatment, it was possible to observe the modifications of the defect structure of the relaxed film. Chemical analysis of the SiGe layers suggests a prevalent trapping site surrounded by germanium atoms, presumably Si vacancies associated with misfit dislocations and threading dislocations in the SiGe films. PMID:21170391

Effects of pre-creep on the dislocations of 316LN Austenite stainless steel

NASA Astrophysics Data System (ADS)

Pei, Hai-xiang; Hui, Jun; Hua, Hou; Feng, Zai-xin; Xu, Xiao-long

2017-09-01

The 316LN Austenite stainless steels (316LNASS) were pre-creep treated, the evolution of microstructure were investigated. The samples were pre-creep at 593 K and from 500 to 2000 h at 873 K with a stress in the range of 20 to 150 MPa, Then the evolution of microstructure and precipitation were investigated by optical microscope (OM), and transmission electron microscope (TEM). The results show that the crystal surface slipping resulted in dislocations and original dislocations decomposition during the pre-creep process, and generate quadrilateral or hexagonal dislocation network was obviously. The sub-grain boundary gradually became narrow with the increasing of pre-creep treatment time and temperature. When the pre-creep temperature was 593 K and 873 K, dislocation network gradually disappear with the increasing of pre-creep time and load. When the pre-creep temperature was 873 K under 120 MPa, and the treatment time was 2000 h, the hexagonal dislocation network (HDN) would completely disappeared. When the pre-creep temperature was 593 K under 20 MPa, and the treatment time was 500 h, the quadrilateral dislocation network (QDN) would completely disappeared.

Strain relaxation in (0001) AlN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Bourret, Alain; Adelmann, Christoph; Daudin, Bruno; Rouvière, Jean-Luc; Feuillet, Guy; Mula, Guido

2001-06-01

The strain-relaxation phenomena during the early stages of plasma-assisted molecular-beam epitaxy growth of lattice-mismatched wurtzite (0001) AlN/GaN heterostructures have been studied by real-time recording of the in situ reflection high-energy electron diffraction (RHEED), ex situ transmission electron microscopy (TEM), and atomic-force microscopy. A pseudo-two-dimensional layer-by-layer growth is observed at substrate temperatures of 640-660 °C, as evidenced by RHEED and TEM. However, the variation of the in-plane lattice parameter during growth and after growth has been found to be complex. Three steps have been seen during the deposition of lattice-mismatched AlN and GaN layers: they were interpreted as the succession of the formation of flat platelets, 3-6 monolayers high (0.8-1.5 nm) and 10-20 nm in diameter, their partial coalescence, and gradual dislocation introduction. Platelet formation leads to elastic relaxation as high as 1.8%, i.e., a considerable part of the AlN/GaN lattice mismatch of 2.4%, and can be reversible. Platelets are always observed during the initial stages of growth and are almost insensitive to the metal/N ratio. In contrast, platelet coalescence and dislocation introduction are very dependent on the metal/N ratio: no coalescence occurs and the dislocation introduction rate is higher under N-rich conditions. In all cases, the misfit dislocation density, as measured by the irreversible relaxation, is initially of the order of 7×1011 cm-2 and decreases exponentially with the layer thickness. These results are interpreted in the framework of a model that emphasizes the important role of the flat platelets for dislocation nucleation.

Posterior Predictive Model Checking in Bayesian Networks

ERIC Educational Resources Information Center

Crawford, Aaron

2014-01-01

This simulation study compared the utility of various discrepancy measures within a posterior predictive model checking (PPMC) framework for detecting different types of data-model misfit in multidimensional Bayesian network (BN) models. The investigated conditions were motivated by an applied research program utilizing an operational complex…

Regular dislocation networks in silicon as a tool for nanostructure devices used in optics, biology, and electronics.

PubMed

Kittler, M; Yu, X; Mchedlidze, T; Arguirov, T; Vyvenko, O F; Seifert, W; Reiche, M; Wilhelm, T; Seibt, M; Voss, O; Wolff, A; Fritzsche, W

2007-06-01

Well-controlled fabrication of dislocation networks in Si using direct wafer bonding opens broad possibilities for nanotechnology applications. Concepts of dislocation-network-based light emitters, manipulators of biomolecules, gettering and insulating layers, and three-dimensional buried conductive channels are presented and discussed. A prototype of a Si-based light emitter working at a wavelength of about 1.5 microm with an efficiency potential estimated at 1% is demonstrated.

Optimization of the interfacial misfit array growth mode of GaSb epilayers on GaAs substrate

NASA Astrophysics Data System (ADS)

Benyahia, D.; Kubiszyn, Ł.; Michalczewski, K.; Kębłowski, A.; Martyniuk, P.; Piotrowski, J.; Rogalski, A.

2018-02-01

The growth of undoped GaSb epilayers on GaAs (0 0 1) substrates with 2° offcut towards 〈1 1 0〉, by molecular beam epitaxy system (MBE) at low growth temperature is reported. The strain due to the lattice mismatch of 7.78% is relieved spontaneously at the interface by using interfacial misfit array (IMF) growth mode. Three approaches of this technique are investigated. The difference consists in the steps after the growth of GaAs buffer layer. These steps are the desorption of arsenic from the GaAs surface, and the cooling down to the growth temperature, under or without antimony flux. The X-ray analysis and the transmission electron microscopy point out that desorption of arsenic followed by the substrate temperature decreasing under no group V flux leads to the best structural and crystallographic properties in the GaSb layer. It is found that the 2 μm-thick GaSb is 99.8% relaxed, and that the strain is relieved by the formation of a periodic array of 90° pure-edge dislocations along the [1 1 0] direction with a periodicity of 5.6 nm.

Application of the anisotropic phase-field crystal model to investigate the lattice systems of different anisotropic parameters and orientations

NASA Astrophysics Data System (ADS)

Kundin, Julia; Ajmal Choudhary, Muhammad

2017-07-01

In this article, we present the recent advances in the development of the anisotropic phase-field crystal (APFC) model. These advances are important in basic researches for multiferroic and thermoelectric materials with anisotropic crystal lattices and in thin-film applications. We start by providing a general description of the model derived in our previous studies based on the crystal symmetry and the microscopic dynamical density functional theory for anisotropic interactions and show that there exist only two possible degrees of freedom for the anisotropic lattices which are described by two independent parameters. New findings concerning the applications of the APFC model for the estimation of the elastic modules of anisotropic systems including sheared and stretched lattices as well as for the investigation of the heterogeneous thin film growth are described. The simulation results demonstrate the strong dependency of the misfit dislocation formation during the film growth on the anisotropy and reveal the asymmetric behavior in the cases of positive and negative misfits. We also present the development of the amplitude representation for the full APFC model of two orientation variants and show the relationship between the wave vectors and the base angles of the anisotropic lattices.

Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications

DOE PAGES

Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.; ...

2017-01-07

Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less

Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.

Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less

Finite element approximation of the fields of bulk and interfacial line defects

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

A generalized disclination (g.disclination) theory (Acharya and Fressengeas, 2015) has been recently introduced that goes beyond treating standard translational and rotational Volterra defects in a continuously distributed defects approach; it is capable of treating the kinematics and dynamics of terminating lines of elastic strain and rotation discontinuities. In this work, a numerical method is developed to solve for the stress and distortion fields of g.disclination systems. Problems of small and finite deformation theory are considered. The fields of a single disclination, a single dislocation treated as a disclination dipole, a tilt grain boundary, a misfitting grain boundary with disconnections, a through twin boundary, a terminating twin boundary, a through grain boundary, a star disclination/penta-twin, a disclination loop (with twist and wedge segments), and a plate, a lenticular, and a needle inclusion are approximated. It is demonstrated that while the far-field topological identity of a dislocation of appropriate strength and a disclination-dipole plus a slip dislocation comprising a disconnection are the same, the latter microstructure is energetically favorable. This underscores the complementary importance of all of topology, geometry, and energetics in understanding defect mechanics. It is established that finite element approximations of fields of interfacial and bulk line defects can be achieved in a systematic and routine manner, thus contributing to the study of intricate defect microstructures in the scientific understanding and predictive design of materials. Our work also represents one systematic way of studying the interaction of (g.)disclinations and dislocations as topological defects, a subject of considerable subtlety and conceptual importance (Aharoni et al., 2017; Mermin, 1979).

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

NASA Astrophysics Data System (ADS)

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-07-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening.

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

PubMed Central

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-01-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening. PMID:27435638

Theoretical performance of mid wavelength HgCdTe(1 0 0) heterostructure infrared detectors

NASA Astrophysics Data System (ADS)

Kopytko, M.

2017-11-01

The paper presents a theoretical study of the p+BpnN+ design based on HgCdTe(1 0 0) layers, which significantly improves the performance of detectors optimized for the mid-wave infrared spectral range. p+BpnN+ design combines the concept of a high impedance photoconductor with double layer hetero-junction device. Zero valence band offset approximation throughout the p+Bpn heterostructure allows flow of only minority holes generated in the absorber, what in a combination with n-N+ exclusion junction provides the Auger suppression. Modeling shows that by applying a low doping active layer, it is possible to achieve an order of magnitude lower dark current densities than those determined by ;Rule 07;. A key to its success is a reduction of Shockley-Read-Hall centers associated with native defects, residual impurities and misfit dislocations. Reduction of metal site vacancies below 1012 cm-3 and dislocation density to 105 cm-2 allow to achieve a background limited performance at 250 K. If the background radiation can be reduced, operation with a three- or four-stage thermo-electric-cooler may be possible.

Twin-mediated epitaxial growth of highly lattice-mismatched Cu/Ag core-shell nanowires.

PubMed

Weng, Wei-Lun; Hsu, Chin-Yu; Lee, Jheng-Syun; Fan, Hsin-Hsin; Liao, Chien-Neng

2018-05-31

Lattice-mismatch is an important factor for the heteroepitaxial growth of core-shell nanostructures. A large lattice-mismatch usually leads to a non-coherent interface or a polycrystalline shell layer. In this study, a conformal Ag layer is coated on Cu nanowires with dense nanoscale twin boundaries through a galvanic replacement reaction. Despite a large lattice mismatch between Ag and Cu (∼12.6%), the Ag shell replicates the twinning structure in Cu nanowires and grows epitaxially on the nanotwinned Cu nanowire. A twin-mediated growth mechanism is proposed to explain the epitaxy of high lattice-mismatch bimetallic systems in which the misfit dislocations are accommodated by coherent twin boundaries.

Surface roughening transition and critical layer thickness in strained-layer heteroepitaxy of EuTe on PbTe (111)

NASA Astrophysics Data System (ADS)

Springholz, G.; Frank, N.; Bauer, G.

1994-05-01

Heteroepitaxial growth of 2% lattice-mismatched EuTe on PbTe (111) by molecular beam epitaxy is investigated in the two-dimensional layer-by-layer growth regime combining in situ reflection high-energy electron diffraction and scanning tunneling microscopy (STM). At the critical layer thickness a distinct surface roughening is observed. The quantitative analysis of STM images yields an increase of the root mean square roughness by a factor of 4 at this roughening transition. Strong evidence is presented that for the used growth conditions this roughening is not caused by strain induced coherent islanding but by misfit dislocations at the onset of strain relaxation.

Using O*NET in Dislocated Worker Retraining: The Toledo Dislocated Worker Consortium Project.

ERIC Educational Resources Information Center

Sommers, Dixie; Austin, James

A project used the Occupational Information Network (O*NET) to assist eligible dislocated workers in determining whether training offered by the Toledo Dislocated Worker Consortium fit their needs. More specifically, O*NET was used to help the dislocated workers understand whether they had knowledge and skills that were transferable into the…

GaSb solar cells grown on GaAs via interfacial misfit arrays for use in the III-Sb multi-junction cell

NASA Astrophysics Data System (ADS)

Nelson, George T.; Juang, Bor-Chau; Slocum, Michael A.; Bittner, Zachary S.; Laghumavarapu, Ramesh B.; Huffaker, Diana L.; Hubbard, Seth M.

2017-12-01

Growth of GaSb with low threading dislocation density directly on GaAs may be possible with the strategic strain relaxation of interfacial misfit arrays. This creates an opportunity for a multi-junction solar cell with access to a wide range of well-developed direct bandgap materials. Multi-junction cells with a single layer of GaSb/GaAs interfacial misfit arrays could achieve higher efficiency than state-of-the-art inverted metamorphic multi-junction cells while forgoing the need for costly compositionally graded buffer layers. To develop this technology, GaSb single junction cells were grown via molecular beam epitaxy on both GaSb and GaAs substrates to compare homoepitaxial and heteroepitaxial GaSb device results. The GaSb-on-GaSb cell had an AM1.5g efficiency of 5.5% and a 44-sun AM1.5d efficiency of 8.9%. The GaSb-on-GaAs cell was 1.0% efficient under AM1.5g and 4.5% at 44 suns. The lower performance of the heteroepitaxial cell was due to low minority carrier Shockley-Read-Hall lifetimes and bulk shunting caused by defects related to the mismatched growth. A physics-based device simulator was used to create an inverted triple-junction GaInP/GaAs/GaSb model. The model predicted that, with current GaSb-on-GaAs material quality, the not-current-matched, proof-of-concept cell would provide 0.5% absolute efficiency gain over a tandem GaInP/GaAs cell at 1 sun and 2.5% gain at 44 suns, indicating that the effectiveness of the GaSb junction was a function of concentration.

Device Modeling and Characterization for CIGS Solar Cells

NASA Astrophysics Data System (ADS)

Song, Sang Ho

We studied the way to achieve high efficiency and low cost of CuIn1-xGaxSe2 (CIGS) solar cells. The Fowler-Nordheim (F-N) tunneling currents at low bias decreased the shunt resistances and degraded the fill factor and efficiency. The activation energies of majority traps were directly related with F-N tunneling currents by the energy barriers. Air anneals decreased the efficiency from 7.74% to 5.18% after a 150 °C, 1000 hour anneal. The decrease of shunt resistance due to F-N tunneling and the increase of series resistance degrade the efficiencies of solar cells. Air anneal reduces the free carrier densities by the newly generated Cu interstitial defects (Cui). Mobile Cui defects induce the metastability in CIGS solar cell. Since oxygen atoms are preferred to passivate the Se vacancies thus Cu interstitial defects explains well metastability of CIGS solar cells. Lattice mismatch and misfit stress between layers in CIGS solar cells can explain the particular effects of CIGS solar cells. The misfits of 35.08° rotated (220/204) CIGS to r-plane (102) MoSe2 layers are 1% ˜ -4% lower than other orientation and the lattice constants of two layers in short direction are matched at Ga composition x=0.35. This explains well the preferred orientation and the maximum efficiency of Ga composition effects. Misfit between CIGS and CdS generated the dislocations in CdS layer as the interface traps. Thermionic emission currents due to interface traps limit the open circuit voltage at high Ga composition. The trap densities were calculated by critical thickness and dislocation spacing and the numerical device simulation results were well matched with the experimental results. A metal oxide broken-gap p-n heterojunction is suggested for tunnel junction for multi-junction polycrystalline solar cells and we examined the characteristics of broken-gap tunnel junction by numerical simulation. Ballistic transport mechanism explains well I-V characteristics of broken-gap junction. P-type Cu2O and n-type In2O3 broken-gap heterojunction is effective with the CIGS tandem solar cells. The junction has linear I-V characteristics with moderate carrier concentration (2x1017 cm-3) and the resistance is lower than GaAs tunnel junction. The efficiency of a CGS/CIS tandem solar cells was 24.1% with buffer layers. And no significant degradations are expected due to broken gap junction.

Processing and Characterization of Mechanically Alloyed NiAl-Based Alloys

DTIC Science & Technology

1994-07-20

The ductility of the .MA material decreases at 800 K arranged in networks but many single dislocations are and again increases at higher temperatures...dislocation density increases significantly compared to the hot extruded material. Dislocations are often arranged in a network but many single...P. Deiavigette and S. Amelinckx, Phil. Mag., 5, 729 (1960). 10. K. Vedula and P.S. Khadkikar, High Te= nerone Ahi kides anwd Inmerti s, p.197, S.H

An EBIC study of dislocation networks in unprocessed and unprocessed web silicon ribbon. [for solar cells

NASA Technical Reports Server (NTRS)

Fieldler, F. S.; Ast, D.

1982-01-01

Experimental techniques for the preparation of electron beam induced current samples of Web-dentritic silicon are described. Both as grown and processed material were investigated. High density dislocation networks were found close to twin planes in the bulk of the material. The electrical activity of these networks is reduced in processed material.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ast, D.G.

Research focused on control of misfit dislocations in strained epitaxial layers of GaAs through prepatterning of the substrate. Patterning and etching trenches into GaAs substrates before epitaxial growth results in nonplanar wafer surface, which makes device fabrication more difficult. Selective ion damaging the substrate prior to growth was investigated. The question of whether the overlayer must or must not be discontinuous was addressed. The third research direction was to extend results from molecular beam epitaxially grown material to organometallic chemical vapor deposition. Effort was increased to study the patterning processes and the damage it introduces into the substrate. The researchmore » program was initiated after the discovery that 500-eV dry etching in GaAs damages the substrate much deeper than the ion range.« less

α-Al2O3/Ga2O3 superlattices coherently grown on r-plane sapphire

NASA Astrophysics Data System (ADS)

Oshima, Takayoshi; Kato, Yuji; Imura, Masataka; Nakayama, Yoshiko; Takeguchi, Masaki

2018-06-01

Ten-period binary α-Al2O3/Ga2O3 superlattices were fabricated on r-plane sapphire substrates by molecular beam epitaxy. By systematic variation of α-Ga2O3 thickness and evaluation through X-ray reflectivity and diffraction measurements and scanning transmission electron microscopy, we verified that the superlattice with α-Ga2O3 thickness up to ∼1 nm had coherent interfaces without misfit dislocation in spite of the large lattice mismatches. This successful fabrication of coherent α-Al2O3/Ga2O3 superlattices will encourage further development of α-(Al x Ga1‑ x )2O3-based heterostructures including superlattices.

Cathodoluminescence and transmission electron microscopy study of dark line defects in thick In(0.2)Ga(0.8)As/GaAs multiple quantum wells

NASA Technical Reports Server (NTRS)

Rich, D. H.; George, T.; Pike, W. T.; Maserjian, J.; Grunthaner, F. J.; Larsson, A.

1992-01-01

TEM and cathodoluminescence (CL) imaging and spectroscopy have been performed on In(0.2)Ga(0.8)As/GaAs MQW structures. Cross-sectional and plan-view TEM demonstrates that misfit dislocations (MDs) are confined to the MQW-to-GaAs interfacial regions. The observed large variation in the exciton luminescence intensity is interpreted as due to the presence of nonradiative recombination centers spread homogeneously in the MQW region away from interface MDs. These nonradiative recombination centers compete with exciton and midgap radiative centers at wavelengths of 950 nm and 1000-1600 nm, respectively, resulting in spatiallty correlated dark line defects for all CL imaging wavelengths.

Crystallographic tilt and in-plane anisotropies of an a-plane InGaN/GaN layered structure grown by MOCVD on r-plane sapphire using a ZnO buffer

NASA Astrophysics Data System (ADS)

Liu, H. F.; Liu, W.; Guo, S.; Chi, D. Z.

2016-03-01

High-resolution x-ray diffraction (HRXRD) was used to investigate the crystallographic tilts and structural anisotropies in epitaxial nonpolar a-plane InGaN/GaN grown by metal-organic chemical vapor deposition on r-plane sapphire using a ZnO buffer. The substrate had an unintentional miscut of 0.14° towards its [-4 2 2 3] axis. However, HRXRD revealed a tilt of 0.26° (0.20°) between the ZnO (GaN) (11-20) and the Al2O3 (1-102) atomic planes, with the (11-20) axis of ZnO (GaN) tilted towards its c-axis, which has a difference of 163° in azimuth from that of the substrate’s miscut. Excess broadenings in the GaN/ZnO (11-20) rocking curves (RCs) were observed along its c-axis. Specific analyses revealed that partial dislocations and anisotropic in-plane strains, rather than surface-related effects, wafer curvature or stacking faults, are the dominant factors for the structural anisotropy. The orientation of the partial dislocations is most likely affected by the miscut of the substrate, e.g. via tilting of the misfit dislocation gliding planes created during island coalescences. Their Burgers vector components in the growth direction, in turn, gave rise to crystallographic tilts in the same direction as that of the excess RC-broadenings.

Simulation of uniaxial deformation of hexagonal crystals (Mg, Be)

NASA Astrophysics Data System (ADS)

Vlasova, A. M.; Kesarev, A. G.

2017-12-01

Molecular dynamics (MD) simulations were performed for the nanocompression loading of nanocrystalline magnesium and beryllium modeled by an interatomic potential of the embedded atom method (EAM). It is shown that the main deformation modes are prismatic slip and twinning for magnesium, and only prismatic slip for beryllium. The formation of stable configurations of dislocation grids in magnesium and beryllium was observed. Dislocation networks are formed in the habit plane of the twin in a magnesium nanocrystall. Some dislocation reactions are suggested to explain the appearance of such networks. Shockley partial dislocations in a beryllium nanocrystall form grids in the slip plane. A strong anisotropy between slip systems was observed, which is in agreement with experimental data.

Defect characterization of MOCVD grown AlN/AlGaN films on sapphire substrates by TEM and TKD

NASA Astrophysics Data System (ADS)

O'Connell, J. H.; Lee, M. E.; Westraadt, J.; Engelbrecht, J. A. A.

2018-04-01

High resolution transmission electron microscopy (TEM) has been used to characterize defects structures in AlN/AlGaN epilayers grown by metal-organic chemical vapour deposition (MOCVD) on c-plane sapphire (Al2O3) substrates. The AlN buffer layer was shown to be epitaxially grown on the sapphire substrate with the two lattices rotated relatively through 30°. The AlN layer had a measured thickness of 20-30 nm and was also shown to contain nano-sized voids. The misfit dislocations in the buffer layer have been shown to be pure edge with a spacing of 1.5 nm. TEM characterization of the AlGaN epilayers was shown to contain a higher than expected threading dislocation density of the order 1010 cm-2 as well as the existence of "nanopipes". TEM analysis of the planar lamella for AlGaN has presented evidence for the possibility of columnar growth. The strain and misorientation mapping in the AlGaN epilayer by transmission Kikuchi diffraction (TKD) using the FIB lamella has also been demonstrated to be complimentary to data obtained by TEM imaging.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trishkina, L., E-mail: trishkina.53@mail.ru; Zboykova, N.; Koneva, N., E-mail: koneva@tsuab.ru

The aim of the investigation was the determination of the statistic description of dislocation distribution in each dislocation substructures component forming after different deformation degrees in the Cu-Al alloys. The dislocation structures were investigated by the transmission diffraction electron microscopy method. In the work the statistic description of distance distribution between the dislocations, dislocation barriers and dislocation tangles in the deformed Cu-Al alloys with different concentration of Al and test temperature at the grain size of 100 µm was carried out. It was established that the above parameters influence the dislocation distribution in different types of the dislocation substructures (DSS): dislocationmore » chaos, dislocation networks without disorientation, nondisoriented and disoriented cells, in the walls and inside the cells. The distributions of the distances between dislocations in the investigated alloys for each DSS type formed at certain deformation degrees and various test temperatures were plotted.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

DOE PAGES

Yadav, S. K.; Shao, S.; Wang, J.; ...

2015-11-27

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

Structural modifications due to interface chemistry at metal-nitride interfaces

PubMed Central

Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

2015-01-01

Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

Structure and strain relaxation mechanisms of ultrathin epitaxial Pr2O3 films on Si(111)

NASA Astrophysics Data System (ADS)

Schroeder, T.; Lee, T.-L.; Libralesso, L.; Joumard, I.; Zegenhagen, J.; Zaumseil, P.; Wenger, C.; Lupina, G.; Lippert, G.; Dabrowski, J.; Müssig, H.-J.

2005-04-01

The structure of ultrathin epitaxial Pr2O3 films on Si(111) was studied by synchrotron radiation-grazing incidence x-ray diffraction. The oxide film grows as hexagonal Pr2O3 phase with its (0001) plane attached to the Si(111) substrate. The hexagonal (0001) Pr2O3 plane matches the in-plane symmetry of the hexagonal Si(111) surface unit cell by aligning the ⟨101¯0⟩Pr2O3 along the ⟨112¯⟩ Si directions. The small lattice mismatch of 0.5% results in the growth of pseudomorphic oxide films of high crystalline quality with an average domain size of about 50 nm. The critical thickness tc for pseudomorphic growth amounts to 3.0±0.5nm. The relaxation of the oxide film from pseudomorphism to bulk behavior beyond tc causes the introduction of misfit dislocations, the formation of an in-plane small angle mosaicity structure, and the occurence of a phase transition towards a (111) oriented cubic Pr2O3 film structure. The observed phase transition highlights the influence of the epitaxial interface energy on the stability of Pr2O3 phases on Si(111). A mechanism is proposed which transforms the hexagonal (0001) into the cubic (111) Pr2O3 epilayer structure by rearranging the oxygen network but leaving the Pr sublattice almost unmodified.

Studies of morphological instability and defect formation in heteroepitaxial Si(1-x)Ge(x) thin films via controlled annealing experiments

NASA Astrophysics Data System (ADS)

Ozkan, Cengiz Sinan

Strained layer semiconductor structures provide possibilities for novel electronic devices. When a semiconductor layer is deposited epitaxially onto a single crystal substrate with the same structure but a slightly different lattice parameter, the semiconductor layer grows commensurately with a misfit strain that can be accommodated elastically below a critical thickness. When the critical thickness is exceeded, the elastic strain energy builds up to a point where it becomes energetically favorable to form misfit dislocations. In addition, in the absence of a capping layer, Sisb{1-x}Gesb{x} films exhibit surface roughening via surface diffusion under the effect of a compressive stress which is caused by a lattice mismatch. Surface roughening takes place in the form of ridges aligned along {<}100{>} or {<}110{>} directions depending on the film thickness and the rate of strain relief. Recent work has shown that surface roughening makes a very significant contribution to strain relaxation in heteroepitaxial thin films. At sharp valley regions on the surface, amplified local stresses can cause further defect nucleation and propagation, such as stacking faults and 90sp° dislocations. In addition, capping layers with suitable thickness will surpress surface roughening and keep most of the strain in the film. We study surface roughening and defect formation by conducting controlled annealing experiments on initially flat and defect free films grown by LPCVD in a hydrogen ambient. We study films with both subcritical and supercritical thicknesses. In addition, we compare the relaxation behaviour of capped and uncapped films where surface roughening was inhibited in films with a capping layer. TEM and AFM studies were conducted to study the morphology and microstructure of these films. X-ray diffraction measurements were made to determine the amount of strain relaxation in these films. Further studies of surface roughening on heteroepitaxial films under a positive biaxial stress have shown that, morphological evolution occurs regardless of the sign of stress in the film. Finally, we have studied surface roughening processes in real time by conducting in-situ TEM experiments. We have observed that the kinetics of roughening depend strongly on the annealing ambient.

Transmission electron microscopy study of microstructural properties and dislocation characterization in the GaN film grown on the cone-shaped patterned Al2O3 substrate.

PubMed

Park, Jung Sik; Yang, Jun-Mo; Park, Kyung Jin; Park, Yun Chang; Yoo, Jung Ho; Jeong, Chil Seong; Park, Jucheol; He, Yinsheng; Shin, Keesam

2014-02-01

Growing a GaN film on a patterned Al2O3 substrate is one of the methods of reducing threading dislocations (TDs), which can significantly deteriorate the performance of GaN-based LEDs. In this study, the microstructural details of the GaN film grown on a cone-shaped patterned Al2O3 substrate were investigated using high-resolution transmission electron microscopy and weak-beam dark-field techniques. Various defects such as misfit dislocations (MDs), recrystallized GaN (R-GaN) islands and nano-voids were observed on the patterned Al2O3 surfaces, i.e. the flat surface (FS), the inclined surface (IS) and the top surface (TS), respectively. Especially, the crystallographic orientation of R-GaN between the GaN film and the inclined Al2O3 substrate was identified as $[\\overline 1 2\\overline 1 0]_{{\\rm GaN}} \\hbox{//}[\\overline 1 101]_{{\\rm R - GaN} \\,{\\rm on}\\,{\\rm IS}} \\hbox{//}[\\overline 1 100]_{ {{\\rm Al}} _{\\rm 2} {\\rm O}_{\\rm 3}} $, $(\\overline 1 012)_{{\\rm GaN}} \\hbox{//}(1\\overline 1 02)_{{\\rm R - Ga}\\,{\\rm Non}\\,{\\rm IS}} \\hbox{//}(\\overline {11} 26)_{ {{\\rm Al}} _{\\rm 2} {\\rm O}_{\\rm 3}} $. In addition, a rotation by 9° between $(10\\overline 1 1)_{{\\rm R - GaN}} $ and $(0002)_{{\\rm GaN}} $ and between $(10\\overline 1 1)_{{\\rm R - GaN}} $ and $(0006)_{ {{\\rm Al}} _{\\rm 2} {\\rm O}_{\\rm 3}} $ was found to reduce the lattice mismatch between the GaN film and the Al2O3 substrate. Many TDs in the GaN film were observed on the FS and TS of Al2O3. However, few TDs were observed on the IS. Most of the TDs generated from the FS of Al2O3 were bent to the inclined facet rather than propagating to the GaN surface, resulting in a reduction in the dislocation density. Most of the TDs generated from the TS of Al2O3 were characterized as edge dislocations.

AFM study of the plastic deformation behavior of poly-synthetically-twinned (PST) titanium aluminide crystals

NASA Astrophysics Data System (ADS)

Chen, Yali

The plastic deformation behavior of PST TiAl crystals was investigated using AFM techniques to reveal the effects of lamellar structure on the deform mechanisms of two-phase TiAl materials. PST crystals with a nominal composition of Ti52Al48 (atomic percent) were grown by the floating zone method and at various orientations deformed in compression at room temperature. Atomic Force Microscopy (AFM) was employed to investigate the deformation structure on the free surfaces. The deformation of the PST crystals is highly anisotropic and the deformation mechanism changes dramatically with sample orientation. When the angle between the loading axis and the lamellar interfaces is below 20°, the gamma lamellae deform by dislocation slip and twinning on planes oblique to the lamellar interfaces, but the Burgers vectors or the resultant shear vectors are parallel to the lamellar interfaces inside each lamella. When the angle is between 20° and 80° the gamma phase deforms by shear on planes parallel to the lamellar interfaces. Some domains deform by a combination of ordinary dislocation slip and twinning. In the domains where twinning cannot be activated, slip occurs by ordinary dislocations or superdislocations. When the loading axis is nearly perpendicular to the lamellar interfaces ordinary dislocation slip and twinning on slip planes inclined with the lamellar interfaces are dominant and the shear is trans-lamellar. The three deformation modes are termed as A, B and N type deformation modes respectively. In the A type mode the alpha2 lamellae concomitantly deform by prismatic slip. In the other two modes, the alpha2 phase does not deform and acts as strong obstacles to the transfer of deformation. Abundant misfit dislocations are emitted from the lamellar interfaces which is beneficial for the plastic deformation. On the other hand, the lamellar interfaces strongly impede trans-lamellar deformation and channel the deformation inside each lamella. The inhomogeneous coherency stresses at the lamellar interfaces also lead to heterogeneous deformation of PST crystals. The deformation behavior of the lamellar grains produces remarkable strain incompatibility in lamellar polycrystals and deteriorates the deformability.

Influences of misfit strains on liquid phase heteroepitaxial growth

NASA Astrophysics Data System (ADS)

Lu, Yanli; Peng, Yingying; Yu, Genggeng; Chen, Zheng

2017-10-01

Influences of misfit strains with different signs on liquid phase heteroepitaxial growth are studied by binary phase field crystal model. It is amazing to find that double islands are formed because of lateral and vertical separation. The morphological evolution of epitaxial layer depends on signs of misfit strains. The maximum atomic layer thickness of double islands under negative misfit strain is larger than that of under positive misfit strain at the same evolutional time, and size differences between light and dark islands is much smaller under negative misfit strain than that of under positive misfit strain. In addition, concentration field and density field approximately have similar variational law along x direction under the same misfit strain but show opposite variational trend under misfit strains with different signs. Generally, free energy of epitaxial growth systems keeps similar variational trend under misfit strains with different signs.

IR-LTS a powerful non-invasive tool to observe crystal defects in as-grown silicon, after device processing, and in heteroepitaxial layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kissinger, G.; Richter, H.; Vanhellemont, J.

1996-12-01

One of the main advantages of infrared light scattering tomography (IR-LST) is the wide range of defect densities that can be studied using this technique. As-grown defects of low density and very small size as well as oxygen precipitation related defects that appear in densities up to some 1010 cm{sup -3} can be observed. As-grown wafers with a {open_quotes}stacking fault ring{close_quotes} were investigated in order to correlate the defects observed by IR-LST with the results of Secco etching and alcaline cleaning solution (SC1) treatment revealing flow pattern defects (FPDs) and crystal originated particles (COPs), respectively. These wafers were studied aftermore » a wet oxidation at 1100{degrees}C for 100 min. In processed CZ silicon wafers it was possible to identify stacking faults and prismatic punching systems directly from the IR-LST image. Brewster angle illumination is a special mode to reveal defects in epitaxial layers in a non-destructive way. Misfit dislocations in the interface between a Ge{sub 0.92}Si{sub 0.08} layer and a silicon substrate were studied using this mode that allows to observe very low dislocation densities.« less

Defects, strain relaxation, and compositional grading in high indium content InGaN epilayers grown by molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bazioti, C.; Kehagias, Th.; Pavlidou, E.

2015-10-21

We investigate the structural properties of a series of high alloy content InGaN epilayers grown by plasma-assisted molecular beam epitaxy, employing the deposition temperature as variable under invariant element fluxes. Using transmission electron microscopy methods, distinct strain relaxation modes were observed, depending on the indium content attained through temperature adjustment. At lower indium contents, strain relaxation by V-pit formation dominated, with concurrent formation of an indium-rich interfacial zone. With increasing indium content, this mechanism was gradually substituted by the introduction of a self-formed strained interfacial InGaN layer of lower indium content, as well as multiple intrinsic basal stacking faults andmore » threading dislocations in the rest of the film. We show that this interfacial layer is not chemically abrupt and that major plastic strain relaxation through defect introduction commences upon reaching a critical indium concentration as a result of compositional pulling. Upon further increase of the indium content, this relaxation mode was again gradually succeeded by the increase in the density of misfit dislocations at the InGaN/GaN interface, leading eventually to the suppression of the strained InGaN layer and basal stacking faults.« less

High power cascaded mid-infrared InAs/GaSb light emitting diodes on mismatched GaAs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Provence, S. R., E-mail: sydney-provence@uiowa.edu; Ricker, R.; Aytac, Y.

2015-09-28

InAs/GaSb mid-wave, cascaded superlattice light emitting diodes are found to give higher radiance when epitaxially grown on mismatched GaAs substrates compared to lattice-matched GaSb substrates. Peak radiances of 0.69 W/cm{sup 2}-sr and 1.06 W/cm{sup 2}-sr for the 100 × 100 μm{sup 2} GaSb and GaAs-based devices, respectively, were measured at 77 K. Measurement of the recombination coefficients shows the shorter Shockley-Read-Hall recombination lifetime as misfit dislocations for growth on GaAs degrade the quantum efficiency only at low current injection. The improved performance on GaAs was found to be due to the higher transparency and improved thermal properties of the GaAs substrate.

Strain, doping, and disorder effects in GaAs/Ge/Si heterostructures: A Raman spectroscopy investigation

NASA Astrophysics Data System (ADS)

Mlayah, A.; Carles, R.; Leycuras, A.

1992-01-01

The present work is devoted to a Raman study of GaAs/Ge/Si heterostructures grown by the vapor-phase epitaxy technique. We first show that the GaAs epilayers are submitted to a biaxial tensile strain. The strain relaxation generates misfit dislocations and thus disorder effects which we analyze in terms of translational invariance loss and Raman selection rules violation. The first-order Raman spectra of annealed samples exhibit an unexpected broadband we identify as due to scattering by a coupled LO phonon-damped plasmon mode. This is corroborated by an accurate line-shape analysis which accounts for the recorded spectra and makes evident the presence of free carriers within the GaAs layers. Their density is estimated from the deduced plasmon frequency and also using a method we have presented in a previous work.

Heterostructures of metamorphic GaInAs photovoltaic converters fabricated by MOCVD on GaAs substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mintairov, S. A., E-mail: mintairov@scell.ioffe.ru; Emelyanov, V. M.; Rybalchenko, D. V.

Heterostructures of metamorphic GaInAs photovoltaic converters (PVCs) are on GaAs substrates by the metal-organic chemical vapor deposition (MOCVD) method. It is shown that using a multilayer metamorphic buffer with a step of 2.5% in indium content and layer thicknesses of 120 nm provides the high quality of bulk layers subsequently grown on the buffer up to an indium content of 24%. PVCs with a long-wavelength photosensitivity edge up to 1300 nm and a quantum efficiency of ~80% in the spectral range 1050–1100 nm are fabricated. Analysis of the open-circuit voltage of the PVCs and diffusion lengths of minority carriers inmore » the layers demonstrates that the density of misfit dislocations penetrating into the bulk layers increases at an indium content exceeding 10%.« less

Dislocation structure produced by an ultrashort shock pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuda, Tomoki, E-mail: t-matsu@mapse.eng.osaka-u.ac.jp; Hirose, Akio; Sano, Tomokazu

We found an ultrashort shock pulse driven by a femtosecond laser pulse on iron generates a different dislocation structure than the shock process which is on the nanosecond timescale. The ultrashort shock pulse produces a highly dense dislocation structure that varies by depth. According to transmission electron microscopy, dislocations away from the surface produce microbands via a network structure similar to a long shock process, but unlike a long shock process dislocations near the surface have limited intersections. Considering the dislocation motion during the shock process, the structure near the surface is attributed to the ultrashort shock duration. This approachmore » using an ultrashort shock pulse will lead to understanding the whole process off shock deformation by clarifying the early stage.« less

Strain relaxation of thick (11–22) semipolar InGaN layer for long wavelength nitride-based device

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jaehwan; Min, Daehong; Jang, Jongjin

2014-10-28

In this study, the properties of thick stress-relaxed (11–22) semipolar InGaN layers were investigated. Owing to the inclination of growth orientation, misfit dislocations (MDs) occurred at the heterointerface when the strain state of the (11–22) semipolar InGaN layers reached the critical point. We found that unlike InGaN layers based on polar and nonpolar growth orientations, the surface morphologies of the stress-relaxed (11–22) semipolar InGaN layers did not differ from each other and were similar to the morphology of the underlying GaN layer. In addition, misfit strain across the whole InGaN layer was gradually relaxed by MD formation at the heterointerface.more » To minimize the effect of surface roughness and defects in GaN layers on the InGaN layer, we conducted further investigation on a thick (11–22) semipolar InGaN layer grown on an epitaxial lateral overgrown GaN template. We found that the lateral indium composition across the whole stress-relaxed InGaN layer was almost uniform. Therefore, thick stress-relaxed (11–22) semipolar InGaN layers are suitable candidates for use as underlying layers in long-wavelength devices, as they can be used to control strain accumulation in the heterostructure active region without additional influence of surface roughness.« less

Dislocations and other topological oddities

NASA Astrophysics Data System (ADS)

Pieranski, Pawel

2016-03-01

We will show that the book Dislocations by Jacques Friedel, published half a century ago, can still be recommended, in agreement with the author's intention, as a textbook ;for research students at University and for students at engineering schools as well as for research engineers;. Indeed, today dislocations are known to occur not only in solid crystals but also in many other systems discovered more recently such as colloidal crystals or liquid crystals having periodic structures. Moreover, the concept of dislocations is an excellent starting point for lectures on topological defects occurring in systems equipped with order parameters resulting from broken symmetries: disclinations in nematic or hexatic liquid crystals, dispirations in chiral smectics or disorientations in lyotropic liquid crystals. The discussion of dislocations in Blue Phases will give us an opportunity to call on mind Sir Charles Frank, friend of Jacques Friedel since his Bristol years, who called these ephemeral mesophases ;topological oddities;. Being made of networks of disclinations, Blue Phases are similar to Twist Grain Boundary (TGB) smectic phases, which are made of networks of screw dislocations and whose existence was predicted by de Gennes in 1972 on the basis of the analogy between smectics and superconductors. We will stress that the book by Jacques Friedel contains seeds of this analogy.

Impact of IRT item misfit on score estimates and severity classifications: an examination of PROMIS depression and pain interference item banks.

PubMed

Zhao, Yue

2017-03-01

In patient-reported outcome research that utilizes item response theory (IRT), using statistical significance tests to detect misfit is usually the focus of IRT model-data fit evaluations. However, such evaluations rarely address the impact/consequence of using misfitting items on the intended clinical applications. This study was designed to evaluate the impact of IRT item misfit on score estimates and severity classifications and to demonstrate a recommended process of model-fit evaluation. Using secondary data sources collected from the Patient-Reported Outcome Measurement Information System (PROMIS) wave 1 testing phase, analyses were conducted based on PROMIS depression (28 items; 782 cases) and pain interference (41 items; 845 cases) item banks. The identification of misfitting items was assessed using Orlando and Thissen's summed-score item-fit statistics and graphical displays. The impact of misfit was evaluated according to the agreement of both IRT-derived T-scores and severity classifications between inclusion and exclusion of misfitting items. The examination of the presence and impact of misfit suggested that item misfit had a negligible impact on the T-score estimates and severity classifications with the general population sample in the PROMIS depression and pain interference item banks, implying that the impact of item misfit was insignificant. Findings support the T-score estimates in the two item banks as robust against item misfit at both the group and individual levels and add confidence to the use of T-scores for severity diagnosis in the studied sample. Recommendations on approaches for identifying item misfit (statistical significance) and assessing the misfit impact (practical significance) are given.

Determination of γ/ γ' Lattice Misfit in Ni-Based Single-Crystal Superalloys at High Temperatures by Neutron Diffraction

NASA Astrophysics Data System (ADS)

Huang, Shenyan; An, Ke; Gao, Yan; Suzuki, Akane

2018-03-01

Constrained γ/ γ' lattice misfit as a function of temperature (room temperature, 871 °C, 982 °C, 1093 °C, and 1204 °C) is measured by neutron diffraction on the first-generation Ni-based single-crystal superalloy René N4 and second-generation superalloys René N5, CMSX4, and PWA1484. All the alloys studied show negative misfit at temperatures above 871 °C. For René N4, René N5, and PWA1484, the misfit becomes less negative at temperatures above 1093 °C, possibly due to either the chemistry effect or internal stress relaxation. The magnitude of the misfit shows a qualitative agreement with Caron's misfit model based on Vegard's coefficients. The Re-free alloy René N4 was found to have a larger γ lattice parameter and γ/ γ' misfit due to higher fractions of Cr, Ti, and Mo. After 100 hours of annealing at high temperatures, René N5 shows a more negative misfit than the misfit after the standard heat treatment.

Generating Seismograms with Deep Neural Networks

NASA Astrophysics Data System (ADS)

Krischer, L.; Fichtner, A.

2017-12-01

The recent surge of successful uses of deep neural networks in computer vision, speech recognition, and natural language processing, mainly enabled by the availability of fast GPUs and extremely large data sets, is starting to see many applications across all natural sciences. In seismology these are largely confined to classification and discrimination tasks. In this contribution we explore the use of deep neural networks for another class of problems: so called generative models.Generative modelling is a branch of statistics concerned with generating new observed data samples, usually by drawing from some underlying probability distribution. Samples with specific attributes can be generated by conditioning on input variables. In this work we condition on seismic source (mechanism and location) and receiver (location) parameters to generate multi-component seismograms.The deep neural networks are trained on synthetic data calculated with Instaseis (http://instaseis.net, van Driel et al. (2015)) and waveforms from the global ShakeMovie project (http://global.shakemovie.princeton.edu, Tromp et al. (2010)). The underlying radially symmetric or smoothly three dimensional Earth structures result in comparatively small waveform differences from similar events or at close receivers and the networks learn to interpolate between training data samples.Of particular importance is the chosen misfit functional. Generative adversarial networks (Goodfellow et al. (2014)) implement a system in which two networks compete: the generator network creates samples and the discriminator network distinguishes these from the true training examples. Both are trained in an adversarial fashion until the discriminator can no longer distinguish between generated and real samples. We show how this can be applied to seismograms and in particular how it compares to networks trained with more conventional misfit metrics. Last but not least we attempt to shed some light on the black-box nature of neural networks by estimating the quality and uncertainties of the generated seismograms.

Local electrical properties of n-AlInAs/i-GaInAs electron channel structures characterized by the probe-electron-beam-induced current technique.

PubMed

Watanabe, Kentaro; Nokuo, Takeshi; Chen, Jun; Sekiguchi, Takashi

2014-04-01

We developed a probe-electron-beam-induced current (probe-EBIC) technique to investigate the electrical properties of n-Al(0.48)In(0.52)As/i-Ga(0.30)In(0.70)As electron channel structures for a high-electron-mobility transistor, grown on a lattice-matched InP substrate and lattice-mismatched GaAs (001) and Si (001) substrates. EBIC imaging of planar surfaces at low magnifications revealed misfit dislocations originating from the AlInAs-graded buffer layer. The cross-sections of GaInAs channel structures on an InP substrate were studied by high-magnification EBIC imaging as well as cathodoluminescence (CL) spectroscopy. EBIC imaging showed that the structure is nearly defect-free and the carrier depletion zone extends from the channel toward the i-AlInAs buffer layer.

Graphite, graphene and the flat band superconductivity

NASA Astrophysics Data System (ADS)

Volovik, G. E.

2018-04-01

Superconductivity has been observed in bilayer graphene [1,2]. The main factor, which determines the mechanism of the formation of this superconductivity is the "magic angle" of twist of two graphene layers, at which the electronic band structure becomes nearly flat. The specific role played by twist and by the band flattening, has been earlier suggested for explanations of the signatures of room-temperature superconductivity observed in the highly oriented pyrolytic graphite (HOPG), when the quasi two-dimensional interfaces between the twisted domains are present. The interface contains the periodic array of misfit dislocations (analogs of the boundaries of the unit cell of the Moire superlattice in bilayer graphene), which provide the possible source of the flat band. This demonstrates that it is high time for combination of the theoretical and experimental efforts in order to reach the reproducible room-temperature superconductivity in graphite or in similar real or artificial materials.

Strain Accommodation By Facile WO6 Octahedral Distortion and Tilting During WO3 Heteroepitaxy on SrTiO3(001)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, Yingge; Gu, Meng; Varga, Tamas

2014-08-27

In this paper, we show that compared to other BO6 octahedra in ABO3 structured perovskite oxides, the WO6 octahedra in tungsten trioxide (WO3) can withstand a much larger degree of distortion and tilting to accommodate interfacial strain, which in turn strongly impact the nucleation, structure, and defect formation during the epitaxial growth of WO3 on SrTiO3(001). A meta-stable tetragonal phase can be stabilized by epitaxy and a thickness dependent phase transition (tetragonal to monoclinic) is observed. In contrast to misfit dislocations to accommodate the interfacial stain, the facial WO6 octahedral distortion and tilting give rise to three types of planarmore » defects that affect more than 15 monolayers from the interface. These atomically resolved, unusual interfacial defects may significantly alter the electronic, electrochromic, and mechanical properties of the epitaxial films.« less

Growth and relaxation processes in Ge nanocrystals on free-standing Si(001) nanopillars.

PubMed

Kozlowski, G; Zaumseil, P; Schubert, M A; Yamamoto, Y; Bauer, J; Schülli, T U; Tillack, B; Schroeder, T

2012-03-23

We study the growth and relaxation processes of Ge crystals selectively grown by chemical vapour deposition on free-standing 90 nm wide Si(001) nanopillars. Epi-Ge with thickness ranging from 4 to 80 nm was characterized by synchrotron based x-ray diffraction and transmission electron microscopy. We found that the strain in Ge nanostructures is plastically released by nucleation of misfit dislocations, leading to degrees of relaxation ranging from 50 to 100%. The growth of Ge nanocrystals follows the equilibrium crystal shape terminated by low surface energy (001) and {113} facets. Although the volumes of Ge nanocrystals are homogeneous, their shape is not uniform and the crystal quality is limited by volume defects on {111} planes. This is not the case for the Ge/Si nanostructures subjected to thermal treatment. Here, improved structure quality together with high levels of uniformity of the size and shape is observed.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes

NASA Astrophysics Data System (ADS)

Rosa, Barbara L. T.; Marçal, Lucas A. B.; Ribeiro Andrade, Rodrigo; Dornellas Pinto, Luciana; Rodrigues, Wagner N.; Lustoza Souza, Patrícia; Pamplona Pires, Mauricio; Wagner Nunes, Ricardo; Malachias, Angelo

2017-07-01

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the <110> directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Observation of partial relaxation mechanisms via anisotropic strain relief on epitaxial islands using semiconductor nanomembranes.

PubMed

Rosa, Barbara L T; Marçal, Lucas A B; Andrade, Rodrigo Ribeiro; Pinto, Luciana Dornellas; Rodrigues, Wagner N; Souza, Patrícia Lustoza; Pires, Mauricio Pamplona; Nunes, Ricardo Wagner; Malachias, Angelo

2017-07-28

In this work we attempt to directly observe anisotropic partial relaxation of epitaxial InAs islands using transmission electron microscopy (TEM) and synchrotron x-ray diffraction on a 15 nm thick InAs:GaAs nanomembrane. We show that under such conditions TEM provides improved real-space statistics, allowing the observation of partial relaxation processes that were not previously detected by other techniques or by usual TEM cross section images. Besides the fully coherent and fully relaxed islands that are known to exist above previously established critical thickness, we prove the existence of partially relaxed islands, where incomplete 60° half-loop misfit dislocations lead to a lattice relaxation along one of the 〈110〉 directions, keeping a strained lattice in the perpendicular direction. Although individual defects cannot be directly observed, their implications to the resulting island registry are identified and discussed within the frame of half-loops propagations.

Three-dimensional finite element analysis of vertical and angular misfit in implant-supported fixed prostheses.

PubMed

Assunção, Wirley Gonçalves; Gomes, Erica Alves; Rocha, Eduardo Passos; Delben, Juliana Aparecida

2011-01-01

Three-dimensional finite element analysis was used to evaluate the effect of vertical and angular misfit in three-piece implant-supported screw-retained fixed prostheses on the biomechanical response in the peri-implant bone, implants, and prosthetic components. Four three-dimensional models were fabricated to represent a right posterior mandibular section with one implant in the region of the second premolar (2PM) and another in the region of the second molar (2M). The implants were splinted by a three-piece implant-supported metal-ceramic prosthesis and differed according to the type of misfit, as represented by four different models: Control = prosthesis with complete fit to the implants; UAM (unilateral angular misfit) = prosthesis presenting unilateral angular misfit of 100 μm in the mesial region of the 2M; UVM (unilateral vertical misfit) = prosthesis presenting unilateral vertical misfit of 100 μm in the mesial region of the 2M; and TVM (total vertical misfit) = prosthesis presenting total vertical misfit of 100 μm in the platform of the framework in the 2M. A vertical load of 400 N was distributed and applied on 12 centric points by the software Ansys, ie, a vertical load of 150 N was applied to each molar in the prosthesis and a vertical load of 100 N was applied at the 2PM. The stress values and distribution in peri-implant bone tissue were similar for all groups. The models with misfit exhibited different distribution patterns and increased stress magnitude in comparison to the control. The highest stress values in group UAM were observed in the implant body and retention screw. The groups UVM and TVM exhibited high stress values in the platform of the framework and the implant hexagon, respectively. The three types of misfit influenced the magnitude and distribution of stresses. The influence of misfit on peri-implant bone tissue was modest. Each type of misfit increased the stress values in different regions of the system.

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE PAGES

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen; ...

2016-12-14

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Chemical and morphological characterization of III-V strained layered heterostructures

NASA Astrophysics Data System (ADS)

Gray, Allen Lindsay

This dissertation describes investigations into the chemical and morphological characterization of III-V strained layered heterostructures by high-resolution x-ray diffraction. The purpose of this work is two-fold. The first was to use high-resolution x-ray diffraction coupled with transmission electron microscopy to characterize structurally a quaternary AlGaAsSb/InGaAsSb multiple quantum well heterostructure laser device. A method for uniquely determining the chemical composition of the strain quaternary quantum well, information previously thought to be unattainable using high resolution x-ray diffraction is thoroughly described. The misconception that high-resolution x-ray diffraction can separately find the well and barrier thickness of a multi-quantum well from the pendellosung fringe spacing is corrected, and thus the need for transmission electron microscopy is motivated. Computer simulations show that the key in finding the well composition is the intensity of the -3rd order satellite peaks in the diffraction pattern. The second part of this work addresses the evolution of strain relief in metastable multi-period InGaAs/GaAs multi-layered structures by high-resolution x-ray reciprocal space maps. Results are accompanied by transmission electron and differential contrast microscopy. The evolution of strain relief is tracked from a coherent "pseudomorphic" growth to a dislocated state as a function of period number by examining the x-ray diffuse scatter emanating from the average composition (zeroth-order) of the multi-layer. Relaxation is determined from the relative positions of the substrate with respect to the zeroth-order peak. For the low period number, the diffuse scatter from the multi-layer structure region arises from periodic, coherent crystallites. For the intermediate period number, the displacement fields around the multi-layer structure region transition to random coherent crystallites. At the higher period number, displacement fields of overlapping dislocations from relaxation of the random crystallites cause the initial stages of relaxation of the multi-layer structure. At the highest period number studied, relaxation of the multi-layer structure becomes bi-modal characterized by overlapping dislocations caused by mosaic block relaxation and periodically spaced misfit dislocations formed by 60°-type dislocations. The relaxation of the multi-layer structure has an exponential dependence on the diffuse scatter length-scale, which is shown to be a sensitive measure of the onset of relaxation.

Dislocation evolution in 316 L stainless steel during multiaxial ratchetting deformation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong Yawei; Kang Guozheng, E-mail: guozhengkang@yahoo.com.cn; Liu Yujie

2012-03-15

Dislocation patterns and their evolutions in 316 L stainless steel during the multiaxial ratchetting deformation were observed by transmission electron microscopy (TEM). The microscopic observations indicate that the dislocation evolution presented during the multiaxial ratchetting with four kinds of multiaxial loading paths is similar to that in the uniaxial case [G. Z. Kang et al., Mater Sci Eng A 527 (2010) 5952]. That is, dislocation networks and dislocation tangles are formed quickly by the multiple-slip and cross-slip of dislocation activated by applied multiaxial stress; and then polarized patterns such as dislocation walls and elongated incipient dislocation cells are formed atmore » the last stage of multiaxial ratchetting. The dislocation patterns evolve more quickly from the modes at low dislocation density to the ones at high density during the multiaxial ratchetting than that in the uniaxial case, and some traces of multiple-slip are observed in the multiaxial ones. The dislocation evolution during the multiaxial ratchetting deformation is summarized by comparing the observed dislocation patterns with those presented in the multiaxial strain-controlled and symmetrical stress-controlled cyclic tests. The multiaxial ratchetting of 316 L stainless steel can be microscopically and qualitatively explained by the observed evolution of dislocation patterns. - Highlights: Black-Right-Pointing-Pointer Dislocation patterns change from lines and nets to tangles, walls and cells. Black-Right-Pointing-Pointer Dislocation patterns evolve quicker in the multiaxial case. Black-Right-Pointing-Pointer Aligned dislocation arrays and some traces of multiple slips are observed. Black-Right-Pointing-Pointer Heterogeneous dislocation patterns result in the multiaxial ratchetting.« less

Sessile dislocations by reactions in NiAl severely deformed at room temperature

DOE PAGES

Geist, D.; Gammer, C.; Rentenberger, C.; ...

2015-02-05

B2 ordered NiAl is known for its poor room temperature (RT) ductility; failure occurs in a brittle like manner even in ductile single crystals deforming by single slip. In the present study NiAl was severely deformed at RT using the method of high pressure torsion (HPT) enabling the hitherto impossible investigation of multiple slip deformation. Methods of transmission electron microscopy were used to analyze the dislocations formed by the plastic deformation showing that as expected dislocations with Burgers vector a(100) carry the plasticity during HPT deformation at RT. In addition, we observe that they often form a(110) dislocations by dislocationmore » reactions; the a(110) dislocations are considered to be sessile based on calculations found in the literature. It is therefore concluded that the frequently encountered 3D dislocation networks containing sessile a(110) dislocations are pinned and lead to deformation-induced embrittlement. In spite of the severe deformation, the chemical order remains unchanged.« less

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy

DOE PAGES

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; ...

2017-02-20

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dualmore » function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.« less

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy

PubMed Central

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; Gludovatz, Bernd; Zhang, Ze; George, Easo P.; Yu, Qian; Mao, Scott X.; Ritchie, Robert O.

2017-01-01

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dual function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness. PMID:28218267

Dislocation mechanisms and 3D twin architectures generate exceptional strength-ductility-toughness combination in CrCoNi medium-entropy alloy.

PubMed

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie; Gludovatz, Bernd; Zhang, Ze; George, Easo P; Yu, Qian; Mao, Scott X; Ritchie, Robert O

2017-02-20

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dual function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.

MOCVD growth of gallium nitride with indium surfactant

NASA Astrophysics Data System (ADS)

Won, Dong Jin

In this thesis research, the effect of indium surfactant on Ga-polar and N-polar GaN films grown at 950 °C by MOCVD on various substrates such as Si-face SiC, bulk GaN, Si(111), and C-face SiC was studied to investigate the stress relaxation mechanism, structural, and optical properties of GaN films which were modified by the indium surfactant. The effect of indium surfactant on GaN films grown on SiC was studied first. In the 1.8 microm thick Ga-polar GaN films grown on lattice-mismatched Si-face SiC substrates utilizing indium surfactant at 950 °C, inverted hexagonal pyramid surface defects, so-called V-defects which consist of six (1011) planes, formed at threading dislocations on the GaN surface, which gave rise to the relaxation of compressive misfit stress in an elastic way. Simultaneously, enhanced surface mobility of Ga and N adatoms with indium surfactant lead to improved 2D growth, which may be contradictory to the formation of surface defects like V-defects. In order to find the driving force for V-defect formation in the presence of indium, a nucleation and growth model was developed, taking into consideration the strain, surface, and dislocation energies modified by indium surfactant. This model found that the V-defect formation can be energetically preferred since indium reduces the surface energy of the (1011) plane, which gives rise to the V-defect formation and growth that can overcome the energy barrier at the critical radius of the V-defect. These Ga-polar GaN films were found to be unintentionally doped with Si. Thus, an investigation into the effect of intentional Si doping at a constant TMIn flow rate on GaN films was also performed. Si turned out to be another important factor in the generation of V-defects because Si may be captured at the threading dislocation cores by forming Si -- N bonds, acting as a mask to locally prevent GaN growth. This behavior appeared to assist the initiation of the V-defect which enables V-defects to easily grow beyond the critical radius. Thus, introduction of indium surfactant and Si doping was found to be the most favorable conditions for V-defect formation in Ga-polar GaN films grown on Si-face SiC substrates. The nucleation and growth model predicted that V-defects may not form in homoepitaxy because the energy barrier for V-defect formation approaches infinity due to zero misfit stress. When indium surfactant and Si dopant were introduced simultaneously during the homoepitaxial growth, V-defects did not form in 1.8 microm thick Ga-polar GaN films grown at 950 °C on bulk GaN that had very low threading dislocation density, as predicted by the nucleation and growth model. Ga-polar GaN films grown on Si(111) substrates using indium surfactant showed that additional tensile stress was induced by indium with respect to the reference GaN. Since cracking is known to be a stress relaxation mechanism for tension, the In-induced additional tensile stress is thus detrimental to the GaN films which experience the tensile thermal stress associated with the difference in coefficient of thermal expansion between GaN and the substrate during cooling after growth. The generation of tensile stress by indium seemed correlated with a reduction of V-defects since a high density of V-defects formed under the initial compressive stress at the GaN nucleation stage and then V-defect density decreased as the film grew. Even though the initial misfit stress of the GaN film grown on Si(111) was lower than that of GaN grown on SiC, a high density of V-defects were created under the initial compressive stress. Therefore, the high density of threading dislocations was believed to strongly drive the V-defect formation under In-rich conditions. Consequently, without using high quality bulk GaN substrates, V-defects could not be avoided in Ga-polar GaN films grown on foreign substrates such as Si-face SiC and Si(111) in the presence of indium surfactant and Si dopants during growth. Thus, N-polar GaN films were investigated using vicinal C-face SiC substrates because a theoretical study utilizing first-principles calculations predicted that V-defects are not energetically favored on the N-face GaN. When indium surfactant and Si doping were used during N-polar GaN growth, V-defects did not form, as predicted by theory. This observation suggests that V-defect free N-polar InGaN alloys also can be achieved, which may enable stable green laser diodes with long lifetime to be fabricated using the high indium composition N-polar InGaN films. (Abstract shortened by UMI.)

Creep Deformation by Dislocation Movement in Waspaloy

PubMed Central

Whittaker, Mark; Harrison, Will; Deen, Christopher; Rae, Cathie; Williams, Steve

2017-01-01

Creep tests of the polycrystalline nickel alloy Waspaloy have been conducted at Swansea University, for varying stress conditions at 700 °C. Investigation through use of Transmission Electron Microscopy at Cambridge University has examined the dislocation networks formed under these conditions, with particular attention paid to comparing tests performed above and below the yield stress. This paper highlights how the dislocation structures vary throughout creep and proposes a dislocation mechanism theory for creep in Waspaloy. Activation energies are calculated through approaches developed in the use of the recently formulated Wilshire Equations, and are found to differ above and below the yield stress. Low activation energies are found to be related to dislocation interaction with γ′ precipitates below the yield stress. However, significantly increased dislocation densities at stresses above yield cause an increase in the activation energy values as forest hardening becomes the primary mechanism controlling dislocation movement. It is proposed that the activation energy change is related to the stress increment provided by work hardening, as can be observed from Ti, Ni and steel results. PMID:28772421

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Ning; Shen, Tielong; Kurtz, Richard

The properties of nano-scale interstitial dislocation loops under the coupling effect of stress and temperature are studied using atomistic simulation methods and experiments. The decomposition of a loop by the emission of smaller loops is identified as one of the major mechanisms to release the localized stress induced by the coupling effect, which is validated by the TEM observations. The classical conservation law of Burgers vector cannot be applied during such decomposition process. The dislocation network is formed from the decomposed loops, which may initiate the irradiation creep much earlier than expected through the mechanism of climb-controlled glide of dislocations.

Three-dimensional imaging of dislocation propagation during crystal growth and dissolution

PubMed Central

Schenk, Anna S.; Kim, Yi-Yeoun; Kulak, Alexander N.; Campbell, James M.; Nisbet, Gareth; Meldrum, Fiona C.; Robinson, Ian K.

2015-01-01

Atomic level defects such as dislocations play key roles in determining the macroscopic properties of crystalline materials 1,2. Their effects range from increased chemical reactivity 3,4 to enhanced mechanical properties 5,6. Dislocations have been widely studied using traditional techniques such as X-ray diffraction and optical imaging. Recent advances have enabled atomic force microscopy to study single dislocations 7 in two-dimensions (2D), while transmission electron microscopy (TEM) can now visualise strain fields in three-dimensions (3D) with near atomic resolution 8–10. However, these techniques cannot offer 3D imaging of the formation or movement of dislocations during dynamic processes. Here, we describe how Bragg Coherent Diffraction Imaging (BCDI) 11,12 can be used to visualize in 3D, the entire network of dislocations present within an individual calcite crystal during repeated growth and dissolution cycles. These investigations demonstrate the potential of BCDI for studying the mechanisms underlying the response of crystalline materials to external stimuli. PMID:26030304

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy.

PubMed

Okamoto, Norihiko L; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M T; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P

2016-10-24

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33-43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of -0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5-4.5 nm near the screw orientation to ~5-8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m 2 . Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20-50 at.%, and atomic size misfit of ~4%.

Size effect, critical resolved shear stress, stacking fault energy, and solid solution strengthening in the CrMnFeCoNi high-entropy alloy

PubMed Central

Okamoto, Norihiko L.; Fujimoto, Shu; Kambara, Yuki; Kawamura, Marino; Chen, Zhenghao M. T.; Matsunoshita, Hirotaka; Tanaka, Katsushi; Inui, Haruyuki; George, Easo P.

2016-01-01

High-entropy alloys (HEAs) comprise a novel class of scientifically and technologically interesting materials. Among these, equatomic CrMnFeCoNi with the face-centered cubic (FCC) structure is noteworthy because its ductility and strength increase with decreasing temperature while maintaining outstanding fracture toughness at cryogenic temperatures. Here we report for the first time by single-crystal micropillar compression that its bulk room temperature critical resolved shear stress (CRSS) is ~33–43 MPa, ~10 times higher than that of pure nickel. CRSS depends on pillar size with an inverse power-law scaling exponent of –0.63 independent of orientation. Planar ½ < 110 > {111} dislocations dissociate into Shockley partials whose separations range from ~3.5–4.5 nm near the screw orientation to ~5–8 nm near the edge, yielding a stacking fault energy of 30 ± 5 mJ/m2. Dislocations are smoothly curved without any preferred line orientation indicating no significant anisotropy in mobilities of edge and screw segments. The shear-modulus-normalized CRSS of the HEA is not exceptionally high compared to those of certain concentrated binary FCC solid solutions. Its rough magnitude calculated using the Fleischer/Labusch models corresponds to that of a hypothetical binary with the elastic constants of our HEA, solute concentrations of 20–50 at.%, and atomic size misfit of ~4%. PMID:27775026

Dislocation substructure of mantle-derived olivine as revealed by selective chemical etching and transmission electron microscopy

USGS Publications Warehouse

Kirby, S.H.; Wegner, M.W.

1978-01-01

Cleaved and mechanically polished surfaces of olivine from peridotite xenoliths from San Carlos, Arizona, were chemically etched using the techniques of Wegner and Christie (1974). Dislocation etch pits are produced on all surface orientations and they tend to be preferentially aligned along the traces of subgrain boundaries, which are approximately parallel to (100), (010), and (001). Shallow channels were also produced on (010) surfaces and represent dislocations near the surface that are etched out along their lengths. The dislocation etch channel loops are often concentric, and emanate from (100) subgrain boundaries, which suggests that dislocation sources are in the boundaries. Data on subgrain misorientation and dislocation line orientation and arguments based on subgrain boundary energy minimization are used to characterize the dislocation structures of the subgrain boundaries. (010) subgrain boundaries are of the twist type, composed of networks of [100] and [001] screw dislocations. Both (100) and (001) subgrain boundaries are tilt walls composed of arrays of edge dislocation with Burgers vectors b=[100] and [001], respectively. The inferred slip systems are {001} ???100???, {100} ???001???, and {010} ???100??? in order of diminishing importance. Exploratory transmission electron microscopy is in accord with these identifications. The flow stresses associated with the development of the subgrain structure are estimated from the densities of free dislocations and from the subgrain dimensions. Inferred stresses range from 35 to 75 bars using the free dislocation densities and 20 to 100 bars using the subgrain sizes. ?? 1978 Springer-Verlag.

Effects of gap junction inhibition on contraction waves in the murine small intestine in relation to coupled oscillator theory.

PubMed

Parsons, Sean P; Huizinga, Jan D

2015-02-15

Waves of contraction in the small intestine correlate with slow waves generated by the myenteric network of interstitial cells of Cajal. Coupled oscillator theory has been used to explain steplike gradients in the frequency (frequency plateaux) of contraction waves along the length of the small intestine. Inhibition of gap junction coupling between oscillators should lead to predictable effects on these plateaux and the wave dislocation (wave drop) phenomena associated with their boundaries. It is these predictions that we wished to test. We used a novel multicamera diameter-mapping system to measure contraction along 25- to 30-cm lengths of murine small intestine. There were typically two to three plateaux per length of intestine. Dislocations could be limited to the wavefronts immediately about the terminated wave, giving the appearance of a three-pronged fork, i.e., a fork dislocation; additionally, localized decreases in velocity developed across a number of wavefronts, ending with the terminated wave, which could appear as a fork, i.e., slip dislocations. The gap junction inhibitor carbenoxolone increased the number of plateaux and dislocations and decreased contraction wave velocity. In some cases, the usual frequency gradient was reversed, with a plateau at a higher frequency than its proximal neighbor; thus fork dislocations were inverted, and the direction of propagation was reversed. Heptanol had no effect on the frequency or velocity of contractions but did reduce their amplitude. To understand intestinal motor patterns, the pacemaker network of the interstitial cells of Cajal is best evaluated as a system of coupled oscillators. Copyright © 2015 the American Physiological Society.

Effect of surface on the dissociation of perfect dislocations into Shockley partials describing the herringbone Au(1\\xA01\\xA01) surface reconstruction

NASA Astrophysics Data System (ADS)

Ait-Oubba, A.; Coupeau, C.; Durinck, J.; Talea, M.; Grilhé, J.

2018-06-01

In the framework of the continuum elastic theory, the equilibrium positions of Shockley partial dislocations have been determined as a function of their distance from the free surface. It is found that the dissociation width decreases with the decreasing depth, except for a depth range very close to the free surface for which the dissociation width is enlarged. A similar behaviour is also predicted when Shockley dislocation pairs are regularly arranged, whatever the wavelength. These results derived from the elastic theory are compared to STM observations of the reconstructed (1 1 1) surface in gold, which is usually described by a Shockley dislocations network.

Precipitation Behavior of Magnesium Alloys Containing Neodymium and Yttrium

NASA Astrophysics Data System (ADS)

Solomon, Ellen L. S.

Magnesium is the lightest of the structural metals and has great potential for reducing the weight of transportation systems, which in turn reduces harmful emissions and improves fuel economy. Due to the inherent softness of Mg, other elements are typically added in order to form a fine distribution of precipitates during aging, which improves the strength by acting as barriers to moving dislocations. Mg-RE alloys are unique among other Mg alloys because they form precipitates that lie parallel to the prismatic planes of the Mg matrix, which is an ideal orientation to hinder dislocation slip. However, RE elements are expensive and impractical for many commercial applications, motivating the rapid design of alternative alloy compositions with comparable mechanical properties. Yet in order to design new alloys reproducing some of the beneficial properties of Mg-RE alloys, we must first fully understand precipitation in these systems. Therefore, the main objectives of this thesis are to identify the roles of specific RE elements (Nd and Y) on precipitation and to relate the precipitate microstructure to the alloy strength. The alloys investigated in this thesis are the Mg-Nd, Mg-Y, and Mg-Y-Nd systems, which contain the main alloying elements of commercial WE series alloys (Y and Nd). In all three alloy systems, a sequence of metastable phases forms upon aging. Precipitate composition, atomic structure, morphology, and spatial distribution are strongly controlled by the elastic strain energy originating from the misfitting coherent precipitates. The dominating role that strain energy plays in these alloy systems gives rise to very unique microstructures. The evolution of the hardness and precipitate microstructure with aging revealed that metastable phases are the primary strengthening phases of these alloys, and interact with dislocations by shearing. Our understanding of precipitation mechanisms and commonalities among the Mg-RE alloys provide future avenues to apply more efficient and targeted alloy design.

Anisotropic strain relaxation in (Ba0.6Sr0.4)TiO3 epitaxial thin films

NASA Astrophysics Data System (ADS)

Simon, W. K.; Akdogan, E. K.; Safari, A.

2005-05-01

We have studied the evolution of anisotropic epitaxial strains in ⟨110⟩-oriented (Ba0.60Sr0.40)TiO3 paraelectric (m3m) thin films grown on orthorhombic (mm2) ⟨100⟩-oriented NdGaO3 by high-resolution x-ray diffractometry. All the six independent components of the three-dimensional strain tensor were measured in films with 25-1200-nm thickness, from which the principal stresses and strains were obtained. Pole figure analysis indicated that the epitaxial relations are [001]m3m‖[001]mm2 and [1¯10]m3m‖[010]mm2 in the plane of the film, and [110]m3m‖[100]mm2 along the growth direction. The dislocation system responsible for strain relief along [001] has been determined to be ∣b ∣(001)=3/4∣b∣. Strain relief along the [1¯10] direction, on the other hand, has been determined to be due to a coupled mechanism given by ∣b∣(1¯10)=∣b∣ and ∣b∣(1¯10)=√3 /4∣b∣. Critical thicknesses, as determined from nonlinear regression using the Matthews-Blakeslee equation, for misfit dislocation formation along [001] and [1¯10] direction were found to be 5 and 7 nm, respectively. The residual strain energy density was calculated as ˜2.9×106J/m3 at 25 nm, which was found to relax an order of magnitude by 200 nm. At 200 nm, the linear dislocation density along [001] and [1¯10] are ˜6.5×105 and ˜6×105cm-1, respectively. For films thicker than 600 nm, additional strain relief occurred through surface undulations, indicating that this secondary strain-relief mechanism is a volume effect that sets in upon cooling from the growth temperature.

Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

NASA Astrophysics Data System (ADS)

Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

2003-09-01

High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

Electron microscopy of iron chalcogenide FeTe(Se) films

NASA Astrophysics Data System (ADS)

Shchichko, I. O.; Presnyakov, M. Yu.; Stepantsov, E. A.; Kazakov, S. M.; Antipov, E. V.; Makarova, I. P.; Vasil'ev, A. L.

2015-05-01

The structure of Fe1 + δTe1 - x Se x films ( x = 0; 0.05) grown on single-crystal MgO and LaAlO3 substrates has been investigated by transmission and scanning transmission electron microscopy. The study of Fe1.11Te/MgO structures has revealed two crystallographic orientation relationships between the film and substrate. It is shown that the lattice mismatch between the film and substrate is compensated for by the formation of misfit dislocations. The Burgers vector projection is determined. The stresses in the film can partially be compensated for due to the formation of an intermediate disordered layer. It is shown that a FeTe0.5Se0.5 film grown on a LaAlO3 substrate is single-crystal and that the FeTe0.5Se0.5/LaAlO3 interface in a selected region is coherent. The orientation relationships between the film and substrate are also determined for this case.

Design of Al-rich AlGaN quantum well structures for efficient UV emitters

NASA Astrophysics Data System (ADS)

Funato, Mitsuru; Ichikawa, Shuhei; Kumamoto, Kyosuke; Kawakami, Yoichi

2017-02-01

The effects of the structure design of AlGaN-based quantum wells (QWs) on the optical properties are discussed. We demonstrate that to achieve efficient emission in the germicidal wavelength range (250 - 280 nm), AlxGa1-xN QWs in an AlyGa1-yN matrix (x < y) is quite effective, compared with those in an AlN matrix: Time-resolved photoluminescence and cathodoluminescence spectroscopies show that the AlyGa1-yN matrix can enhance the radiative recombination process and can prevent misfit dislocations, which act as non-radiative recombination centers, from being induced in the QW interface. As a result, the emission intensity at room temperature is about 2.7 times larger for the AlxGa1-xN QW in the AlyGa1-yN matrix than that in the AlN matrix. We also point out that further reduction of point defects is crucial to achieve an even higher emission efficiency.

Growth of quantum three-dimensional structure of InGaAs emitting at 1 μm applicable for a broadband near-infrared light source

NASA Astrophysics Data System (ADS)

Ozaki, Nobuhiko; Kanehira, Shingo; Hayashi, Yuma; Ohkouchi, Shunsuke; Ikeda, Naoki; Sugimoto, Yoshimasa; Hogg, Richard A.

2017-11-01

We obtained a high-intensity and broadband emission centered at 1 μm from InGaAs quantum three-dimensional (3D) structures grown on a GaAs substrate using molecular beam epitaxy. An InGaAs thin layer grown on GaAs with a thickness close to the critical layer thickness is normally affected by strain as a result of the lattice mismatch and introduced misfit dislocations. However, under certain growth conditions for the In concentration and growth temperature, the growth mode of the InGaAs layer can be transformed from two-dimensional to 3D growth. We found the optimal conditions to obtain a broadband emission from 3D structures with a high intensity and controlled center wavelength at 1 μm. This method offers an alternative approach for fabricating a broadband near-infrared light source for telecommunication and medical imaging systems such as for optical coherence tomography.

Artifacts introduced by ion milling in Al-Li-Cu alloys.

PubMed

Singh, A K; Imam, M A; Sadananda, K

1988-04-01

Ion milling is commonly used to prepare specimens for observation under transmission electron microscope (TEM). This technique sometimes introduces artifacts in specimens contributing to misleading interpretation of TEM results as observed in the present investigation of Al-Li-Cu alloys. This type of alloy, in general, contains several kinds of precipitates, namely delta', T1, and theta'. It is found that ion milling even for a short time produces drastic changes in the precipitate characteristics as compared to standard electropolishing methods of specimen preparation for TEM. Careful analysis of selected area diffraction patterns and micrographs shows that after ion milling delta' precipitates are very irregular, whereas other precipitates coarsen and they are surrounded by misfit dislocations. In situ hot-stage TEM experiments were performed to relate the microstructure to that observed in the ion-milled specimen. Results and causes of ion milling effects on the microstructure are discussed in relation to standard electropolishing techniques and in situ hot-stage experiment.

Quality-enhanced In{sub 0.3}Ga{sub 0.7}As film grown on GaAs substrate with an ultrathin amorphous In{sub 0.6}Ga{sub 0.4}As buffer layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Fangliang; Li, Guoqiang, E-mail: msgli@scut.edu.cn

2014-01-27

Using low-temperature molecular beam epitaxy, amorphous In{sub 0.6}Ga{sub 0.4}As layers have been grown on GaAs substrates to act as buffer layers for the subsequent epitaxial growth of In{sub 0.3}Ga{sub 0.7}As films. It is revealed that the crystallinity of as-grown In{sub 0.3}Ga{sub 0.7}As films is strongly affected by the thickness of the large-mismatched amorphous In{sub 0.6}Ga{sub 0.4}As buffer layer. Given an optimized thickness of 2 nm, this amorphous In{sub 0.6}Ga{sub 0.4}As buffer layer can efficiently release the misfit strain between the In{sub 0.3}Ga{sub 0.7}As epi-layer and the GaAs substrate, trap the threading and misfit dislocations from propagating to the following In{sub 0.3}Ga{submore » 0.7}As epi-layer, and reduce the surface fluctuation of the as-grown In{sub 0.3}Ga{sub 0.7}As, leading to a high-quality In{sub 0.3}Ga{sub 0.7}As film with competitive crystallinity to that grown on GaAs substrate using compositionally graded In{sub x}Ga{sub 1-x}As metamorphic buffer layers. Considering the complexity of the application of the conventional In{sub x}Ga{sub 1-x}As graded buffer layers, this work demonstrates a much simpler approach to achieve high-quality In{sub 0.3}Ga{sub 0.7}As film on GaAs substrate and, therefore, is of huge potential for the InGaAs-based high-efficiency photovoltaic industry.« less

Measurement of the rotational misfit and implant-abutment gap of all-ceramic abutments.

PubMed

Garine, Wael N; Funkenbusch, Paul D; Ercoli, Carlo; Wodenscheck, Joseph; Murphy, William C

2007-01-01

The specific aims of this study were to measure the implant and abutment hexagonal dimensions, to measure the rotational misfit between implant and abutments, and to correlate the dimension of the gap present between the abutment and implant hexagons with the rotational misfit of 5 abutment-implant combinations from 2 manufacturers. Twenty new externally hexed implants (n = 10 for Nobel Biocare; n = 10 for Biomet/3i) and 50 new abutments were used (n = 10; Procera Zirconia; Procera Alumina; Esthetic Ceramic Abutment; ZiReal; and GingiHue post ZR Zero Rotation abutments). The mating surfaces of all implants and abutments were imaged with a scanning electron microscope before and after rotational misfit measurements. The distances between the corners and center of the implant and abutment hexagon were calculated by entering their x and y coordinates, measured on a measuring microscope, into Pythagoras' theorem. The dimensional difference between abutment and implant hexagons was calculated and correlated with the rotational misfit, which was recorded using a precision optical encoder. Each abutment was rotated (3 times/session) clockwise and counterclockwise until binding. Analysis of variance and Student-Newman-Keuls tests were used to compare rotational misfit among groups (alpha = .05). With respect to rotational misfit, the abutment groups were significantly different from one another (P < .001), with the exception of the Procera Zirconia and Esthetic Ceramic groups (P = .4). The mean rotational misfits in degrees were 4.13 +/- 0.68 for the Procera Zirconia group, 3.92 +/- 0.62 for the Procera Alumina group, 4.10 +/- 0.67 for the Esthetic Ceramic group, 3.48 +/- 0.40 for the ZiReal group, and 1.61 +/- 0.24 for the GingiHue post ZR group. There was no correlation between the mean implant-abutment gap and rotational misfit. Within the limits of this study, machining inconsistencies of the hexagons were found for all implants and abutments tested. The GingiHue Post showed the smallest rotational misfit. All-ceramic abutments without a metal collar showed a greater rotational misfit than those with a metal collar.

Practical Consequences of Item Response Theory Model Misfit in the Context of Test Equating with Mixed-Format Test Data

PubMed Central

Zhao, Yue; Hambleton, Ronald K.

2017-01-01

In item response theory (IRT) models, assessing model-data fit is an essential step in IRT calibration. While no general agreement has ever been reached on the best methods or approaches to use for detecting misfit, perhaps the more important comment based upon the research findings is that rarely does the research evaluate IRT misfit by focusing on the practical consequences of misfit. The study investigated the practical consequences of IRT model misfit in examining the equating performance and the classification of examinees into performance categories in a simulation study that mimics a typical large-scale statewide assessment program with mixed-format test data. The simulation study was implemented by varying three factors, including choice of IRT model, amount of growth/change of examinees’ abilities between two adjacent administration years, and choice of IRT scaling methods. Findings indicated that the extent of significant consequences of model misfit varied over the choice of model and IRT scaling methods. In comparison with mean/sigma (MS) and Stocking and Lord characteristic curve (SL) methods, separate calibration with linking and fixed common item parameter (FCIP) procedure was more sensitive to model misfit and more robust against various amounts of ability shifts between two adjacent administrations regardless of model fit. SL was generally the least sensitive to model misfit in recovering equating conversion and MS was the least robust against ability shifts in recovering the equating conversion when a substantial degree of misfit was present. The key messages from the study are that practical ways are available to study model fit, and, model fit or misfit can have consequences that should be considered when choosing an IRT model. Not only does the study address the consequences of IRT model misfit, but also it is our hope to help researchers and practitioners find practical ways to study model fit and to investigate the validity of particular IRT models for achieving a specified purpose, to assure that the successful use of the IRT models are realized, and to improve the applications of IRT models with educational and psychological test data. PMID:28421011

Passive Fit in Screw Retained Multi-unit Implant Prosthesis Understanding and Achieving: A Review of the Literature.

PubMed

Buzayan, Muaiyed Mahmoud; Yunus, Norsiah Binti

2014-03-01

One of the considerable challenges for screw-retained multi-unit implant prosthesis is achieving a passive fit of the prosthesis' superstructure to the implants. This passive fit is supposed to be one of the most vital requirements for the maintenance of the osseointegration. On the other hand, the misfit of the implant supported superstructure may lead to unfavourable complications, which can be mechanical or biological in nature. The manifestations of these complications may range from fracture of various components in the implant system, pain, marginal bone loss, and even loss of osseointegration. Thus, minimizing the misfit and optimizing the passive fit should be a prerequisite for implant survival and success. The purpose of this article is to present and summarize some aspects of the passive fit achieving and improving methods. The literature review was performed through Science Direct, Pubmed, and Google database. They were searched in English using the following combinations of keywords: passive fit, implant misfit and framework misfit. Articles were selected on the basis of whether they had sufficient information related to framework misfit's related factors, passive fit and its achievement techniques, marginal bone changes relation with the misfit, implant impression techniques and splinting concept. The related references were selected in order to emphasize the importance of the passive fit achievement and the misfit minimizing. Despite the fact that the literature presents considerable information regarding the framework's misfit, there was not consistency in literature on a specified number or even a range to be the acceptable level of misfit. On the other hand, a review of the literature revealed that the complete passive fit still remains a tricky goal to be achieved by the prosthodontist.

Abutment misfit in implant-supported prostheses manufactured by casting technique: An integrative review

PubMed Central

Pereira, Lorena M. S.; Sordi, Mariane B.; Magini, Ricardo S.; Calazans Duarte, Antônio R.; M. Souza, Júlio C.

2017-01-01

The aim of this study was to perform an integrative review of the literature on the clinically usual prosthesis-abutment misfit over implant-supported structures manufactured by conventional casting technique. The present integrative review used the PRISMA methodology. A bibliographical search was conducted on the following electronic databases: MEDLINE/PubMed (National Library of Medicine), Scopus (Elsevier), ScienceDirect (Elsevier), Web of Science (Thomson Reuters Scientific), Latin American and Caribbean Center on Health Sciences Information (BIREME), and Virtual Health Library (BVS). A total of 11 relevant studies were selected for qualitative analysis. The prosthetic-abutment vertical misfit considered clinically usual ranged from 50 to 160 μm. The vertical misfit depends on several steps during technical manufacturing techniques, which includes the materials and technical procedures. Lower values in misfit are recorded when precious metal or titanium alloys are utilized. Although a vertical misfit mean value of 100 μm has been considered clinically usual, most of the previous studies included in this revision showed lower mean values. PMID:29279686

Predicted lattice-misfit stresses in a gallium-nitride (GaN) film

NASA Astrophysics Data System (ADS)

Suhir, E.; Yi, S.

2017-02-01

Effective, easy-to-use and physically meaningful analytical predictive models are developed for the evaluation the lattice-misfit stresses (LMS) in a semiconductor film grown on a circular substrate (wafer). The two-dimensional (plane-stress) theory-of-elasticity approximation (TEA) is employed. First of all, the interfacial shearing stresses are evaluated. These stresses might lead to the occurrence and growth of dislocations, as well as to possible delaminations (adhesive strength of the assembly) and the elevated stress and strain in the buffering material, if any (cohesive strength of the assembly). Second of all, the normal radial and circumferential (tangential) stresses acting in the film cross-sections are determined. These stresses determine the short- and long-term strength (fracture toughness) of the film material. It is shown that while the normal stresses in the semiconductor film are independent of its thickness, the interfacial shearing stresses increase with an increase in the induced force (not stress!) acting in the film cross-sections, and that this force increases with an increase in the film thickness. This leads, for a thick enough film, to the occurrence, growth and propagation of dislocations. These start at the assembly ends and propagate, when the film thickness increases, inwards the structure. The TEA data are compared with the results obtained using a simplified strength-of-materials approach (SMA). This approach considers, instead of an actual circular assembly, an elongated bi-material rectangular strip of unit width and of finite length equal to the wafer diameter. The analysis, although applicable to any semiconductor crystal growth (SCG) technology is geared in this analysis to the Gallium-Nitride (GaN) technology. The numerical example is carried out for a GaN film grown on a Silicon Carbide (SiC) substrate. It is concluded that the SMA model is acceptable for understanding the physics of the state of stress and for the prediction of the normal stresses acting in the major mid-portion of the assembly. The SMA model underestimates, however, the maximum interfacial shearing stress at the assembly periphery, and, because of the very nature of the SMA, is unable to address the circumferential stress. This stress can be quite high at the circular boundary of the assembly. At the assembly edge the circumferential stress is as high as σθ = (2-ν1)σ1, i.e., by the factor of 2-ν1 higher than the normal stress, σ1, in the mid-portion of the film. In this formula, ν1 is Poisson's ratio of the film material.

Slow wave contraction frequency plateaus in the small intestine are composed of discrete waves of interval increase associated with dislocations.

PubMed

Parsons, Sean P; Huizinga, Jan D

2018-06-03

What is the central question of this study? What is the nature of slow wave driven contraction frequency gradients in the small intestine? What is the main finding and its importance? Frequency plateaus are composed of discrete waves of increased interval, each wave associated with a contraction dislocation. Smooth frequency gradients are generated by localised neural modulation of wave frequency, leading to functionally important wave turbulence. Both patterns are emergent properties of a network of coupled oscillators, the interstitial cells of Cajal. A gut-wide network of interstitial cells of Cajal (ICC) generate electrical oscillations (slow waves) that orchestrate waves of muscle contraction. In the small intestine there is a gradient in slow wave frequency from high at the duodenum to low at the terminal ileum. Time-averaged measurements of frequency have suggested either a smooth or stepped (plateaued) gradient. We measured individual contraction intervals from diameter maps of the mouse small intestine to create interval maps (IMaps). IMaps showed that each frequency plateau was composed of discrete waves of increased interval. Each interval wave originated at a terminating contraction wave, a "dislocation", at the plateau's proximal boundary. In a model chain of coupled phase oscillators, interval wave frequency increased as coupling decreased or as the natural frequency gradient or noise increased. Injuring the intestine at a proximal point to destroy coupling, suppressed distal steps which then reappeared with gap junction block by carbenoxolone. This lent further support to our previous hypothesis that lines of dislocations were fixed by points of low coupling strength. Dislocations induced by electrical field pulses in the intestine and by equivalent phase shift in the model, were associated with interval waves. When the enteric nervous system was active, IMaps showed a chaotic, turbulent pattern of interval change with no frequency steps or plateaus. This probably resulted from local, stochastic release of neurotransmitters. Plateaus, dislocations, interval waves and wave turbulence arise from a dynamic interplay between natural frequency and coupling in the ICC network. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zijiao; Sheng, Hongwei; Wang, Zhangjie

Combinations of high strength and ductility are hard to attain in metals. Exceptions include materials exhibiting twinning-induced plasticity. To understand how the strength-ductility trade-off can be defeated, we apply in situ, and aberration-corrected scanning, transmission electron microscopy to examine deformation mechanisms in the medium-entropy alloy CrCoNi that exhibits one of the highest combinations of strength, ductility and toughness on record. Ab initio modelling suggests that it has negative stacking-fault energy at 0K and high propensity for twinning. With deformation we find that a three-dimensional (3D) hierarchical twin network forms from the activation of three twinning systems. This serves a dualmore » function: conventional twin-boundary (TB) strengthening from blockage of dislocations impinging on TBs, coupled with the 3D twin network which offers pathways for dislocation glide along, and cross-slip between, intersecting TB-matrix interfaces. The stable twin architecture is not disrupted by interfacial dislocation glide, serving as a continuous source of strength, ductility and toughness.« less

Kinematic assumptions and their consequences on the structure of field equations in continuum dislocation theory

NASA Astrophysics Data System (ADS)

Silbermann, C. B.; Ihlemann, J.

2016-03-01

Continuum Dislocation Theory (CDT) relates gradients of plastic deformation in crystals with the presence of geometrically necessary dislocations. Therefore, the dislocation tensor is introduced as an additional thermodynamic state variable which reflects tensorial properties of dislocation ensembles. Moreover, the CDT captures both the strain energy from the macroscopic deformation of the crystal and the elastic energy of the dislocation network, as well as the dissipation of energy due to dislocation motion. The present contribution deals with the geometrically linear CDT. More precise, the focus is on the role of dislocation kinematics for single and multi-slip and its consequences on the field equations. Thereby, the number of active slip systems plays a crucial role since it restricts the degrees of freedom of plastic deformation. Special attention is put on the definition of proper, well-defined invariants of the dislocation tensor in order to avoid any spurious dependence of the resulting field equations on the coordinate system. It is shown how a slip system based approach can be in accordance with the tensor nature of the involved quantities. At first, only dislocation glide in one active slip system of the crystal is allowed. Then, the special case of two orthogonal (interacting) slip systems is considered and the governing field equations are presented. In addition, the structure and symmetry of the backstress tensor is investigated from the viewpoint of thermodynamical consistency. The results will again be used in order to facilitate the set of field equations and to prepare for a robust numerical implementation.

The evolution of helium from aged Zr tritides: A thermal helium desorption spectrometry study

NASA Astrophysics Data System (ADS)

Cheng, G. J.; Huang, G.; Chen, M.; Zhou, X. S.; Liu, J. H.; Peng, S. M.; Ding, W.; Wang, H. F.; Shi, L. Q.

2018-02-01

The evolution of He from Zr-tritides was investigated for aging times up to about 6.5 years using analytical thermal helium desorption spectrometry (THDS). Zr films were deposited onto Mo substrates and then converted into Zr-tritides (ZrT1.70∼1.95) inside a tritiding apparatus loaded with pure tritium gas. During aging, there are at least five forms of He in Zr-tritides, and more than 99% of He atoms are in the form of He bubbles. The isolated He bubbles in lattices begin to link with each other when the He/Zr atom ratio reaches about 0.21, and are connected to grain boundaries or dislocation networks at He concentration of He/Zr ≈ 0.26. An interconnected system of channels decorated by bubbles evolves from the network dislocations, dislocation loops and internal boundaries. These He filled networks are formed completely when the He/Zr atom ratio is about 0.38. Once the He/Zr reached about 0.45, the networks of He bubble penetrate to the film surface and He begins an "accelerated release". This critical ratio of He to Zr for He accelerated release is much greater than that found previously for Ti-tritides (0.23-0.30). The difference of He retention in Zr-tritides and Ti-tritides was also discussed in this paper.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE PAGES

Liu, Xiang; Miao, Yinbin; Li, Meimei; ...

2018-04-15

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

Radiation resistance of oxide dispersion strengthened alloys: Perspectives from in situ observations and rate theory calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang; Miao, Yinbin; Li, Meimei

Here, in situ ion irradiation and rate theory calculations were employed to directly compare the radiation resistance of an oxide dispersion strengthened alloy with that of a conventional ferritic/martensitic alloy. Compared to the rapid buildup of dislocation loops, loop growth, and formation of network dislocations in the conventional ferritic/martensitic alloy, the superior radiation resistance of the oxide dispersion strengthened alloy is manifested by its stable dislocation structure under the same irradiation conditions. Thus, the results are consistent with rate theory calculations, which show that high-density nanoparticles can significantly reduce freely migrating defects and suppress the buildup of clustered defects.

A Lattice-Misfit-Dependent Damage Model for Non-linear Damage Accumulations Under Monotonous Creep in Single Crystal Superalloys

NASA Astrophysics Data System (ADS)

le Graverend, J.-B.

2018-05-01

A lattice-misfit-dependent damage density function is developed to predict the non-linear accumulation of damage when a thermal jump from 1050 °C to 1200 °C is introduced somewhere in the creep life. Furthermore, a phenomenological model aimed at describing the evolution of the constrained lattice misfit during monotonous creep load is also formulated. The response of the lattice-misfit-dependent plasticity-coupled damage model is compared with the experimental results obtained at 140 and 160 MPa on the first generation Ni-based single crystal superalloy MC2. The comparison reveals that the damage model is well suited at 160 MPa and less at 140 MPa because the transfer of stress to the γ' phase occurs for stresses above 150 MPa which leads to larger variations and, therefore, larger effects of the constrained lattice misfit on the lifetime during thermo-mechanical loading.

Social Networks in the Labour Market--The Sociology of Job Search.

ERIC Educational Resources Information Center

Carson, Edgar

1989-01-01

Reviews literature on nature of social networks in labor market and their implications for job search strategies of dislocated workers. Suggests issues for further research: (1) how the job search changes as unemployment increases; (2) the role of social networks in the labor market; and (3) claims about security and conditions of jobs found…

Effects of external mechanical loading on phase diagrams and dielectric properties in epitaxial ferroelectric thin films with anisotropic in-plane misfit strains

NASA Astrophysics Data System (ADS)

Qiu, J. H.; Jiang, Q.

2007-02-01

A phenomenological Landau-Devonshine theory is used to describe the effects of external mechanical loading on equilibrium polarization states and dielectric properties in epitaxial ferroelectric thin films grown on dissimilar orthorhombic substrates which induce anisotropic misfit strains in the film plane. The calculation focuses on single-domain perovskite BaTiO3 and PbTiO3 thin films on the assumption that um1=-um2. Compared with the phase diagrams without external loading, the characteristic features of "misfit strain-misfit strain" phase diagrams at room temperature are the presence of paraelectric phase and the strain-induced ferroelectric to paraelectric phase transition. Due to the external loading, the "misfit strain-stress" and "stress-temperature" phase diagrams also have drastic changes, especially for the vanishing of paraelectric phase in "misfit strain-stress" phase map and the appearance of possible ferroelectric phases. We also investigate the dielectric properties and the tunability of both BaTiO3 and PbTiO3 thin films. We find that the external stress dependence of phase diagrams and dielectric properties largely depends on strain anisotropy as well.

Influence of Different Ceramic Systems on Marginal Misfit.

PubMed

Vargas, S P; Neves, A C C; Vitti, R; Amaral, M; Henrique, M N; Silva-Concílio, L R

2017-09-01

the aim of this study was to evaluate the marginal misfit at the interface between a ceramic coping and its abutment. Twenty-four specimens were made with solid abutments. The specimens were divided into 3 groups according to the ceramic system (n = 8): Lava (zirconia), IPS e.max Press (lithium disilicate), and IPS Empress Esthetic (leucite). All copings were cemented with resin luting agent (RelyX U200) and the marginal misfit were evaluated at 3 different times: initial, after cementation, and after mechanical cycling using a linear measuring microscope (Measuring Microscope STM-Olympus) at a magnification of 40x. All specimens were subjected to mechanical cycling (1 million cycles) by an universal testing machine (Instron 8800). The results were statistically analyzed using Analysis of Variance and Student's t-test (α = 0.05). all groups showed an increase in the marginal misfit after cementation. The lithium disilicate group demonstrated the lowest interacial gap values at each evaluation (p = 0.001). The zirconia and leucite groups showed similar interfacial gap values (initial, p = 0.244; and post cementation, p = 0.751). the cementation increase the marginal misfit, but the mechanical cycling did not influence the marginal misfit of the ceramics systems evaluated. Copyright© 2017 Dennis Barber Ltd.

Red Misfits in the Sloan Digital Sky Survey: properties of star-forming red galaxies

NASA Astrophysics Data System (ADS)

Evans, Fraser A.; Parker, Laura C.; Roberts, Ian D.

2018-06-01

We study Red Misfits, a population of red, star-forming galaxies in the local Universe. We classify galaxies based on inclination-corrected optical colours and specific star formation rates derived from the Sloan Digital Sky Survey Data Release 7. Although the majority of blue galaxies are star-forming and most red galaxies exhibit little to no ongoing star formation, a small but significant population of galaxies (˜11 per cent at all stellar masses) are classified as red in colour yet actively star-forming. We explore a number of properties of these galaxies and demonstrate that Red Misfits are not simply dusty or highly inclined blue cloud galaxies or quiescent red galaxies with poorly constrained star formation. The proportion of Red Misfits is nearly independent of environment, and this population exhibits both intermediate morphologies and an enhanced likelihood of hosting an active galactic nucleus. We conclude that Red Misfits are a transition population, gradually quenching on their way to the red sequence and this quenching is dominated by internal processes rather than environmentally driven processes. We discuss the connection between Red Misfits and other transition galaxy populations, namely S0s, red spirals, and green valley galaxies.

Misfit-layered Bi1.85 Sr2 Co1.85 O7.7-δ for the hydrogen evolution reaction: beyond van der Waals heterostructures.

PubMed

Chua, Chun Kiang; Sofer, Zdeněk; Jankovský, Ondřej; Pumera, Martin

2015-03-16

Recent research on stable 2D nanomaterials has led to the discovery of new materials for energy-conversion and energy-storage applications. A class of layered heterostructures known as misfit-layered chalcogenides consists of well-defined atomic layers and has previously been applied as thermoelectric materials for use as high-temperature thermoelectric batteries. The performance of such misfit-layered chalcogenides in electrochemical applications, specifically the hydrogen evolution reaction, is currently unexplored. Herein, a misfit-layered chalcogenide consisting of CoO2 layers interleaved with an SrO-BiO-BiO-SrO rock-salt block and having the formula Bi1.85 Sr2 Co1.85 O7.7-δ is synthesized and examined for its structural and electrochemical properties. The hydrogen-evolution performance of misfit-layered Bi1.85 Sr2 Co1.85 O7.7-δ , which has an overpotential of 589 mV and a Tafel slope of 51 mV per decade, demonstrates the promising potential of misfit-layered chalcogenides as electrocatalysts instead of classical carbon. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The role of welding techniques in the biomechanical behavior of implant-supported prostheses.

PubMed

Rodrigues, Sabrina Alessandra; Presotto, Anna Gabriella Camacho; Barão, Valentim Adelino Ricardo; Consani, Rafael Leonardo Xediek; Nóbilo, Mauro Antônio Arruda; Mesquita, Marcelo Ferraz

2017-09-01

This in vitro study investigated the role of welding techniques of implant-supported prostheses in the 2D and 3D marginal misfits of prosthetic frameworks, strain induced on the mini abutment, and detorque of prosthetic screws. The correlations between the analyzed variables were also investigated. Frameworks were cast in commercially pure titanium (cp-Ti). A marginal misfit of 200μm was simulated in the working models (control group) (n=20). The 2D marginal misfit was analyzed according to the single-screw test protocol using a precision optical microscope. The 3D marginal misfit was performed by X-ray microtomography. Strain gauge analysis was performed to investigate the strain induced on the mini abutment. A digital torque meter was used for analysis of the detorque and the mean value was calculated for each framework. Afterwards, the frameworks were divided into two experimental groups (n=10): Laser (L) and TIG (T). The welding techniques were performed according to the following parameters: L (390V/9ms); T (36A/60ms). The L and T groups were reevaluated according to the marginal misfit, strain, and detorque. The results were submitted to one-way ANOVA followed by Tukey's HSD test and Person correlation analysis (α=0.05). Welding techniques statistically reduced the 2D and 3D marginal misfits of prosthetic frameworks (p<0.001), the strain induced on the mini abutment replicas (p=0.006), and improved the screw torque maintenance (p<0.001). Similar behavior was noted between L and T groups for all dependent variables (p>0.05). Positive correlations were observed between 2D and 3D marginal misfit reading methods (r=0.943, p<0.0001) and between misfit and strain (2D r=0.844, p<0.0001 and 3D r=0.864, p<0.0001). Negative correlation was observed between misfit and detorque (2D r=-0.823, p=0.003 and 3D r=-0.811, p=0.005). In conclusion, the welding techniques improved the biomechanical behavior of the implant-supported system. TIG can be an acceptable and affordable technique to reduce the misfit of 3-unit Ti frameworks. Copyright © 2017 Elsevier B.V. All rights reserved.

Three-stage nucleation and growth of Ge self-assembled quantum dots grown on partially relaxed SiGe buffer layers

NASA Astrophysics Data System (ADS)

Kim, H. J.; Zhao, Z. M.; Xie, Y. H.

2003-11-01

Three-stage nucleation and growth of Ge self-assembled quantum dots (SAQDs) on a relaxed SiGe buffer layer has been studied. Plastic relaxation of the SiGe buffer layer is associated with a network of buried 60° dislocations leading to an undulating strain field. As a result, the surface possesses three different types of sites for the nucleation and growth of Ge SAQDs: over the intersection of two perpendicular buried dislocations, over a single dislocation line, and in the region beyond one diffusion length away from any dislocation. Ge SAQDs are observed to nucleate exclusively over the dislocation intersections first, followed by over single dislocation lines, and finally in the region far away from dislocations. By increasing the Ge coverage at a slow rate, the prenucleation stage at the various sites is observed. It appears that the varying strain field has a significant effect on both the diffusion of Ge adatoms before SAQD nucleation, as well as the shape evolution of the SAQDs after they form. Moreover, two distinctly different self-assembly mechanisms are observed at different sites. There exist denuded zones free of Ge SAQDs adjacent to dislocation lines. The width of the denuded zone can be used to make direct determination of the Ge adatom diffusion lengths. The partially relaxed substrate provides a useful experimental vehicle for the in-depth understanding of the formation mechanism of SAQDs grown epitaxially in the Stranski-Krastanov growth mode.

Pendular behavior of public transport networks

NASA Astrophysics Data System (ADS)

Izawa, Mirian M.; Oliveira, Fernando A.; Cajueiro, Daniel O.; Mello, Bernardo A.

2017-07-01

In this paper, we propose a methodology that bears close resemblance to the Fourier analysis of the first harmonic to study networks subjected to pendular behavior. In this context, pendular behavior is characterized by the phenomenon of people's dislocation from their homes to work in the morning and people's dislocation in the opposite direction in the afternoon. Pendular behavior is a relevant phenomenon that takes place in public transport networks because it may reduce the overall efficiency of the system as a result of the asymmetric utilization of the system in different directions. We apply this methodology to the bus transport system of Brasília, which is a city that has commercial and residential activities in distinct boroughs. We show that this methodology can be used to characterize the pendular behavior of this system, identifying the most critical nodes and times of the day when this system is in more severe demanded.

Thermal conductivity in Bi0.5Sb1.5Te3+x and the role of dense dislocation arrays at grain boundaries.

PubMed

Deng, Rigui; Su, Xianli; Zheng, Zheng; Liu, Wei; Yan, Yonggao; Zhang, Qingjie; Dravid, Vinayak P; Uher, Ctirad; Kanatzidis, Mercouri G; Tang, Xinfeng

2018-06-01

Several prominent mechanisms for reduction in thermal conductivity have been shown in recent years to improve the figure of merit for thermoelectric materials. Such a mechanism is a hierarchical all-length-scale architecturing that recognizes the role of all microstructure elements, from atomic to nano to microscales, in reducing (lattice) thermal conductivity. In this context, there have been recent claims of remarkably low (lattice) thermal conductivity in Bi 0.5 Sb 1.5 Te 3 that are attributed to seemingly ordinary grain boundary dislocation networks. These high densities of dislocation networks in Bi 0.5 Sb 1.5 Te 3 were generated via unconventional materials processing with excess Te (which formed liquid phase, thereby facilitating sintering), followed by spark plasma sintering under pressure to squeeze out the liquid. We reproduced a practically identical microstructure, following practically identical processing strategies, but with noticeably different (higher) thermal conductivity than that claimed before. We show that the resultant microstructure is anisotropic, with notable difference of thermal and charge transport properties across and along two orthonormal directions, analogous to anisotropic crystals. Thus, we believe that grain boundary dislocation networks are not the primary cause of enhanced ZT through reduction in thermal conductivity. Instead, we can reproduce the purported high ZT through a favorable but impractical and incorrect combination of thermal conductivity measured along the pressing direction of anisotropy while charge transport measured in the direction perpendicular to the anisotropic direction. We believe that our work underscores the need for consistency in charge and thermal transport measurements for unified and verifiable measurements of thermoelectric (and related) properties and phenomena.

Microstructure design for fast oxygen conduction

DOE PAGES

Aidhy, Dilpuneet S.; Weber, William J.

2015-11-11

Research from the last decade has shown that in designing fast oxygen conducting materials for electrochemical applications has largely shifted to microstructural features, in contrast to material-bulk. In particular, understanding oxygen energetics in heterointerface materials is currently at the forefront, where interfacial tensile strain is being considered as the key parameter in lowering oxygen migration barriers. Nanocrystalline materials with high densities of grain boundaries have also gathered interest that could possibly allow leverage over excess volume at grain boundaries, providing fast oxygen diffusion channels similar to those previously observed in metals. In addition, near-interface phase transformations and misfit dislocations aremore » other microstructural phenomenon/features that are being explored to provide faster diffusion. In this review, the current understanding on oxygen energetics, i.e., thermodynamics and kinetics, originating from these microstructural features is discussed. Moreover, our experimental observations, theoretical predictions and novel atomistic mechanisms relevant to oxygen transport are highlighted. In addition, the interaction of dopants with oxygen vacancies in the presence of these new microstructural features, and their future role in the design of future fast-ion conductors, is outlined.« less

Strain and stability of ultrathin Ge layers in Si/Ge/Si axial heterojunction nanowires

DOE PAGES

Ross, Frances M.; Stach, Eric A.; Wen, Cheng -Yen; ...

2015-02-05

The abrupt heterointerfaces in the Si/Ge materials system presents useful possibilities for electronic device engineering because the band structure can be affected by strain induced by the lattice mismatch. In planar layers, heterointerfaces with abrupt composition changes are difficult to realize without introducing misfit dislocations. However, in catalytically grown nanowires, abrupt heterointerfaces can be fabricated by appropriate choice of the catalyst. Here we grow nanowires containing Si/Ge and Si/Ge/Si structures respectively with sub-1nm thick Ge "quantum wells" and we measure the interfacial strain fields using geometric phase analysis. Narrow Ge layers show radial strains of several percent, with a correspondingmore » dilation in the axial direction. Si/Ge interfaces show lattice rotation and curvature of the lattice planes. We conclude that high strains can be achieved, compared to what is possible in planar layers. In addition, we study the stability of these heterostructures under heating and electron beam irradiation. The strain and composition gradients are supposed to the cause of the instability for interdiffusion.« less

Impurity distribution and microstructure of Ga-doped ZnO films grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Kvit, A. V.; Yankovich, A. B.; Avrutin, V.; Liu, H.; Izyumskaya, N.; Özgür, Ü.; Morkoç, H.; Voyles, P. M.

2012-12-01

We report microstructural characterization of heavily Ga-doped ZnO (GZO) thin films on GaN and sapphire by aberration-corrected scanning transmission electron microscopy. Growth under oxygen-rich and metal-rich growth conditions leads to changes in the GZO polarity and different extended defects. For GZO layers on sapphire, the primary extended defects are voids, inversion domain boundaries, and low-angle grain boundaries. Ga doping of ZnO grown under metal-rich conditions causes a switch from pure oxygen polarity to mixed oxygen and zinc polarity in small domains. Electron energy loss spectroscopy and energy dispersive spectroscopy spectrum imaging show that Ga is homogeneous, but other residual impurities tend to accumulate at the GZO surface and at extended defects. GZO grown on GaN on c-plane sapphire has Zn polarity and no voids. There are misfit dislocations at the interfaces between GZO and an undoped ZnO buffer layer and at the buffer/GaN interface. Low-angle grain boundaries are the only threading microstructural defects. The potential effects of different extended defects and impurity distributions on free carrier scattering are discussed.

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

DOE PAGES

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.; ...

2017-12-15

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

Molecular Dynamics Study of High Symmetry Planar Defect Evolution during Growth of CdTe/CdS Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chavez, Jose Juan; Zhou, Xiao W.; Almeida, Sergio F.

The growth dynamics and evolution of intrinsic stacking faults, lamellar, and double positioning twin grain boundaries were explored using molecular dynamics simulations during the growth of CdTe homoepitaxy and CdTe/CdS heteroepitaxy. Initial substrate structures were created containing either stacking fault or one type of twin grain boundary, and films were subsequently deposited to study the evolution of the underlying defect. Results show that during homoepitaxy the film growth was epitaxial and the substrate’s defects propagated into the epilayer, except for the stacking fault case where the defect disappeared after the film thickness increased. In contrast, films grown on heteroepitaxy conditionsmore » formed misfit dislocations and grew with a small angle tilt (within ~5°) of the underlying substrate’s orientation to alleviate the lattice mismatch. Grain boundary proliferation was observed in the lamellar and double positioning twin cases. Finally, our study indicates that it is possible to influence the propagation of high symmetry planar defects by selecting a suitable substrate defect configuration, thereby controlling the film defect morphology.« less

X-ray characterization of Ge dots epitaxially grown on nanostructured Si islands on silicon-on-insulator substrates.

PubMed

Zaumseil, Peter; Kozlowski, Grzegorz; Yamamoto, Yuji; Schubert, Markus Andreas; Schroeder, Thomas

2013-08-01

On the way to integrate lattice mismatched semiconductors on Si(001), the Ge/Si heterosystem was used as a case study for the concept of compliant substrate effects that offer the vision to be able to integrate defect-free alternative semiconductor structures on Si. Ge nanoclusters were selectively grown by chemical vapour deposition on Si nano-islands on silicon-on-insulator (SOI) substrates. The strain states of Ge clusters and Si islands were measured by grazing-incidence diffraction using a laboratory-based X-ray diffraction technique. A tensile strain of up to 0.5% was detected in the Si islands after direct Ge deposition. Using a thin (∼10 nm) SiGe buffer layer between Si and Ge the tensile strain increases to 1.8%. Transmission electron microscopy studies confirm the absence of a regular grid of misfit dislocations in such structures. This clear experimental evidence for the compliance of Si nano-islands on SOI substrates opens a new integration concept that is not only limited to Ge but also extendable to semiconductors like III-V and II-VI materials.

Experimental study of disorder in a semiconductor microcavity

NASA Astrophysics Data System (ADS)

Gurioli, M.; Bogani, F.; Wiersma, D. S.; Roussignol, Ph.; Cassabois, G.; Khitrova, G.; Gibbs, H.

2001-10-01

A detailed study of the structural disorder in wedge semiconductor microcavities (MC's) is presented. We demonstrate that images of the coherent emission from the MC surface can be used for a careful characterization of both intrinsic and extrinsic optical properties of semiconductor MC's. The polariton broadening can be measured directly, avoiding the well-known problem of inhomogeneous broadening due to the MC wedge. A statistical analysis of the spatial line shape of the images of the MC surface shows the presence of static disorder associated with dielectric fluctuations in the Bragg reflector. Moreover, the presence of local fluctuations of the effective cavity length can be detected with subnanometer resolution. The analysis of the resonant Rayleigh scattering (RRS) gives additional information on the origin of the disorder. We find that the RRS is dominated by the scattering of the photonic component of the MC polariton by disorder in the Bragg reflector. Also the RRS is strongly enhanced along the [110] and [11¯0] directions. This peculiar scattering pattern is attributed to misfit dislocations induced by the large thickness of the mismatched AlGaAs alloy in the Bragg mirrors.

Three-dimensional studies of intergranular carbides in austenitic stainless steel.

PubMed

Ochi, Minoru; Kawano, Rika; Maeda, Takuya; Sato, Yukio; Teranishi, Ryo; Hara, Toru; Kikuchi, Masao; Kaneko, Kenji

2017-04-01

A large number of morphological studies of intergranular carbides in steels have always been carried out in two dimensions without considering their dispersion manners. In this article, focused ion beam serial-sectioning tomography was carried out to study the correlation among the grain boundary characteristics, the morphologies and the dispersions of intergranular carbides in 347 austenitic stainless steel. More than hundred intergranular carbides were characterized in three dimensions and finally classified into three different types, two types of carbides probably semi-coherent to one of the neighboring grains with plate-type morphology, and one type of carbides incoherent to both grains with rod-type morphology. In addition, the rod-type carbide was found as the largest number of carbides among three types. Since large numbers of defects, such as misfit dislocations, may be present at the grain boundaries, which can be ideal nucleation sites for intergranular rod-type carbide precipitation. © The Author 2016. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved.For permissions, please e-mail: journals.permissions@oup.com.

Unveiling the Semicoherent Interface with Definite Orientation Relationships between Reinforcements and Matrix in Novel Al3BC/Al Composites.

PubMed

Zhao, Yongfeng; Qian, Zhao; Ma, Xia; Chen, Houwen; Gao, Tong; Wu, Yuying; Liu, Xiangfa

2016-10-05

High-strength lightweight Al-based composites are promising materials for a wide range of applications. To provide high performance, a strong bonding interface for effective load transfer from the matrix to the reinforcement is essential. In this work, the novel Al 3 BC reinforced Al composites have been in situ fabricated through a liquid-solid reaction method and the bonding interface between Al 3 BC and Al matrix has been unveiled. The HRTEM characterizations on the Al 3 BC/Al interface verify it to be a semicoherent bonding structure with definite orientation relationships: (0001) Al 3 BC //(11̅1) Al ;[112̅0] Al 3 BC //[011] Al . Periodic arrays of geometrical misfit dislocations are also observed along the interface at each (0001) Al 3 BC plane or every five (11̅1) Al planes. This kind of interface between the reinforcement and the matrix is strong enough for effective load transfer, which would lead to the evidently improved strength and stiffness of the introduced new Al 3 BC/Al composites.

Electron mobility of self-assembled and dislocation free InN nanorods grown on GaN nano wall network template

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tangi, Malleswararao; De, Arpan; Ghatak, Jay

2016-05-28

A kinetically controlled two-step growth process for the formation of an array of dislocation free high mobility InN nanorods (NRs) on GaN nanowall network (NWN) by Molecular Beam Epitaxy is demonstrated here. The epitaxial GaN NWN is formed on c-sapphire under nitrogen rich conditions, and then changing the source from Ga to In at appropriate substrate temperature yields the nucleation of a self assembled spontaneous m-plane side faceted-InN NR. By HRTEM, the NRs are shown to be dislocation-free and have a low band gap value of 0.65 eV. Hall measurements are carried out on a single InN NR along with J-Vmore » measurements that yield mobility values as high as ≈4453 cm{sup 2}/V s and the carrier concentration of ≈1.1 × 10{sup 17} cm{sup −3}, which are unprecedented in the literature for comparable InN NR diameters.« less

Transient luminescence induced by electrical refilling of charge carrier traps of dislocation network at hydrophilically bonded Si wafers interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bondarenko, Anton; Vyvenko, Oleg

2014-02-21

Dislocation network (DN) at hydrophilically bonded Si wafers interface is placed in space charge region (SCR) of a Schottky diode at a depth of about 150 nm from Schottky electrode for simultaneous investigation of its electrical and luminescent properties. Our recently proposed pulsed traps refilling enhanced luminescence (Pulsed-TREL) technique based on the effect of transient luminescence induced by refilling of charge carrier traps with electrical pulses is further developed and used as a tool to establish DN energy levels responsible for D1 band of dislocation-related luminescence in Si (DRL). In present work we do theoretical analysis and simulation of trapsmore » refilling kinetics dependence on refilling pulse magnitude (Vp) in two levels model: shallow and deep. The influence of initial charge state of deep level on shallow level occupation-Vp dependence is discussed. Characteristic features predicted by simulations are used for Pulsed-TREL experimental results interpretation. We conclude that only shallow (∼0.1 eV from conduction and valence band) energetic levels in the band gap participate in D1 DRL.« less

Seismic tomography of the southern California crust based on spectral-element and adjoint methods

NASA Astrophysics Data System (ADS)

Tape, Carl; Liu, Qinya; Maggi, Alessia; Tromp, Jeroen

2010-01-01

We iteratively improve a 3-D tomographic model of the southern California crust using numerical simulations of seismic wave propagation based on a spectral-element method (SEM) in combination with an adjoint method. The initial 3-D model is provided by the Southern California Earthquake Center. The data set comprises three-component seismic waveforms (i.e. both body and surface waves), filtered over the period range 2-30 s, from 143 local earthquakes recorded by a network of 203 stations. Time windows for measurements are automatically selected by the FLEXWIN algorithm. The misfit function in the tomographic inversion is based on frequency-dependent multitaper traveltime differences. The gradient of the misfit function and related finite-frequency sensitivity kernels for each earthquake are computed using an adjoint technique. The kernels are combined using a source subspace projection method to compute a model update at each iteration of a gradient-based minimization algorithm. The inversion involved 16 iterations, which required 6800 wavefield simulations. The new crustal model, m16, is described in terms of independent shear (VS) and bulk-sound (VB) wave speed variations. It exhibits strong heterogeneity, including local changes of +/-30 per cent with respect to the initial 3-D model. The model reveals several features that relate to geological observations, such as sedimentary basins, exhumed batholiths, and contrasting lithologies across faults. The quality of the new model is validated by quantifying waveform misfits of full-length seismograms from 91 earthquakes that were not used in the tomographic inversion. The new model provides more accurate synthetic seismograms that will benefit seismic hazard assessment.

Adjoint Tomography of the Southern California Crust (Invited) (Invited)

NASA Astrophysics Data System (ADS)

Tape, C.; Liu, Q.; Maggi, A.; Tromp, J.

2009-12-01

We iteratively improve a three-dimensional tomographic model of the southern California crust using numerical simulations of seismic wave propagation based on a spectral-element method (SEM) in combination with an adjoint method. The initial 3D model is provided by the Southern California Earthquake Center. The dataset comprises three-component seismic waveforms (i.e. both body and surface waves), filtered over the period range 2-30 s, from 143 local earthquakes recorded by a network of 203 stations. Time windows for measurements are automatically selected by the FLEXWIN algorithm. The misfit function in the tomographic inversion is based on frequency-dependent multitaper traveltime differences. The gradient of the misfit function and related finite-frequency sensitivity kernels for each earthquake are computed using an adjoint technique. The kernels are combined using a source subspace projection method to compute a model update at each iteration of a gradient-based minimization algorithm. The inversion involved 16 iterations, which required 6800 wavefield simulations and a total of 0.8 million CPU hours. The new crustal model, m16, is described in terms of independent shear (Vs) and bulk-sound (Vb) wavespeed variations. It exhibits strong heterogeneity, including local changes of ±30% with respect to the initial 3D model. The model reveals several features that relate to geologic observations, such as sedimentary basins, exhumed batholiths, and contrasting lithologies across faults. The quality of the new model is validated by quantifying waveform misfits of full-length seismograms from 91 earthquakes that were not used in the tomographic inversion. The new model provides more accurate synthetic seismograms that will benefit seismic hazard assessment.

Misfit stresses in a composite core-shell nanowire with an eccentric parallelepipedal core subjected to one-dimensional cross dilatation eigenstrain

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2017-05-01

The boundary-value problem in the classical theory of elasticity for a core-shell nanowire with an eccentric parallelepipedal core of an arbitrary rectangular cross section is solved. The core is subjected to one-dimensional cross dilatation eigenstrain. The misfit stresses are given in a closed analytical form suitable for theoretical modeling of misfit accommodation in relevant heterostructures.

Method to improve passive fit of frameworks on implant-supported prostheses: An in vitro study.

PubMed

Manzella, Carlo; Bignardi, Cristina; Burello, Valerio; Carossa, Stefano; Schierano, Gianmario

2016-07-01

The passivity of the superstructure to the abutments of implant-supported prostheses is necessary for implant-prosthesis success. Improvements are needed in the methods of verifying passivity. The purpose of this in vitro study was to evaluate an inexpensive, easy to make, and user-friendly device to verify the position of the implant abutment replicas of the definitive cast and to avoid framework misfit before fabrication. Eighty stone devices were constructed on a metal base for the in vitro tests. The horizontal, vertical, and angled positions of the implant replicas were created to simulate misfits. The devices were fitted on the abutment replicas, and their ability to identify misfits was evaluated. A statistical analysis was not indicated, because the probability of fracture of the stone devices was 0 or 1. Two mathematical models were built using computer-aided design software (SolidWorks Premium; Dassault Systèmes SolidWorks Corp), and the finite element method was used (Ansys; ANSYS Inc) to simulate the structural behavior of 2 implant configurations (4 and 6 implants). Horizontal misfits of 150 μm, vertical misfits of 50 μm, and angled misfits of 1 degree were detected during the in vitro tests. Different loads and bone quality in the mathematical models did not change stress in the prosthesis configurations on 4 or 6 implants in a relevant way. The fabricated device was easily able to detect the misfits in accordance with the defined parameters. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Effect of framework material and vertical misfit on stress distribution in implant-supported partial prosthesis under load application: 3-D finite element analysis.

PubMed

Bacchi, Ataís; Consani, Rafael Leonardo Xediek; Mesquita, Marcelo Ferraz; Dos Santos, Mateus Bertolini Fernandes

2013-09-01

This study evaluated the influence of framework material and vertical misfit on stress created in an implant-supported partial prosthesis under load application. The posterior part of a severely reabsorbed jaw with a fixed partial prosthesis above two osseointegrated titanium implants at the place of the second premolar and second molar was modeled using SolidWorks 2010 software. Finite element models were obtained by importing the solid model into an ANSYS Workbench 11 simulation. The models were divided into 15 groups according to their prosthetic framework material (type IV gold alloy, silver-palladium alloy, commercially pure titanium, cobalt-chromium alloy or zirconia) and vertical misfit level (10 µm, 50 µm and 100 µm). After settlement of the prosthesis with the closure of the misfit, simultaneous loads of 110 N vertical and 15 N horizontal were applied on the occlusal and lingual faces of each tooth, respectively. The data was evaluated using Maximum Principal Stress (framework, porcelain veneer and bone tissue) and a von Mises Stress (retention screw) provided by the software. As a result, stiffer frameworks presented higher stress concentrations; however, these frameworks led to lower stresses in the porcelain veneer, the retention screw (faced to 10 µm and 50 µm of the misfit) and the peri-implant bone tissues. The increase in the vertical misfit resulted in stress values increasing in all of the prosthetic structures and peri-implant bone tissues. The framework material and vertical misfit level presented a relevant influence on the stresses for all of the structures evaluated.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Pengyuan; Ozsdolay, Brian D.; Gall, Daniel, E-mail: galld@rpi.edu

Smooth single crystal W(001) layers were grown on MgO(001) substrates by magnetron sputtering at 900 °C. X-ray diffraction ω–2θ scans, ω-rocking curves, pole figures, and reciprocal space maps indicate a 45°-rotated epitaxial relationship: (001){sub W}‖(001){sub MgO} and [010]{sub W}‖[110]{sub MgO}, and a relaxed lattice constant of 3.167 ± 0.001 nm. A residual in-plane biaxial compressive strain is primarily attributed to differential thermal contraction after growth and decreases from −0.012 ± 0.001 to −0.001 ± 0.001 with increasing layer thickness d = 4.8–390 nm, suggesting relaxation during cooling by misfit dislocation growth through threading dislocation glide. The in-plane x-ray coherence length increases from 3.4 to 33.6 nm for d = 4.8–390 nm, while the out-of-plane x-raymore » coherence length is identical to the layer thickness for d ≤ 20 nm, but is smaller than d for d ≥ 49.7 nm, indicating local strain variations along the film growth direction. X-ray reflectivity analyses indicate that the root-mean-square surface roughness increases from 0.50 ± 0.05 to 0.95 ± 0.05 nm for d = 4.8–19.9 nm, suggesting a roughness exponent of 0.38, but remains relatively constant for d > 20 nm with a roughness of 1.00 ± 0.05 nm at d = 47.9 nm.« less

Alignment control and atomically-scaled heteroepitaxial interface study of GaN nanowires.

PubMed

Liu, Qingyun; Liu, Baodan; Yang, Wenjin; Yang, Bing; Zhang, Xinglai; Labbé, Christophe; Portier, Xavier; An, Vladimir; Jiang, Xin

2017-04-20

Well-aligned GaN nanowires are promising candidates for building high-performance optoelectronic nanodevices. In this work, we demonstrate the epitaxial growth of well-aligned GaN nanowires on a [0001]-oriented sapphire substrate in a simple catalyst-assisted chemical vapor deposition process and their alignment control. It is found that the ammonia flux plays a key role in dominating the initial nucleation of GaN nanocrystals and their orientation. Typically, significant improvement of the GaN nanowire alignment can be realized at a low NH 3 flow rate. X-ray diffraction and cross-sectional scanning electron microscopy studies further verified the preferential orientation of GaN nanowires along the [0001] direction. The growth mechanism of GaN nanowire arrays is also well studied based on cross-sectional high-resolution transmission electron microscopy (HRTEM) characterization and it is observed that GaN nanowires have good epitaxial growth on the sapphire substrate following the crystallographic relationship between (0001) GaN ∥(0001) sapphire and (101[combining macron]0) GaN ∥(112[combining macron]0) sapphire . Most importantly, periodic misfit dislocations are also experimentally observed in the interface region due to the large lattice mismatch between the GaN nanowire and the sapphire substrate, and the formation of such dislocations will favor the release of structural strain in GaN nanowires. HRTEM analysis also finds the existence of "type I" stacking faults and voids inside the GaN nanowires. Optical investigation suggests that the GaN nanowire arrays have strong emission in the UV range, suggesting their crystalline nature and chemical purity. The achievement of aligned GaN nanowires will further promote the wide applications of GaN nanostructures toward diverse high-performance optoelectronic nanodevices including nano-LEDs, photovoltaic cells, photodetectors etc.

Direct bonding of gallium nitride to silicon carbide: Physical, and electrical characterization

NASA Astrophysics Data System (ADS)

Lee, Jaeseob

The direct bonding method is applied to the GaN/SiC system, and the processing conditions for successful direct bonding are clarified. Direct bonding of GaN/SiC is achieved at 900°C. The direct bonding of GaN to Si-face SiC is very dependent on the choice of chemical treatments, but the bonding of GaN to C-face SiC is less dependent on surface preparation. If a native oxide is present when the bonded interface is prepared, the current through the interface is decreased, which is attributed to an energy barrier due to the presence of charged interface states. TEM images indicate 10nm spaced dislocations at the interface for the GaN/SiC (Si-face), and ˜6nm for the GaN/SiC (C-face), which form to accommodate the lattice mismatch (3.4%) and twist (1˜2°) and tilt misfit (0.2° for Si-face SiC and 3° for C-face SiC). In some regions (˜30%) an amorphous oxide layer forms at the interface, which is attributed to inadequate surface preparation prior to bonding. The strain of the GaN film with a Ga/C interface was ˜0.1%, tensile strain, and that of GaN with a Ga/Si interface was ˜0.2%, tensile strain. Our analysis indicates that the GaN/SiC thermal misfit dominates the strain of the GaN after bonding. The electrical characteristics of n-p GaN/SiC heterojunctions display diode ideality factors, saturation currents, energy barrier heights, and band offsets of 1.5 +/- 0.1, 10-13 A/cm 2, 0.75 +/- 0.10 eV, and DeltaEC = 0.87 +/- 0.10 eV for the Ga/Si interface and 1.2 +/- 0.1, 10 -16 A/cm2, 0.56 +/- 0.10 eV, and Delta EC = 0.46 +/- 0.10 eV for the Ga/C interface.

A comparison of two soldering techniques on the misfit of bar-retained implant-supported overdentures.

PubMed

Alvarez, Angel; Lafita, Pedro; de Llanos, Hector; Gago, Angel; Brizuela, Aritza; Ellacuria, Joseba J

2014-02-01

This study was conducted to measure and compare the effect of the soldering method (torch soldering or ceramic furnace soldering) used for soldering bars to bar-retained, implant-supported overdentures on the fit between the bar gold cylinder and implant transgingival abutment. Thirty-two overdenture implant bars were manufactured and screw retained into two Bränemark implants, which were attached to a cow rib. The bars were randomly distributed in two groups: a torch-soldering group and a porcelain-furnace soldering group. Then all bars were cut and soldered using a torch and a ceramic furnace. The fit between the bar gold cylinders and implant transgingival abutments was measured with a light microscope on the opposite side to the screw tightening side before and after the bar soldering procedure. The data obtained were statistically processed for paired and independent data. The average misfit for all bars before soldering was 33.83 to 54.04 μm. After cutting and soldering the bars, the misfit increased up to a range of 71.74 to 78.79 μm. Both before and after the soldering procedure, the bars soldered using a torch showed a higher misfit when compared to the bars soldered using a porcelain furnace. After the soldering procedure, the misfit was slightly lower on the left side of the bars, which had been soldered using a ceramic furnace. According to our data, the soldering of bars using the torch or furnace oven soldering techniques does not improve the misfit of one-piece cast bars on two implants. The lower misfit was obtained using the porcelain furnace soldering technique. © 2013 by the American College of Prosthodontists.

Misfit stresses in a composite core-shell nanowire with an eccentric parallelepipedal core subjected to one-dimensional cross dilatation eigenstrain

NASA Astrophysics Data System (ADS)

Krasnitckii, S. A.; Kolomoetc, D. R.; Smirnov, A. M.; Gutkin, M. Yu

2017-03-01

We present an analytical solution to the boundary-value problem in the classical theory of elasticity for a core-shell nanowire with an eccentric parallelepipedal core of an arbitrary rectangular cross section. The core is subjected to one-dimensional cross dilatation eigenstrain. The misfit stresses are found in a concise and transparent closed form which is convenient for practical use in theoretical modeling of misfit relaxation processes.

Defects at grain boundaries: A coarse-grained, three-dimensional description by the amplitude expansion of the phase-field crystal model

NASA Astrophysics Data System (ADS)

Salvalaglio, Marco; Backofen, Rainer; Elder, K. R.; Voigt, Axel

2018-05-01

We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element method calculations. This approach allows for the description of microscopic features, such as dislocations, while simultaneously being able to describe length scales that are orders of magnitude larger than the lattice spacing. Moreover, it allows for the direct description of extended defects by means of a scalar order parameter. The versatility of this framework is shown by considering both fcc and bcc lattice symmetries and different rotation axes. First, the specific case of planar, twist grain boundaries is illustrated. The details of the method are reported and the consistency of the results with literature is discussed. Then, the dislocation networks forming at the interface between a spherical, rotated crystal embedded in an unrotated crystalline structure, are shown. Although explicitly accounting for dislocations which lead to an anisotropic shrinkage of the rotated grain, the extension of the spherical grain boundary is found to decrease linearly over time in agreement with the classical theory of grain growth and recent atomistic investigations. It is shown that the results obtained for a system with bcc symmetry agree very well with existing results, validating the methodology. Furthermore, fully original results are shown for fcc lattice symmetry, revealing the generality of the reported observations.

Significantly enhanced creep resistance of low volume fraction in-situ TiBw/Ti6Al4V composites by architectured network reinforcements

PubMed Central

Wang, S.; Huang, L. J.; Geng, L.; Scarpa, F.; Jiao, Y.; Peng, H. X.

2017-01-01

We present a new class of TiBw/Ti6Al4V composites with a network reinforcement architecture that exhibits a significant creep resistance compared to monolithic Ti6Al4V alloys. Creep tests performed at temperatures between 773 K and 923 K and stress range of 100 MPa-300 MPa indicate both a significant improvement of the composites creep resistance due to the network architecture made by the TiB whiskers (TiBw), and a decrease of the steady-state creep rates by augmenting the local volume fractions of TiBw in the network region. The deformation behavior is driven by a diffusion-controlled dislocation climb process. Moreover, the activation energies of these composites are significantly higher than that of Ti6Al4V alloys, indicating a higher creep resistance. The increase of the activation energy can be attributed to the TiBw architecture that severely impedes the movements of dislocation and grain boundary sliding and provides a tailoring of the stress transfer. These micromechanical mechanisms lead to a remarkable improvement of the creep resistance of these networked TiBw/Ti6Al4V composites featuring the special networked architecture. PMID:28094350

DEFORMATION PROCESSES IN MATERIALS. Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Washburn, J.; Parker, E.R.; Tinder, R.F.

1962-08-01

It was found that irreversible plastic deformation occurs in polycrystaliine specimens of zinc, copper and its dilute alloys, and aluminum at room temperature, beginning at stresses indetectably above zero applied stress. Neither Frank-Read source generation nor simple bowing of dislocations between fixed nodes can explain the irreversible plastic behavior observed at small stresses in the metals studied. More extensive rearrangements of the dislocation substructure that probably involve glide of nodes and formation of new nodes seem to be required. Prestrained specimens of copper and its dilute alloys often exhibited bursts of plastic deformation which could possibly be due to cooperativemore » rearrangement of the dislocation substructure in one or a few grains. The introduction, by particle bombardment, of new lengths of dislocations into the gage section surface of specimens of copper and its dilute alloys produced extensive irreversible plastic flow beginning at stresses indetectably above zero applied stress. The effect of prestraln on the shape of the loading and unloading curves for zinc shows that dislocation rearrangements that cause forward and reverse strain can occur simultaneously. The net strain rate can be the algebraic sum of the strain recovery rate and the forward creep rate. The present quantitative theories of the Peierls-Nabarro stress are insufficient to permit an estimate of its magnitude from the results of this investigation. In dilute copper alloys containing up to 0.1 at.% impurity, there were many dislocations in the grown-in networks that were not locked by segregation of the foreign atoms. The study of creep behavior over a range of temperatures and at the same strain sensitivity used in these experiments combined with dislocation etch pit observations of dislocation substructure appears to be a particularly fruitful field for further investigation. (auth)« less

Full Seismic Waveform Tomography of the Japan region using Adjoint Methods

NASA Astrophysics Data System (ADS)

Steptoe, Hamish; Fichtner, Andreas; Rickers, Florian; Trampert, Jeannot

2013-04-01

We present a full-waveform tomographic model of the Japan region based on spectral-element wave propagation, adjoint techniques and seismic data from dense station networks. This model is intended to further our understanding of both the complex regional tectonics and the finite rupture processes of large earthquakes. The shallow Earth structure of the Japan region has been the subject of considerable tomographic investigation. The islands of Japan exist in an area of significant plate complexity: subduction related to the Pacific and Philippine Sea plates is responsible for the majority of seismicity and volcanism of Japan, whilst smaller micro-plates in the region, including the Okhotsk, and Okinawa and Amur, part of the larger North America and Eurasia plates respectively, contribute significant local intricacy. In response to the need to monitor and understand the motion of these plates and their associated faults, numerous seismograph networks have been established, including the 768 station high-sensitivity Hi-net network, 84 station broadband F-net and the strong-motion seismograph networks K-net and KiK-net in Japan. We also include the 55 station BATS network of Taiwan. We use this exceptional coverage to construct a high-resolution model of the Japan region from the full-waveform inversion of over 15,000 individual component seismograms from 53 events that occurred between 1997 and 2012. We model these data using spectral-element simulations of seismic wave propagation at a regional scale over an area from 120°-150°E and 20°-50°N to a depth of around 500 km. We quantify differences between observed and synthetic waveforms using time-frequency misfits allowing us to separate both phase and amplitude measurements whilst exploiting the complete waveform at periods of 15-60 seconds. Fréchet kernels for these misfits are calculated via the adjoint method and subsequently used in an iterative non-linear conjugate-gradient optimization. Finally, we employ custom smoothing algorithms to remove the singularities of the Fréchet kernels and artifacts introduced by the heterogeneous coverage in oceanic regions of the model.

Structural and luminescent Properties of Bulk InAsSb

DTIC Science & Technology

2011-12-21

have used compositionally graded metamorphic buffer layers to accommodate the misfit strain between InAsxSb1-x alloys and GaSb and InSb substrates in...wavelength range. The authors have used compositionally graded metamorphic buffer layers to accommodate the misfit strain between InAsxSb1x alloys...long wave IR range. We used compositionally graded GaInSb, AlGaInSb, and InAsxSb1x metamorphic buffer layers to accommodate the misfit strain between

Radiation damage buildup and dislocation evolution in Ni and equiatomic multicomponent Ni-based alloys

NASA Astrophysics Data System (ADS)

Levo, E.; Granberg, F.; Fridlund, C.; Nordlund, K.; Djurabekova, F.

2017-07-01

Single-phase multicomponent alloys of equal atomic concentrations ("equiatomic") have proven to exhibit promising mechanical and corrosion resistance properties, that are sought after in materials intended for use in hazardous environments like next-generation nuclear reactors. In this article, we investigate the damage production and dislocation mobility by simulating irradiation of elemental Ni and the alloys NiCo, NiCoCr, NiCoFe and NiFe, to assess the effect of elemental composition. We compare the defect production and the evolution of dislocation networks in the simulation cells of two different sizes, for all five studied materials. We find that the trends in defect evolution are in good agreement between the different cell sizes. The damage is generally reduced with increased alloy complexity, and the dislocation evolution is specific to each material, depending on its complexity. We show that increasing complexity of the alloys does not always lead to decreased susceptibility to damage accumulation under irradiation. We show that, for instance, the NiCo alloy behaves very similarly to Ni, while presence of Fe or Cr in the alloy even as a third component reduces the saturated level of damage substantially. Moreover, we linked the defect evolution with the dislocation transformations in the alloys. Sudden drops in defect number and large defect fluctuations from the continuous irradiation can be explained from the dislocation activity.

Three-dimensional imaging of dislocation dynamics during the hydriding phase transformation

DOE PAGES

Ulvestad, A.; Welland, M. J.; Cha, W.; ...

2017-01-16

Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

Experimental observation of motion of edge dislocations in Ge/Ge{sub x}Si{sub 1–x}/Si(001) (x = 0.2–0.6) heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolkhovityanov, Yu. B., E-mail: bolkhov@isp.nsc.ru; Gutakovskii, A. K.; Deryabin, A. S.

2016-11-15

The Ge/Ge{sub x}Si{sub 1–x}/Si(001) (x = 0.2–0.6) heterostructures grown by the molecular epitaxy method are analyzed using high-resolution electron microscopy with atomic resolution. The thickness of the Ge{sub x}Si{sub 1–x} buffer layer is 7–35 nm. It is shown that such heterostructures relax in two stages: an ordered network of edge dislocations is formed during their growth (500°C) at the Ge/GeSi interface and then, contrary to the generally accepted opinion concerning their immobility, some of the edge dislocations move through the buffer GeSi layer to the GeSi/Si(001) interface during annealing at higher temperatures and x > 0.3. It is found thatmore » plastic relaxation of the GeSi buffer layer occurs due to motion of dislocation complexes of the edge type, consisting of a pair of complementary 60° dislocations with the ends of (111) extra planes located approximately at a distance from 2 to 12 interplanar spacings. It is shown that the penetration of dislocation complexes into the GeSi buffer layer and further to the GeSi/Si interface is intensified with increasing annealing temperature (600–800°C) and the fraction of Ge in the buffer layer.« less

White beam analysis of coupling between precipitation and plasticdeformation during electromigration in a passivated Al(0.5wt. percent Cu)interconnect

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barabash, R.I.; Ice, G.E.; Tamura, N.

2005-09-01

The scaling of device dimensions with a simultaneous increase in functional density imposes a challenge to materials technology and reliability of interconnects. White beam X-ray microdiffraction is particularly well suited for the in situ study of electromigration. M.A. Krivoglaz theory was applied for the interpretation of white beam diffraction. The technique was used to probe microstructure in interconnects and has recently been able to monitor the onset of plastic deformation induced by mass transport during electromigration in Al(Cu) lines even before any macroscopic damage became visible. In the present paper, we demonstrate that the evolution of the dislocation structure duringmore » electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed geometrically necessary dislocations as well as geometrically necessary dislocation boundaries. When almost all unpaired dislocations and dislocation walls with the density n+ are parallel (as in the case of Al-based interconnects), the anisotropy in the scattering properties of the material becomes important, and the electrical properties of the interconnect depend strongly on the direction of the electric current relative to the orientation of the dislocation network. A coupling between the dissolution, growth and reprecipitation of Al2Cu precipitates and the electromigration-induced plastic deformation of grains in interconnects is observed.« less

Calculations of critical misfit and thickness: An overview

NASA Technical Reports Server (NTRS)

Vandermerwe, Jan H.; Jesser, W. A.

1988-01-01

This overview stresses the equilibrium/nonequilibrium nature of the physical properties, as well as the basic properties of the models, used to calculate critical misfit and critical thickness in epitaxy.

The advantages of logarithmically scaled data for electromagnetic inversion

NASA Astrophysics Data System (ADS)

Wheelock, Brent; Constable, Steven; Key, Kerry

2015-06-01

Non-linear inversion algorithms traverse a data misfit space over multiple iterations of trial models in search of either a global minimum or some target misfit contour. The success of the algorithm in reaching that objective depends upon the smoothness and predictability of the misfit space. For any given observation, there is no absolute form a datum must take, and therefore no absolute definition for the misfit space; in fact, there are many alternatives. However, not all misfit spaces are equal in terms of promoting the success of inversion. In this work, we appraise three common forms that complex data take in electromagnetic geophysical methods: real and imaginary components, a power of amplitude and phase, and logarithmic amplitude and phase. We find that the optimal form is logarithmic amplitude and phase. Single-parameter misfit curves of log-amplitude and phase data for both magnetotelluric and controlled-source electromagnetic methods are the smoothest of the three data forms and do not exhibit flattening at low model resistivities. Synthetic, multiparameter, 2-D inversions illustrate that log-amplitude and phase is the most robust data form, converging to the target misfit contour in the fewest steps regardless of starting model and the amount of noise added to the data; inversions using the other two data forms run slower or fail under various starting models and proportions of noise. It is observed that inversion with log-amplitude and phase data is nearly two times faster in converging to a solution than with other data types. We also assess the statistical consequences of transforming data in the ways discussed in this paper. With the exception of real and imaginary components, which are assumed to be Gaussian, all other data types do not produce an expected mean-squared misfit value of 1.00 at the true model (a common assumption) as the errors in the complex data become large. We recommend that real and imaginary data with errors larger than 10 per cent of the complex amplitude be withheld from a log-amplitude and phase inversion rather than retaining them with large error-bars.

Using the Bootstrap Method to Evaluate the Critical Range of Misfit for Polytomous Rasch Fit Statistics.

PubMed

Seol, Hyunsoo

2016-06-01

The purpose of this study was to apply the bootstrap procedure to evaluate how the bootstrapped confidence intervals (CIs) for polytomous Rasch fit statistics might differ according to sample sizes and test lengths in comparison with the rule-of-thumb critical value of misfit. A total of 25 simulated data sets were generated to fit the Rasch measurement and then a total of 1,000 replications were conducted to compute the bootstrapped CIs under each of 25 testing conditions. The results showed that rule-of-thumb critical values for assessing the magnitude of misfit were not applicable because the infit and outfit mean square error statistics showed different magnitudes of variability over testing conditions and the standardized fit statistics did not exactly follow the standard normal distribution. Further, they also do not share the same critical range for the item and person misfit. Based on the results of the study, the bootstrapped CIs can be used to identify misfitting items or persons as they offer a reasonable alternative solution, especially when the distributions of the infit and outfit statistics are not well known and depend on sample size. © The Author(s) 2016.

Effect of casting atmosphere on the marginal deficiency and misfit of Ni-Cr alloys with and without beryllium.

PubMed

da Silva, Leandro J; Leal, Monica B; Valente, Mariana L C; de Castro, Denise T; Pagnano, Valéria O; Dos Reis, Andréa C; Bezzon, Osvaldo L

2017-07-01

The marginal adaptation of prosthetic crowns is still a significant clinical problem. The purpose of this in vitro study was to evaluate the marginal deficiency and misfit of Ni-Cr alloys with and without beryllium under different casting conditions. Four casting conditions were selected: flame-torch, induction/argon, induction/vacuum, and induction/air; and 2 alloys were used, Ni-Cr-Be and Ni-Cr. For each group, 10 metal specimens were prepared. Silicone indirect impressions and analysis of the degree of rounding were used to evaluate the marginal deficiencies of metal copings, and a standardized device for the setting pressure associated with optical microscopy was used to analyze the marginal misfit. Results were evaluated with 2-way ANOVA (α=.05), followed by the Tukey honest significant difference post hoc test, and the Pearson correlation test (α=.05). Alloy (P<.001) and casting technique (P<.001) were shown to affect marginal deficiencies. The Ni-Cr cast using the torch technique showed the highest marginal deficiency, and the Ni-Cr-Be cast in a controlled argon atmosphere showed the lowest (P<.001). Alloy (P=.472) and casting techniques (P=.206) did not affect the marginal misfit, but significant differences were found in the interaction (P=.001); the lowest misfit was achieved using the Ni-Cr-Be, and the highest misfit occurred with the molten Ni-Cr, using the cast torch technique. No correlation was found between deficiency and marginal misfit (r=.04, P=.69). The interactions demonstrated that the alloy containing beryllium that was cast in an argon atmosphere led to reduced marginal deficiency. Improved marginal adaptation can be achieved for the same alloy by using the torch technique. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Precision Fit of Screw-Retained Implant-Supported Fixed Dental Prostheses Fabricated by CAD/CAM, Copy-Milling, and Conventional Methods.

PubMed

de França, Danilo Gonzaga; Morais, Maria Helena; das Neves, Flávio D; Carreiro, Adriana Fonte; Barbosa, Gustavo As

The aim of this study was to evaluate the effectiveness of fabrication methods (computer-aided design/computer-aided manufacture [CAD/CAM], copy-milling, and conventional casting) in the fit accuracy of three-unit, screw-retained fixed dental prostheses. Sixteen three-unit implant-supported screw-retained frameworks were fabricated to fit an in vitro model. Eight frameworks were fabricated using the CAD/CAM system, four in zirconia and four in cobalt-chromium. Four zirconia frameworks were fabricated using the copy-milled system, and four were cast in cobalt-chromium using conventional casting with premachined abutments. The vertical and horizontal misfit at the implant-framework interface was measured using scanning electron microscopy at ×250. The results for vertical misfit were analyzed using Kruskal-Wallis and Mann-Whitney tests. The horizontal misfits were categorized as underextended, equally extended, or overextended. Statistical analysis established differences between groups according to the chi-square test (α = .05). The mean vertical misfit was 5.9 ± 3.6 μm for CAD/CAM-fabricated zirconia, 1.2 ± 2.2 μm for CAD/CAM-fabricated cobalt-chromium frameworks, 7.6 ± 9.2 μm for copy-milling-fabricated zirconia frameworks, and 11.8 (9.8) μm for conventionally fabricated frameworks. The Mann-Whitney test revealed significant differences between all but the zirconia-fabricated frameworks. A significant association was observed between the horizontal misfits and the fabrication method. The percentage of horizontal misfits that were underextended and overextended was higher in milled zirconia (83.3%), CAD/CAM cobaltchromium (66.7%), cast cobalt-chromium (58.3%), and CAD/CAM zirconia (33.3%) frameworks. CAD/CAM-fabricated frameworks exhibit better vertical misfit and low variability compared with copy-milled and conventionally fabricated frameworks. The percentage of interfaces equally extended was higher when CAD/CAM and zirconia were used.

MISFITS: evaluating the goodness of fit between a phylogenetic model and an alignment.

PubMed

Nguyen, Minh Anh Thi; Klaere, Steffen; von Haeseler, Arndt

2011-01-01

As models of sequence evolution become more and more complicated, many criteria for model selection have been proposed, and tools are available to select the best model for an alignment under a particular criterion. However, in many instances the selected model fails to explain the data adequately as reflected by large deviations between observed pattern frequencies and the corresponding expectation. We present MISFITS, an approach to evaluate the goodness of fit (http://www.cibiv.at/software/misfits). MISFITS introduces a minimum number of "extra substitutions" on the inferred tree to provide a biologically motivated explanation why the alignment may deviate from expectation. These extra substitutions plus the evolutionary model then fully explain the alignment. We illustrate the method on several examples and then give a survey about the goodness of fit of the selected models to the alignments in the PANDIT database.

Orientation dependence of phase diagrams and physical properties in epitaxial Ba0.6Sr0.4TiO3 films

NASA Astrophysics Data System (ADS)

Qiu, J. H.; Zhao, T. X.; Chen, Z. H.; Yuan, N. Y.; Ding, J. N.

2018-04-01

Orientation dependence of phase diagrams and physical properties of Ba0.6Sr0.4TiO3 films are investigated by using a phenomenological Landau-Devonshire theory. New ferroelectric phases, such as the tetragonal a1 phase and the orthorhombic a2 c phase in (110) oriented film and the monoclinic MA phase in (111) oriented film, appear in the "misfit strain-temperature" phase diagrams as compared with (001) oriented film. Moreover, the phase diagrams of (110) and (111) oriented films are more complex than that of (001) oriented film due to the nonlinear coupling terms appeared in the thermodynamic potential. The dielectric and piezoelectric properties largely depend on the misfit strain and orientation. (111) oriented film has the better piezoelectric property than (110) oriented film. Furthermore, the compressive misfit strain is prone to induce the larger piezoelectric property than tensile misfit strain.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulvestad, A.; Welland, M. J.; Cha, W.

Crystallographic imperfections can significantly alter material properties and responses to external stimuli, including solute induced phase transformations and crystal growth and dissolution . Despite recent progress in imaging defects using both electron and x-ray techniques, in situ three-dimensional imaging studies of defect dynamics, necessary to understand and engineer nanoscale processes, remains challenging. Here, we report in situ three-dimensional imaging of defect dynamics during the hydriding phase transformation of individual palladium nanocrystals by Bragg Coherent Diffractive Imaging (BCDI) . During constant pressure experiments, we observed that the phase transformation begins after the nucleation of dislocations in large (300 nm) particles. Themore » 3D dislocation network shows that dislocations are close to the phase boundary. The 3D phase morphology resolved by BCDI suggests that the hydrogen-rich phase is more similar to a spherical cap on the hydrogen-poor phase than the core-shell model commonly assumed. We substantiate this conclusion using 3D phase field modeling and demonstrate how phase morphology affects the critical size for dislocation nucleation. We determine the size dependence of the transformation pressure for large (150-300 nm) palladium nanocrystals using variable pressure experiments. Our results reveal a pathway for solute induced structural phase transformations in nanocrystals and demonstrate BCDI as a novel method for understanding dislocation dynamics in phase transforming systems at the nanoscale.« less

Characterization of crack-tip microstructures via synchrotron fractography in Mo and Mo-Nb alloy crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hmelo, A.B.

1987-01-01

The nature of the plastic relaxation associated with the semi-brittle cleavage fracture of a series of pre-cracked molybdenum-niobium alloy single crystals was investigated as a function of composition and temperature from 77/sup 0/ to 298/sup 0/K. Conventional optical microscopy and white-beam Synchrotron X-Ray Fractography (SXRF) were used to examined the structure of a thin layer a few microns thick at the remnant of the precursor crack plastic zone. The plastic work of fracture was evaluated by measuring the lattice curvature associated with networks of dislocations beneath the cleavage surface. Using SXRF, lattice curvature is detected as asterism on photographic plates,more » and is associated with an excess density of edge dislocations of one sign. The results are in qualitative agreement with a previous determination of the fracture toughness of these specimens. Excess edge-dislocation density of one sign has been shown to vary as a function of temperature and composition, in a way consistent with previous studies of total dislocation content in these materials. Unlike the etch-pit analysis that can reveal the total dislocation content only, the tensor bases analysis described here allows the activity on individual slip systems to be distinguished.« less

Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Bingpo; Cai, Chunfeng; Jin, Shuqiang; Ye, Zhenyu; Wu, Huizhen; Qi, Zhen

2014-07-01

Step-scan Fourier-transform infrared photoreflectance and modulated photoluminescence spectroscopy were used to characterize the optical transitions of the epitaxial PbTe thin film grown by molecular beam epitaxy on BaF2 (111) substrate in the vicinity of energy gap of lead telluride at 77 K. It is found that the intrinsic defect energy levels in the electronic structure are of resonant nature. The Te-vacancy energy level is located above the conduction band minimum by 29.1 meV. Another defect (VX) energy level situated below valance band maximum by 18.1 meV is also revealed. Whether it is associated with the Pb vacancy is still not clear. It might also be related to the misfit dislocations stemming from the lattice mismatch between PbTe and BaF2 substrate. The experimental results support the theory prediction (N. J. Parada and G. W. Pratt, Jr., Phys. Rev. Lett. 22, 180 (1969), N. J. Parada, Phys. Rev. B 3, 2042 (1971)) and are consistent with the reported Hall experimental results (G. Bauer, H. Burkhard, H. Heinrich, and A. Lopez-Otero, J. Appl. Phys. 47, 1721 (1976)).

Geodetic slip model of the 3 September 2016 Mw 5.8 Pawnee, Oklahoma, earthquake: Evidence for fault‐zone collapse

USGS Publications Warehouse

Pollitz, Fred; Wicks, Charles W.; Schoenball, Martin; Ellsworth, William L.; Murray, Mark

2017-01-01

The 3 September 2016 Mw 5.8 Pawnee earthquake in northern Oklahoma is the largest earthquake ever recorded in Oklahoma. The coseismic deformation was measured with both Interferometric Synthetic Aperture Radar and Global Positioning System (GPS), with measureable signals of order 1 cm and 1 mm, respectively. We derive a coseismic slip model from Sentinel‐1A and Radarsat 2 interferograms and GPS static offsets, dominated by distributed left‐lateral strike slip on a primary west‐northwest–east‐southeast‐trending subvertical plane, whereas strike slip is concentrated near the hypocenter (5.6 km depth), with maximum slip of ∼1  m located slightly east and down‐dip of the hypocenter. Based on systematic misfits of observed interferogram line‐of‐sight (LoS) displacements, with LoS based on shear‐dislocation models, a few decimeters of fault‐zone collapse are inferred in the hypocentral region where coseismic slip was the largest. This may represent the postseismic migration of large volumes of fluid away from the high‐slip areas, made possible by the creation of a temporary high‐permeability damage zone around the fault.

The role of SiGe buffer in growth and relaxation of Ge on free-standing Si(001) nano-pillars.

PubMed

Zaumseil, P; Kozlowski, G; Schubert, M A; Yamamoto, Y; Bauer, J; Schülli, T U; Tillack, B; Schroeder, T

2012-09-07

We study the growth and relaxation processes of Ge nano-clusters selectively grown by chemical vapor deposition on free-standing 90 nm wide Si(001) nano-pillars with a thin Si(0.23)Ge(0.77) buffer layer. We found that the dome-shaped SiGe layer with a height of about 28 nm as well as the Ge dot deposited on top of it partially relaxes, mainly by elastic lattice bending. The Si nano-pillar shows a clear compliance behavior-an elastic response of the substrate on the growing film-with the tensile strained top part of the pillar. Additional annealing at 800 °C leads to the generation of misfit dislocation and reduces the compliance effect significantly. This example demonstrates that despite the compressive strain generated due to the surrounding SiO(2) growth mask it is possible to realize an overall tensile strain in the Si nano-pillar and following a compliant substrate effect by using a SiGe buffer layer. We further show that the SiGe buffer is able to improve the structural quality of the Ge nano-dot.

X-ray characterization of Ge dots epitaxially grown on nanostructured Si islands on silicon-on-insulator substrates

PubMed Central

Zaumseil, Peter; Kozlowski, Grzegorz; Yamamoto, Yuji; Schubert, Markus Andreas; Schroeder, Thomas

2013-01-01

On the way to integrate lattice mismatched semiconductors on Si(001), the Ge/Si heterosystem was used as a case study for the concept of compliant substrate effects that offer the vision to be able to integrate defect-free alternative semiconductor structures on Si. Ge nanoclusters were selectively grown by chemical vapour deposition on Si nano-islands on silicon-on-insulator (SOI) substrates. The strain states of Ge clusters and Si islands were measured by grazing-incidence diffraction using a laboratory-based X-ray diffraction technique. A tensile strain of up to 0.5% was detected in the Si islands after direct Ge deposition. Using a thin (∼10 nm) SiGe buffer layer between Si and Ge the tensile strain increases to 1.8%. Transmission electron microscopy studies confirm the absence of a regular grid of misfit dislocations in such structures. This clear experimental evidence for the compliance of Si nano-islands on SOI substrates opens a new integration concept that is not only limited to Ge but also extendable to semiconductors like III–V and II–VI materials. PMID:24046490

Stress distribution in fixed-partial prosthesis and peri-implant bone tissue with different framework materials and vertical misfit levels: a three-dimensional finite element analysis.

PubMed

Bacchi, Ataís; Consani, Rafael L X; Mesquita, Marcelo F; dos Santos, Mateus B F

2013-09-01

The purpose of this study was to evaluate the influence of superstructure material and vertical misfits on the stresses created in an implant-supported partial prosthesis. A three-dimensional (3-D) finite element model was prepared based on common clinical data. The posterior part of a severely resorbed jaw with two osseointegrated implants at the second premolar and second molar regions was modeled using specific modeling software (SolidWorks 2010). Finite element models were created by importing the solid model into mechanical simulation software (ANSYS Workbench 11). The models were divided into groups according to the prosthesis framework material (type IV gold alloy, silver-palladium alloy, commercially pure titanium, cobalt-chromium alloy, or zirconia) and vertical misfit level (10 µm, 50 µm, and 100 µm) created at one implant-prosthesis interface. The gap of the vertical misfit was set to be closed and the stress values were measured in the framework, porcelain veneer, retention screw, and bone tissue. Stiffer materials led to higher stress concentration in the framework and increased stress values in the retention screw, while in the same circumstances, the porcelain veneer showed lower stress values, and there was no significant difference in stress in the peri-implant bone tissue. A considerable increase in stress concentration was observed in all the structures evaluated within the misfit amplification. The framework material influenced the stress concentration in the prosthetic structures and retention screw, but not that in bone tissue. All the structures were significantly influenced by the increase in the misfit levels.

A paradigm for viewing biologic systems as scale-free networks based on energy efficiency: implications for present therapies and the future of evolution.

PubMed

Yun, Anthony J; Lee, Patrick Y; Doux, John D

2006-01-01

A network constitutes an abstract description of the relationships among entities, respectively termed links and nodes. If a power law describes the probability distribution of the number of links per node, the network is said to be scale-free. Scale-free networks feature link clustering around certain hubs based on preferential attachments that emerge due either to merit or legacy. Biologic systems ranging from sub-atomic to ecosystems represent scale-free networks in which energy efficiency forms the basis of preferential attachments. This paradigm engenders a novel scale-free network theory of evolution based on energy efficiency. As environmental flux induces fitness dislocations and compels a new meritocracy, new merit-based hubs emerge, previously merit-based hubs become legacy hubs, and network recalibration occurs to achieve system optimization. To date, Darwinian evolution, characterized by innovation sampling, variation, and selection through filtered termination, has enabled biologic progress through optimization of energy efficiency. However, as humans remodel their environment, increasing the level of unanticipated fitness dislocations and inducing evolutionary stress, the tendency of networks to exhibit inertia and retain legacy hubs engender maladaptations. Many modern diseases may fundamentally derive from these evolutionary displacements. Death itself may constitute a programmed adaptation, terminating individuals who represent legacy hubs and recalibrating the network. As memes replace genes as the basis of innovation, death itself has become a legacy hub. Post-Darwinian evolution may favor indefinite persistence to optimize energy efficiency. We describe strategies to reprogram or decommission legacy hubs that participate in human disease and death.

Spontaneous-curvature theory of clathrin-coated membranes.

PubMed Central

Mashl, R J; Bruinsma, R F

1998-01-01

Clathrin-coated membranes are precursors to coated vesicles in the receptor-mediated endocytic pathway. In this paper we present a physical model for the first steps of the transformation of a clathrin-coated membrane into a coated vesicle. The theory is based on in vitro cytoplasmic acidification experiments of Heuser (J. Cell Biol. 108:401-411) that suggest the transformation proceeds by changes in the chemical environment of the clathrin lattice, wherein the chemical environment determines the amount of intrinsic, or spontaneous, curvature of the network. We show that a necessary step of the transformation, formation of free pentagons in the clathrin network, can proceed via dislocation unbinding, driven by changes in the spontaneous curvature. Dislocation unbinding is shown to favor formation of coated vesicles that are quite small compared to those predicted by the current continuum theories, which do not include the topology of the clathrin lattice. PMID:9635740

Cuboidal-to-pyramidal shape transition of a strained island on a substrate

NASA Astrophysics Data System (ADS)

Abbes, Fatima Z.; Durinck, Julien; Talea, Mohamed; Grilhé, Jean; Colin, Jérôme

2017-10-01

The stability of a strained cuboidal island deposited on a substrate has been numerically investigated by means of finite element simulations in the case where the structure is submitted to misfit strain resulting from the lattice mismatch between the island and the substrate. In the hypothesis where the surface energy is isotropic, it is found that, depending on the island volume, the formation of a truncated or inverted truncated pyramid can be favored by the misfit strain with respect to the cuboidal shape. A shape diagram is finally provided as a function of the misfit strain and island volume.

Misfit of implant prostheses and its impact on clinical outcomes. Definition, assessment and a systematic review of the literature.

PubMed

Katsoulis, Joannis; Takeichi, Takuro; Sol Gaviria, Ana; Peter, Lukas; Katsoulis, Konstantinos

Compromised fit between the contact surfaces of screw-retained implant-supported fixed dentures (IFDs) is thought to create uncontrolled strains in the prosthetic components and peri-implant tissues, thus evoking biological and technical complications such as bone loss, screw loosening, component fractures and, at worst, loss of implants or prostheses. The aim of this systematic review was to evaluate the impact of marginal misfit on the clinical outcomes of IFDs, and to elucidate definition and assessment methods for passive fit. A systematic review of the literature was conducted with a PICO question: "For partially or complete edentulous subjects with screw-retained IFDs, does the marginal misfit at the implant-prosthesis interfaces have an impact on the clinical outcomes?". A literature search was performed electronically in PubMed (MEDLINE) with the help of Boolean operators to combine key words, and by hand search in relevant journals. English written in vivo studies published before August 31, 2016 that reported on both clinical outcome and related implant prosthesis misfit (gap, strains, torque) were selected using predetermined inclusion criteria. The initial search yielded 2626 records. After screening and a subsequent filtering process, five human and five animal studies were included in the descriptive analysis. The selected studies used different methods to assess misfit (linear distortion, vertical gap, strains, screw torque). While two human studies evaluated the biological response and technical complications prospectively over 6 and 12 months, the animal studies had an observation period < 12 weeks. Four human studies analysed retrospectively the 3 to 32 years' outcomes. Screw-related complications were observed, but biological sequelae could not be confirmed. Although the animal studies had different designs, bone adaptation and implant displacement was found in histological analyses. Due to the small number of studies and the heterogenic designs and misfit assessment methods, no meta-analysis of the data could be performed. The current literature provides insufficient evidence as to the effect of misfit at the prosthesis-implant interface on clinical outcomes of screw-retained implant-supported fixed dentures. Marginal gaps and static strains due to screw tightening were not found to have negative effects on initial osseointegration or peri-implant bone stability over time. Based on two clinical studies, the risk for technical screw-related complications was slightly higher. While the degree of tolerable misfit remains a matter of debate, the present data do not imply that clinicians neglect good fit, but aim to achieve the least misfit possible. Conflict of interest statement: The authors declare no conflict of interest. The review was conducted as part of the 2016 Foundation of Oral Rehabilitation Consensus Conference on "Prosthetic Protocols in Implant-based Oral Rehabilitation".

Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Long, Xue Hao; Wang, Dong; Setyawan, Wahyu

Evolution of an interstitial 1/2⟨111⟩ dislocation loop under tensile, shear, and torsion stresses is studied with molecular statics method. Under a tensile stress, the dependence of ultimate tensile strength on size of loop is calculated. The formation of small shear loops around the initial prismatic loop is confirmed as an intermediate state to form the final dislocation network. Under a shear stress, the rotation of a loop is observed not only by a change of the habit plane but also through a transformation between a shear and a prismatic loop. Under torsion, a perfect BCC crystal may undergo a BCCmore » to FCC or BCC to HCP transformation. The present work indicates that a 1/2⟨111⟩ loop can delay these transformations, resulting in the formation of micro-crack on the surface.« less

Adjustable magnetoelectric effect of self-assembled vertical multiferroic nanocomposite films by the in-plane misfit strain and ferromagnetic volume fraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Huaping, E-mail: wuhuaping@gmail.com; Department of Mechanical Engineering and Science, Kyoto University, Nishikyo-ku, Kyoto 615-8540; Chai, Guozhong

The strain-mediated magnetoelectric (ME) property of self-assembled vertical multiferroic nanocomposite films epitaxially grown on cubic substrates was calculated by a nonlinear thermodynamic theory combined with the elastic theory. The dependent relations of phase state of ferroelectric films with the in-plane misfit strain, out-of-plane misfit strain, temperature, and volume fraction of ferromagnetic phase were confirmed. The effects of in-plane misfit strain and ferromagnetic volume fraction on the polarization and dielectric constant of ferroelectric films at room temperature were elaborately analyzed for the vertical BaTiO{sub 3}-CoFe{sub 2}O{sub 4} and PbTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films. Our calculated results confirmed the relationship amongmore » ME effect and in-plane misfit strain and ferromagnetic volume fraction in the nanocomposite films. The ME voltage coefficients of vertical BaTiO{sub 3}-CoFe{sub 2}O{sub 4} and PbTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films displayed various maximums and abrupt points at special phases and phase transition boundaries. The ME voltage coefficients of lead-free BaTiO{sub 3}-CoFe{sub 2}O{sub 4} nanocomposite films epitaxially grown on different substrates could reach a comparative value of ∼2 V·cm{sup −1}·Oe{sup −1} under the controllable in-plane misfit strain induced by substrate clamping. Our results provided an available method for the optimal design of vertical multiferroic nanocomposites with adjustable ME effect by optimizing the ferromagnetic volume fraction and substrate type.« less

Finite-frequency tomography using adjoint methods-Methodology and examples using membrane surface waves

NASA Astrophysics Data System (ADS)

Tape, Carl; Liu, Qinya; Tromp, Jeroen

2007-03-01

We employ adjoint methods in a series of synthetic seismic tomography experiments to recover surface wave phase-speed models of southern California. Our approach involves computing the Fréchet derivative for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a 2-D spectral-element method (SEM) and a phase-speed model for southern California. A `target' phase-speed model is used to generate the `data' at the receivers. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the remaining differences between data and synthetics are time-reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernels. An event kernel may be thought of as a weighted sum of phase-specific (e.g. P) banana-doughnut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, that is, the Fréchet derivative. A non-linear conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. We illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions and joint source-structure inversions. Finally, we draw connections between classical Hessian-based tomography and gradient-based adjoint tomography.

The influence of different screw tightening forces on the vertical misfit of implant-supported frameworks.

PubMed

Vasconcellos, Diego Klee de; Bottino, Marco Antonio; Nishioka, Renato Sussumu; Valandro, Luiz Felipe; Costa, Elza Maria Valadares da

2005-06-01

The present in vitro study was designed to compare the differences in the vertical misfit of implant-supported frameworks using three different forces for tightening the bridge locking screws: fastening by hand until first resistance, and using torque drivers with 10 and 20Ncm. The investigation was conducted based on the results given by 9 six-unit nickel-chromium (2 abutments/ 4 pontics) screw-retained implant-supported frameworks. The structures were exposed to simulated porcelain firings. The marginal misfit measurements were made using a traveling measuring microscope at selected screw tightening forces: fastening by hand until first resistance, and using torque drivers with 10 and 20Ncm. The results were submitted to one-way ANOVA with repeated measures on one factor, and post hoc pairwise comparisons using Tukey test (5%). The mean marginal misfit of the frameworks, fastening the screws by hand until first resistance, was 41.56µm (SD±12.45µm). The use of torque driver devices caused a significant reduction in marginal opening (p<0.05). With the lowest torque available (10Ncm), the mean marginal discrepancy at the abutment-framework interface was reduced an average of 52% to a mean marginal opening of 19.71µm (SD±2.97µm). After the use of the 20Ncm torque driver, the mean marginal discrepancy of the frameworks was reduced an average of 69% to a mean marginal opening of 12.82µm (SD±4.0µm). Comparing the use of torque drivers with 10 and 20 Ncm torque, the means are not significantly different from one another. The seating force has an important effect on the vertical misfit measurements, once it may considerably narrow the vertical misfit gaps at the abutment-framework interface, thus leading to a misjudgment of the real marginal situation.

New 3D technologies applied to assess the long-term clinical effects of misfit of the full jaw fixed prosthesis on dental implants.

PubMed

Jokstad, Asbjørn; Shokati, Babak

2015-10-01

To assess implant:suprastructure misfit in patients with an edentulous jaw restored by an implant-retained fixed dental prosthesis (FDP) and its association with biologic and mechanical adverse events over an extensive period. Thirty patients with an edentulous mandible treated with implant-supported prosthetics before 2000 were examined clinically in 2012. Each patient had received 4 to 6 implants to retain a FDP made from acrylic and three different metal alloys, that is, Ag-Pd, Pd-Ag, and Au type IV. The implant intra-oral locations were recorded digitally by use of an intra-oral scanner, and the intaglio surface of the detached FDP was recorded using a desktop scanner. The fit was estimated by digital matching of the STL files using industrial metrological software. The average misfit was correlated with the average marginal bone loss and the prevalence of screw loosening or fractures, using the patient as the statistical unit. Over an average of 19 years (range 12 to 32), 5 implants had been lost in 4 participants (96.7% implant survival) and 8 eight prostheses (26.7%) had been remade. Anaverage misfit was 150 μm (SD 35, range 95-232, CI 138-163). An average marginal bone loss of 2.2 mm (SD = 0.7) had occurred (range 0.6 to 5.8 mm) for individual implants. The correlation between framework misfit and marginal bone loss was weak (R² = 0.04) (P = 0.29). The prostheses with a history of screw-related adverse events showed average misfit of 169 μm (SD = 32) vs. those with no history of screw-related adverse events, that is, 134 μm (SD = 30) (P = 0.005, Student's t-test). Fourteen of the 30 participants had experienced at least one incidence of screw loosening or fracture of prosthetic or abutment screw(s) over the period of follow-up. The occurrence among the frameworks fabricated with different metal alloys did not differ (P > 0.05, Fisher's exact test). Combining STL files with best-fit algorithms to appraise misfit is feasible using metrological software. The effect of misfit between the superstructures on its supporting implants up to ~230 μm on the long-term clinical outcomes appears to be minor, apart from a slightly higher risk of screw-related adverse events. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Prosthetic misfit of implant-supported prosthesis obtained by an alternative section method

PubMed Central

Falcão-Filho, Hilmo Barreto Leite; de Aguiar, Fábio Afrânio; Rodrigues, Renata Cristina Silveira; de Mattos, Maria da Gloria Chiarello; Ribeiro, Ricardo Faria

2012-01-01

PURPOSE Adequate passive-fitting of one-piece cast 3-element implant-supported frameworks is hard to achieve. This short communication aims to present an alternative method for section of one-piece cast frameworks and for casting implant-supported frameworks. MATERIALS AND METHODS Three-unit implant-supported nickel-chromium (Ni-Cr) frameworks were tested for vertical misfit (n = 6). The frameworks were cast as one-piece (Group A) and later transversally sectioned through a diagonal axis (Group B) and compared to frameworks that were cast diagonally separated (Group C). All separated frameworks were laser welded. Only one side of the frameworks was screwed. RESULTS The results on the tightened side were significantly lower in Group C (6.43 ± 3.24 µm) when compared to Groups A (16.50 ± 7.55 µm) and B (16.27 ± 1.71 µm) (P<.05). On the opposite side, the diagonal section of the one-piece castings for laser welding showed significant improvement in the levels of misfit of the frameworks (Group A, 58.66±14.30 µm; Group B, 39.48±12.03 µm; Group C, 23.13±8.24 µm) (P<.05). CONCLUSION Casting diagonally sectioned frameworks lowers the misfit levels. Lower misfit levels for the frameworks can be achieved by diagonally sectioning one-piece frameworks. PMID:22737313

Job-Occupation Misfit as an Occupational Stressor

ERIC Educational Resources Information Center

Ford, Michael T.

2012-01-01

Drawing from theory on met expectations, person-environment fit, and social information processing, misfit between the pressure and autonomy experienced by workers and that which would be expected given their occupational roles was examined as a predictor of job satisfaction, perceived support, and depression. Results from a nationally (U.S.)…

Improved source inversion from joint measurements of translational and rotational ground motions

NASA Astrophysics Data System (ADS)

Donner, S.; Bernauer, M.; Reinwald, M.; Hadziioannou, C.; Igel, H.

2017-12-01

Waveform inversion for seismic point (moment tensor) and kinematic sources is a standard procedure. However, especially in the local and regional distances a lack of appropriate velocity models, the sparsity of station networks, or a low signal-to-noise ratio combined with more complex waveforms hamper the successful retrieval of reliable source solutions. We assess the potential of rotational ground motion recordings to increase the resolution power and reduce non-uniquenesses for point and kinematic source solutions. Based on synthetic waveform data, we perform a Bayesian (i.e. probabilistic) inversion. Thus, we avoid the subjective selection of the most reliable solution according the lowest misfit or other constructed criterion. In addition, we obtain unbiased measures of resolution and possible trade-offs. Testing different earthquake mechanisms and scenarios, we can show that the resolution of the source solutions can be improved significantly. Especially depth dependent components show significant improvement. Next to synthetic data of station networks, we also tested sparse-network and single station cases.

Coherency strain and its effect on ionic conductivity and diffusion in solid electrolytes--an improved model for nanocrystalline thin films and a review of experimental data.

PubMed

Korte, C; Keppner, J; Peters, A; Schichtel, N; Aydin, H; Janek, J

2014-11-28

A phenomenological and analytical model for the influence of strain effects on atomic transport in columnar thin films is presented. A model system consisting of two types of crystalline thin films with coherent interfaces is assumed. Biaxial mechanical strain ε0 is caused by lattice misfit of the two phases. The conjoined films consist of columnar crystallites with a small diameter l. Strain relaxation by local elastic deformation, parallel to the hetero-interface, is possible along the columnar grain boundaries. The spatial extent δ0 of the strained hetero-interface regions can be calculated, assuming an exponential decay of the deformation-forces. The effect of the strain field on the local ionic transport in a thin film is then calculated by using the thermodynamic relation between (isostatic) pressure and free activation enthalpy ΔG(#). An expression describing the total ionic transport relative to bulk transport of a thin film or a multilayer as a function of the layer thickness is obtained as an integral average over strained and unstrained regions. The expression depends only on known material constants such as Young modulus Y, Poisson ratio ν and activation volume ΔV(#), which can be combined as dimensionless parameters. The model is successfully used to describe own experimental data from conductivity and diffusion studies. In the second part of the paper a comprehensive literature overview of experimental studies on (fast) ion transport in thin films and multilayers along solid-solid hetero-interfaces is presented. By comparing and reviewing the data the observed interface effects can be classified into three groups: (i) transport along interfaces between extrinsic ionic conductors (and insulator), (ii) transport along an open surface of an extrinsic ionic conductor and (iii) transport along interfaces between intrinsic ionic conductors. The observed effects in these groups differ by about five orders of magnitude in a very consistent way. The modified interface transport in group (i) is most probably caused by strain effects, misfit dislocations or disordered transition regions.

Lattice-Matched Semiconductor Layers on Single Crystalline Sapphire Substrate

NASA Technical Reports Server (NTRS)

Choi, Sang; King, Glen; Park, Yeonjoon

2009-01-01

SiGe is an important semiconductor alloy for high-speed field effect transistors (FETs), high-temperature thermoelectric devices, photovoltaic solar cells, and photon detectors. The growth of SiGe layer is difficult because SiGe alloys have different lattice constants from those of the common Si wafers, which leads to a high density of defects, including dislocations, micro-twins, cracks, and delaminations. This innovation utilizes newly developed rhombohedral epitaxy of cubic semiconductors on trigonal substrates in order to solve the lattice mismatch problem of SiGe by using trigonal single crystals like sapphire (Al2O3) as substrate to give a unique growth-orientation to the SiGe layer, which is automatically controlled at the interface upon sapphire (0001). This technology is different from previous silicon on insulator (SOI) or SGOI (SiGe on insulator) technologies that use amorphous SiO2 as the growth plane. A cubic semiconductor crystal is a special case of a rhombohedron with the inter-planar angle, alpha = 90 deg. With a mathematical transformation, all rhombohedrons can be described by trigonal crystal lattice structures. Therefore, all cubic lattice constants and crystal planes (hkl) s can be transformed into those of trigonal crystal parameters. These unique alignments enable a new opportunity of perfect lattice matching conditions, which can eliminate misfit dislocations. Previously, these atomic alignments were thought to be impossible or very difficult. With the invention of a new x-ray diffraction measurement method here, growth of cubic semiconductors on trigonal crystals became possible. This epitaxy and lattice-matching condition can be applied not only to SiGe (111)/sapphire (0001) substrate relations, but also to other crystal structures and other materials, including similar crystal structures which have pointgroup rotational symmetries by 120 because the cubic (111) direction has 120 rotational symmetry. The use of slightly miscut (less than plus or minus 10 deg.) sapphire (0001) substrate can be used to improve epitaxial relationships better by providing attractive atomic steps in the epitaxial process.

Atomic and electronic structures of BaHfO3-doped TFA-MOD-derived YBa2Cu3O7-δ thin films

NASA Astrophysics Data System (ADS)

Molina-Luna, Leopoldo; Duerrschnabel, Michael; Turner, Stuart; Erbe, Manuela; Martinez, Gerardo T.; Van Aert, Sandra; Holzapfel, Bernhard; Van Tendeloo, Gustaaf

2015-11-01

Tailoring the properties of oxide-based nanocomposites is of great importance for a wide range of materials relevant for energy technology. YBa2Cu3O7-δ (YBCO) superconducting thin films containing nanosized BaHfO3 (BHO) particles yield a significant improvement of the magnetic flux pinning properties and a reduced anisotropy of the critical current density. These films were prepared by chemical solution deposition (CSD) on (100) SrTiO3 (STO) substrates yielding critical current densities up to 3.6 MA cm-2 at 77 K and self-field. Transport in-field J c measurements demonstrated a high pinning force maximum of around 6 GN/m3 for a sample annealed at T = 760 °C that has a doping of 12 mol% of BHO. This sample was investigated by scanning transmission electron microscopy (STEM) in combination with electron energy-loss spectroscopy (EELS) yielding strain and spectral maps. Spherical BHO nanoparticles of 15 nm in size were found in the matrix, whereas the particles at the interface were flat. A 2 nm diffusion layer containing Ti was found at the YBCO (BHO)/STO interface. Local lattice deformation mapping at the atomic scale revealed crystal defects induced by the presence of both sorts of BHO nanoparticles, which can act as pinning centers for magnetic flux lines. Two types of local lattice defects were identified and imaged: (i) misfit edge dislocations and (ii) Ba-Cu-Cu-Ba stacking faults (Y-248 intergrowths). The local electronic structure and charge transfer were probed by high energy resolution monochromated electron energy-loss spectroscopy. This technique made it possible to distinguish superconducting from non-superconducting areas in nanocomposite samples with atomic resolution in real space, allowing the identification of local pinning sites on the order of the coherence length of YBCO (˜1.5 nm) and the determination of 0.25 nm dislocation cores.

Strain-induced nanostructure of Pb(Mg1/3Nb2/3)O3-PbTiO3 on SrTiO3 epitaxial thin films with low PbTiO3 concentration

NASA Astrophysics Data System (ADS)

Kiguchi, Takanori; Fan, Cangyu; Shiraishi, Takahisa; Konno, Toyohiko J.

2017-10-01

The singularity of the structure in (1 - x)Pb(Mg1/3Nb2/3)O3-xPbTiO3 (PMN-xPT) (x = 0-50 mol %) epitaxial thin films of 100 nm thickness was investigated from the viewpoint of the localized residual strain in the nanoscale. The films were deposited on SrTiO3 (STO) (001) single-crystal substrates by chemical solution deposition (CSD) using metallo-organic decomposition (MOD) solutions. X-ray and electron diffraction patterns revealed that PMN-xPT thin films included a single phase of the perovskite-type structure with the cube-on-cube orientation relationship between PMN-xPT and STO: (001)Film ∥ (001)Sub, [100]Film ∥ [100]Sub. X-ray reciprocal space maps showed an in-plane tensile strain in all the compositional ranges considered. Unit cells in the films were strained from the rhombohedral (pseudocubic) (R) phase to a lower symmetry crystal system, the monoclinic (MB) phase. The morphotropic phase boundary (MPB) that split the R and tetragonal (T) phases was observed at x = 30-35 for bulk crystals of PMN-xPT, whereas the strain suppressed the transformation from the R phase to the T phase in the films up to x = 50. High-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM) analysis and its related local strain analysis revealed that all of the films have a bilayer morphology. The nanoscale strained layer formed only above the film/substrate semi-coherent interface. The misfit dislocations generated the localized and periodic strain fields deformed the unit cells between the dislocation cores from the R to an another type of the monoclinic (MA) phase. Thus, the singular and localized residual strains in the PMN-xPT/STO (001) epitaxial thin films affect the phase stability around the MPB composition and result in the MPB shift phenomena.

Epitaxially influenced boundary layer model for size effect in thin metallic films

NASA Astrophysics Data System (ADS)

Bažant, Zdeněk P.; Guo, Zaoyang; Espinosa, Horacio D.; Zhu, Yong; Peng, Bei

2005-04-01

It is shown that the size effect recently observed by Espinosa et al., [J. Mech. Phys. Solids51, 47 (2003)] in pure tension tests on free thin metallic films can be explained by the existence of a boundary layer of fixed thickness, located at the surface of the film that was attached onto the substrate during deposition. The boundary layer is influenced by the epitaxial effects of crystal growth on the dislocation density and texture (manifested by prevalent crystal plane orientations). This influence is assumed to cause significantly elevated yield strength. Furthermore, the observed gradual postpeak softening, along with its size independence, which is observed in short film strips subjected to pure tension, is explained by slip localization, originating at notch-like defects, and by damage, which can propagate in a stable manner when the film strip under pure tension is sufficiently thin and short. For general applications, the present epitaxially influenced boundary layer model may be combined with the classical strain-gradient plasticity proposed by Gao et al., [J. Mech. Phys. Solids 47, 1239 (1999)], and it is shown that this combination is necessary to fit the test data on both pure tension and bending of thin films by one and the same theory. To deal with films having different crystal grain sizes, the Hall-Petch relation for the yield strength dependence on the grain size needs to be incorporated into the combined theory. For very thin films, in which a flattened grain fills the whole film thickness, the Hall-Petch relation needs a cutoff, and the asymptotic increase of yield strength with diminishing film thickness is then described by the extension of Nix's model of misfit dislocations by Zhang and Zhou [J. Adv. Mater. 38, 51 (2002)]. The final result is a proposal of a general theory for strength, size effect, hardening, and softening of thin metallic films.

Temperature evolution of the structural properties of monodomain ferroelectric thin film

NASA Astrophysics Data System (ADS)

Janolin, Pierre-Eymeric; Le Marrec, Françoise; Chevreul, Jacques; Dkhil, Brahim

2007-05-01

The structural evolution of epitaxial monodomain (only 180° domains) ferroelectric PbTiO3 thin film has been investigated, using high-resolution, temperature-dependent, x-ray diffraction. The full set of lattice parameters was obtained from room temperature up to 850K. It allowed the calculation of the different strains stored in the film at room temperature, underlying the difference between the mechanical strain and the misfit strain. The evolution of the misfit strain as a function of temperature was also calculated and was found to be consistent with the theoretical temperature-misfit strain phase diagram. These data strongly suggest that the film remains ferroelectric and tetragonal up to 940K.

Outlier Detection in High-Stakes Certification Testing.

ERIC Educational Resources Information Center

Meijer, Rob R.

2002-01-01

Used empirical data from a certification test to study methods from statistical process control that have been proposed to classify an item score pattern as fitting or misfitting the underlying item response theory model in computerized adaptive testing. Results for 1,392 examinees show that different types of misfit can be distinguished. (SLD)

Detection of Coal Fires: A Case Study Conducted on Indian Coal Seams Using Neural Network and Particle Swarm Optimization

NASA Astrophysics Data System (ADS)

Singh, B. B.

2016-12-01

India produces majority of its electricity from coal but a huge quantity of coal burns every day due to coal fires and also poses a threat to the environment as severe pollutants. In the present study we had demonstrated the usage of Neural Network based approach with an integrated Particle Swarm Optimization (PSO) inversion technique. The Self Potential (SP) data set is used for the early detection of coal fires. The study was conducted over the East Basuria colliery, Jharia Coal Field, Jharkhand, India. The causative source was modelled as an inclined sheet like anomaly and the synthetic data was generated. Neural Network scheme consists of an input layer, hidden layers and an output layer. The input layer corresponds to the SP data and the output layer is the estimated depth of the coal fire. A synthetic dataset was modelled with some of the known parameters such as depth, conductivity, inclination angle, half width etc. associated with causative body and gives a very low misfit error of 0.0032%. Therefore, the method was found accurate in predicting the depth of the source body. The technique was applied to the real data set and the model was trained until a very good correlation of determination `R2' value of 0.98 is obtained. The depth of the source body was found to be 12.34m with a misfit error percentage of 0.242%. The inversion results were compared with the lithologs obtained from a nearby well which corresponds to the L3 coal seam. The depth of the coal fire had exactly matched with the half width of the anomaly which suggests that the fire is widely spread. The inclination angle of the anomaly was 135.510 which resembles the development of the geometrically complex fracture planes. These fractures may be developed due to anisotropic weakness of the ground which acts as passage for the air. As a result coal fires spreads along these fracture planes. The results obtained from the Neural Network was compared with PSO inversion results and were found in complete agreement. PSO technique had already been found a well-established technique to model SP anomalies. Therefore for successful control and mitigation, SP surveys coupled with Neural Network and PSO technique proves to be novel and economical approach along with other existing geophysical techniques. Keywords: PSO, Coal fire, Self-Potential, Inversion, Neural Network

The More, the Better? Curvilinear Effects of Job Autonomy on Well-Being From Vitamin Model and PE-Fit Theory Perspectives.

PubMed

Stiglbauer, Barbara; Kovacs, Carrie

2017-12-28

In organizational psychology research, autonomy is generally seen as a job resource with a monotone positive relationship with desired occupational outcomes such as well-being. However, both Warr's vitamin model and person-environment (PE) fit theory suggest that negative outcomes may result from excesses of some job resources, including autonomy. Thus, the current studies used survey methodology to explore cross-sectional relationships between environmental autonomy, person-environment autonomy (mis)fit, and well-being. We found that autonomy and autonomy (mis)fit explained between 6% and 22% of variance in well-being, depending on type of autonomy (scheduling, method, or decision-making) and type of (mis)fit operationalization (atomistic operationalization through the separate assessment of actual and ideal autonomy levels vs. molecular operationalization through the direct assessment of perceived autonomy (mis)fit). Autonomy (mis)fit (PE-fit perspective) explained more unique variance in well-being than environmental autonomy itself (vitamin model perspective). Detrimental effects of autonomy excess on well-being were most evident for method autonomy and least consistent for decision-making autonomy. We argue that too-much-of-a-good-thing effects of job autonomy on well-being exist, but suggest that these may be dependent upon sample characteristics (range of autonomy levels), type of operationalization (molecular vs. atomistic fit), autonomy facet (method, scheduling, or decision-making), as well as individual and organizational moderators. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Meteorites found on Misfits Flat dry lake, Nevada

NASA Astrophysics Data System (ADS)

Harlan, Scott; Jenniskens, Peter; Zolensky, Michael E.; Yin, Qing-Zhu; Verosub, Kenneth L.; Rowland, Douglas J.; Sanborn, Matthew; Huyskens, Magdalena; Creager, Emily R.; Jull, A. J. Timothy

2016-04-01

Meteorites have been found on the small Misfits Flat dry lakebed near Stagecoach, Nevada (119.382W, +39.348N). Since the first find on Sept. 22, 2013, a total of 58 stones of weathering stage W2/3 with a combined mass of 339 g have been collected in 19 visits to the area. This small (3.3 × 3.6 km) lakebed is now a newly designated dense collection area (DCA). Most meteorites were found in a small 350 × 180 m area along the north shore and most are fragments of several broken individual stones. Three of these fragments were classified as an LL4/5 of shock stage S2, now named Misfits Flat 001, one of which (stone MF33) fell 8.1 ± 1.3 ka ago based on the 14C terrestrial age, assuming it came from a 20-80 cm diameter meteoroid. In addition, a small darkly crusted meteorite MF34, now named Misfits Flat 002, was found 820 m WSW from the main mass. This meteorite is classified as an LL5 ordinary chondrite with shock stage S4/5. The meteorite is saturated in 14C at 63 dpm kg-1, suggesting it originated from the center of a 0.5 m diameter meteoroid, or deep inside a ~1.0 m meteoroid, less than 300 yr ago. Accounts exist of a fireball seen at 13:15 UT on March 2, 1895, that are consistent with the find location of Misfits Flat 002.

Inversion for slip distribution using teleseismic P waveforms: North Palm Springs, Borah Peak, and Michoacan earthquakes

USGS Publications Warehouse

Mendoza, C.; Hartzell, S.H.

1988-01-01

We have inverted the teleseismic P waveforms recorded by stations of the Global Digital Seismograph Network for the 8 July 1986 North Palm Springs, California, the 28 October 1983 Borah Peak, Idaho, and the 19 September 1985 Michoacan, Mexico, earthquakes to recover the distribution of slip on each of the faults using a point-by-point inversion method with smoothing and positivity constraints. Results of the inversion indicate that the Global digital Seismograph Network data are useful for deriving fault dislocation models for moderate to large events. However, a wide range of frequencies is necessary to infer the distribution of slip on the earthquake fault. Although the long-period waveforms define the size (dimensions and seismic moment) of the earthquake, data at shorter period provide additional constraints on the variation of slip on the fault. Dislocation models obtained for all three earthquakes are consistent with a heterogeneous rupture process where failure is controlled largely by the size and location of high-strength asperity regions. -from Authors

Abutments with reduced diameter for both cement and screw retentions: analysis of failure modes and misfit of abutment-crown-connections after cyclic loading.

PubMed

Moris, Izabela Cristina Maurício; Faria, Adriana Cláudia Lapria; Ribeiro, Ricardo Faria; Rodrigues, Renata Cristina Silveira

2017-04-01

The aim of this study was to analyze failure modes and misfit of abutments with reduced diameter for both cement and screw retentions after cyclic loading. Forty morse-taper abutment/implant sets of titanium were divided into four groups (N = 10): G4.8S-4.8 abutment with screw-retained crown; G4.8C-4.8 abutment with cemented crown; G3.8S-3.8 abutment with screw-retained crown; and G3.8C-3.8 abutment with cemented crown. Copings were waxed on castable cylinders and cast by oxygen gas flame and injected by centrifugation. After, esthetic veneering ceramic was pressed on these copings for obtaining metalloceramic crowns of upper canine. Cemented crowns were cemented on abutments with provisional cement (Temp Bond NE), and screw-retained crowns were tightened to their abutments with torque recommended by manufacturer (10 N cm). The misfit was measured using a stereomicroscope in a 10× magnification before and after cyclic loading (300,000 cycles). Tests were visually monitored, and failures (decementation, screw loosening and fractures) were registered. Misfit was analyzed by mixed linear model while failure modes by chi-square test (α = 0.05). Cyclic loading affected misfit of 3.8C (P ≤ 0.0001), 3.8S (P = 0.0055) and 4.8C (P = 0.0318), but not of 4.8S (P = 0.1243). No differences were noted between 3.8S with 4.8S before (P = 0.1550) and after (P = 0.9861) cyclic loading, but 3.8C was different from 4.8C only after (P = 0.0015) loading. Comparing different types of retentions at the same diameter abutment, significant difference was noted before and after cyclic loading for 3.8 and 4.8 abutments. Analyzing failure modes, retrievable failures were present at 3.8S and 3.8C groups, while irretrievable were only present at 3.8S. The cyclic loading decreased misfit of cemented and screw-retained crowns on reduced diameter abutments, and misfit of cemented crowns is greater than screw-retained ones. Abutments of reduced diameter failed more than conventional. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Glide Dislocations Dissociation in Inversion Domain Boundaries of Plastically Deformed Aluminium Nitride

NASA Astrophysics Data System (ADS)

Feregotto, Virginia; Michel, Jean-Pierre

1996-09-01

A ten per cent plastic deformation of polycrystalline aluminium nitride, at a temperature ranging from 1500 to 1650 ^{circ}C creates a new kind of intragranular defect. Observed by transmission electron microscopy, the look like torsion subboundaries created by dislocations with 1/3<~ngle11bar{2}0rangle Burgers vectors and so nodes are dissociated into Shockley partials. They are located in the basal plane. In fact, these defects appear only in the plane areas of grown-in defects, the inversion domain boundaries. The formation of these faulted networks is interpreted as being the ultimate stage of the interactions between inversion domain boundaries and glide dislocations. Une déformation plastique de 10 % de nitrure d'aluminium polycristallin, entre 1500 et 1650 ^{circ}C introduit un nouveau type de défauts intragranulaires. Au microscope électronique par transmission, ils apparaissent comme des sous-joints de torsion créés par des dislocations de vecteurs de Burgers 1/3<~ngle11bar{2}0rangle dont les nœuds triples sont dissociés en partielles de Shockley ; ils sont situés dans le plan de base. En fait, ces défauts ne se produisent que sur les parties planes de défauts originels, les parois de domaines d'inversion. La formation de ces réseaux fautés est analysée comme l'ultime stade des interactions entre parois de domaines d'inversion et dislocations de glissement.

Structure and magnetic properties of Fe-Co-B alloy thin films prepared on cubic (001) single-crystal substrates

NASA Astrophysics Data System (ADS)

Ohtake, Mitsuru; Serizawa, Kana; Futamoto, Masaaki; Kirino, Fumiyoshi; Inaba, Nobuyuki

2018-04-01

Fe70Co30 and (Fe70Co30)0.95B5 (at. %) alloy films of 5 nm thickness are prepared by sputtering on cubic (001) oxide substrates at 200 °C. The lattice mismatch between film and substrate is varied from -4.2%, 0%, to +3.5% by employing MgO, MgAl2O4, and SrTiO3 substrates, respectively. Fe70Co30 and (Fe70Co30)0.95B5 single-crystal films with bcc structure grow epitaxially on all the substrates in the orientation relationship of (001)[110]film || (001)[100]substrate. The in-plane and out-of-plane lattice constants, a and c, are in agreement within small differences ranging between +1.1% and -0.9% with the value of bulk bcc-Fe70Co30 crystal, even though there exist the lattice mismatches of -4.2% and +3.5%. The result indicates that misfit dislocations are introduced around the film/substrate interface when films are deposited on MgO and SrTiO3 substrates. The single-crystal films show in-plane magnetic anisotropies with the easy magnetization direction of bcc[100], which are reflecting the magnetocrystalline anisotropy of bulk Fe70Co30 crystal.

In-plane InSb nanowires grown by selective area molecular beam epitaxy on semi-insulating substrate.

PubMed

Desplanque, L; Bucamp, A; Troadec, D; Patriarche, G; Wallart, X

2018-07-27

In-plane InSb nanostructures are grown on a semi-insulating GaAs substrate using an AlGaSb buffer layer covered with a patterned SiO 2 mask and selective area molecular beam epitaxy. The shape of these nanostructures is defined by the aperture in the silicon dioxide layer used as a selective mask thanks to the use of an atomic hydrogen flux during the growth. Transmission electron microscopy reveals that the mismatch accommodation between InSb and GaAs is obtained in two steps via the formation of an array of misfit dislocations both at the AlGaSb buffer layer/GaAs and at the InSb nanostructures/AlGaSb interfaces. Several micron long in-plane nanowires (NWs) can be achieved as well as more complex nanostructures such as branched NWs. The electrical properties of the material are investigated by the characterization of an InSb NW MOSFET down to 77 K. The resulting room temperature field effect mobility values are comparable with those reported on back-gated MOSFETs based on InSb NWs obtained by vapor liquid solid growth or electrodeposition. This growth method paves the way to the fabrication of complex InSb-based nanostructures.

High current density GaAs/Si rectifying heterojunction by defect free Epitaxial Lateral overgrowth on Tunnel Oxide from nano-seed.

PubMed

Renard, Charles; Molière, Timothée; Cherkashin, Nikolay; Alvarez, José; Vincent, Laetitia; Jaffré, Alexandre; Hallais, Géraldine; Connolly, James Patrick; Mencaraglia, Denis; Bouchier, Daniel

2016-05-04

Interest in the heteroepitaxy of GaAs on Si has never failed in the last years due to the potential for monolithic integration of GaAs-based devices with Si integrated circuits. But in spite of this effort, devices fabricated from them still use homo-epitaxy only. Here we present an epitaxial technique based on the epitaxial lateral overgrowth of micrometer scale GaAs crystals on a thin SiO2 layer from nanoscale Si seeds. This method permits the integration of high quality and defect-free crystalline GaAs on Si substrate and provides active GaAs/Si heterojunctions with efficient carrier transport through the thin SiO2 layer. The nucleation from small width openings avoids the emission of misfit dislocations and the formation of antiphase domains. With this method, we have experimentally demonstrated for the first time a monolithically integrated GaAs/Si diode with high current densities of 10 kA.cm(-2) for a forward bias of 3.7 V. This epitaxial technique paves the way to hybrid III-V/Si devices that are free from lattice-matching restrictions, and where silicon not only behaves as a substrate but also as an active medium.

India plate angular velocity and contemporary deformation rates from continuous GPS measurements from 1996 to 2015.

PubMed

Jade, Sridevi; Shrungeshwara, T S; Kumar, Kireet; Choudhury, Pallabee; Dumka, Rakesh K; Bhu, Harsh

2017-09-12

We estimate a new angular velocity for the India plate and contemporary deformation rates in the plate interior and along its seismically active margins from Global Positioning System (GPS) measurements from 1996 to 2015 at 70 continuous and 3 episodic stations. A new India-ITRF2008 angular velocity is estimated from 30 GPS sites, which include stations from western and eastern regions of the plate interior that were unrepresented or only sparsely sampled in previous studies. Our newly estimated India-ITRF2008 Euler pole is located significantly closer to the plate with ~3% higher angular velocity than all previous estimates and thus predicts more rapid variations in rates and directions along the plate boundaries. The 30 India plate GPS site velocities are well fit by the new angular velocity, with north and east RMS misfits of only 0.8 and 0.9 mm/yr, respectively. India fixed velocities suggest an approximate of 1-2 mm/yr intra-plate deformation that might be concentrated along regional dislocations, faults in Peninsular India, Kachchh and Indo-Gangetic plain. Relative to our newly-defined India plate frame of reference, the newly estimated velocities for 43 other GPS sites along the plate margins give insights into active deformation along India's seismically active northern and eastern boundaries.

Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Bingpo; Cai, Chunfeng; Jin, Shuqiang

2014-07-14

Step-scan Fourier-transform infrared photoreflectance and modulated photoluminescence spectroscopy were used to characterize the optical transitions of the epitaxial PbTe thin film grown by molecular beam epitaxy on BaF{sub 2} (111) substrate in the vicinity of energy gap of lead telluride at 77 K. It is found that the intrinsic defect energy levels in the electronic structure are of resonant nature. The Te-vacancy energy level is located above the conduction band minimum by 29.1 meV. Another defect (V{sub X}) energy level situated below valance band maximum by 18.1 meV is also revealed. Whether it is associated with the Pb vacancy is still not clear.more » It might also be related to the misfit dislocations stemming from the lattice mismatch between PbTe and BaF{sub 2} substrate. The experimental results support the theory prediction (N. J. Parada and G. W. Pratt, Jr., Phys. Rev. Lett. 22, 180 (1969), N. J. Parada, Phys. Rev. B 3, 2042 (1971)) and are consistent with the reported Hall experimental results (G. Bauer, H. Burkhard, H. Heinrich, and A. Lopez-Otero, J. Appl. Phys. 47, 1721 (1976)).« less

Integration of strained and relaxed silicon thin films on silicon wafers via engineered oxide heterostructures: Experiment and theory

NASA Astrophysics Data System (ADS)

Seifarth, O.; Dietrich, B.; Zaumseil, P.; Giussani, A.; Storck, P.; Schroeder, T.

2010-10-01

Strained and relaxed single crystalline Si on insulator systems is an important materials science approach for future Si-based nanoelectronics. Layer transfer techniques are the dominating global integration approach over the whole wafer system but are difficult to scale down for local integration purposes limited to the area of the future device. In this respect, the heteroepitaxy approach by two simple subsequent epitaxial deposition steps of the oxide and the Si thin film is a promising way. We introduce tailored (Pr2O3)1-x(Y2O3)x oxide heterostructures on Si(111) as flexible heteroepitaxy concept for the integration of either strained or fully relaxed single crystalline Si thin films. Two different buffer concepts are explored by a combined experimental and theoretical study. First, the growth of fully relaxed single crystalline Si films is achieved by the growth of mixed PrYO3 insulators on Si(111) whose lattice constant is matched to Si. Second, isomorphic oxide-on-oxide epitaxy is exploited to grow strained Si films on lattice mismatched Y2O3/Pr2O3/Si(111) support systems. A thickness dependent multilayer model, based on Matthew's approach for strain relaxation by misfit dislocations, is presented to describe the experimental data.

Imaging thunder

NASA Astrophysics Data System (ADS)

Johnson, J. B.; Arechiga, R. O.; Thomas, R. J.; Edens, H. E.; Anderson, J.; Johnson, R. L.

2011-12-01

We use a network of broadband microphones, including a 4-element array, to locate the sources of thunder occurring during an electrical storm in central New Mexico on July 24th, 2009. Combined slowness search and distance ranging are used to identify thunder regions in three dimensions (out to 12 km) and for two overlapping frequency bands (1-10 and 4-40 Hz). Distinct thunder pulses are locatable and used to predict time-of-arrival to neighboring stations and to identify correlated phases across the network. Spatial correlation is also found between the thunder source regions and regions of VHF radiation as located by the New Mexico Lightning Mapping Array (LMA). Some of the misfit between the LMA and thunder locations is attributable to differences in excitation mechanisms of the respective radiation, which is related to current impulses in lightning channels (for thunder) and incremental ionization of the atmosphere (for VHF emissions).

Imaging thunder

NASA Astrophysics Data System (ADS)

Johnson, J. B.; Arechiga, R. O.; Thomas, R. J.; Edens, H. E.; Anderson, J.; Johnson, R.

2011-10-01

We use a network of broadband microphones, including a 4-element array, to locate the sources of thunder occurring during an electrical storm in central New Mexico on July 24th, 2009. Combined slowness search and distance ranging are used to identify thunder regions in three dimensions (out to 12 km) and for two overlapping frequency bands (1-10 and 4-40 Hz). Distinct thunder pulses are locatable and used to predict time-of-arrival to neighboring stations and to identify correlated phases across the network. Spatial correlation is also found between the thunder source regions and regions of very high frequency (VHF) radiation as located by the New Mexico Lightning Mapping Array (LMA). Some of the misfit between the LMA and thunder locations is attributable to differences in excitation mechanisms of the respective radiation, which is related to current impulses in lightning channels (for thunder) and incremental ionization of the atmosphere (for VHF emissions).

Investigation of a Nonparametric Procedure for Assessing Goodness-of-Fit in Item Response Theory

ERIC Educational Resources Information Center

Wells, Craig S.; Bolt, Daniel M.

2008-01-01

Tests of model misfit are often performed to validate the use of a particular model in item response theory. Douglas and Cohen (2001) introduced a general nonparametric approach for detecting misfit under the two-parameter logistic model. However, the statistical properties of their approach, and empirical comparisons to other methods, have not…

How Often Is the Misfit of Item Response Theory Models Practically Significant?

ERIC Educational Resources Information Center

Sinharay, Sandip; Haberman, Shelby J.

2014-01-01

Standard 3.9 of the Standards for Educational and Psychological Testing ([, 1999]) demands evidence of model fit when item response theory (IRT) models are employed to data from tests. Hambleton and Han ([Hambleton, R. K., 2005]) and Sinharay ([Sinharay, S., 2005]) recommended the assessment of practical significance of misfit of IRT models, but…

A network of superconducting gravimeters detects submicrogal coseismic gravity changes.

PubMed

Imanishi, Yuichi; Sato, Tadahiro; Higashi, Toshihiro; Sun, Wenke; Okubo, Shuhei

2004-10-15

With high-resolution continuous gravity recordings from a regional network of superconducting gravimeters, we have detected permanent changes in gravity acceleration associated with a recent large earthquake. Detected changes in gravity acceleration are smaller than 10(-8) meters seconds(-2) (1 micro-Galileo, about 10(-9) times the surface gravity acceleration) and agree with theoretical values calculated from a dislocation model. Superconducting gravimetry can contribute to the studies of secular gravity changes associated with tectonic processes.

Students' Industrial Work Experience Scheme (SIWES) and the Incidence of Occupational Misfit in Nigeria

ERIC Educational Resources Information Center

Oyeniyi, Aderonke Agnes

2012-01-01

The incidence of occupational misfit among Nigerian graduates have taken a centre stage in the debate on the relevance and quality of higher education to national development. It is on this basis that studies tend to assess the trends in work-base study programmes with reference to skill acquisition and utilization. This study therefore examined…

Computational Linguistics in the Netherlands 1996. Papers from the CLIN Meeting (7th, Eindhoven, Netherlands, November 15, 1996).

ERIC Educational Resources Information Center

Landsbergen, Jan, Ed.; Odijk, Jan, Ed.; van Deemter, Kees, Ed.; van Zanten, Gert Veldhuijzen, Ed.

Papers from the meeting on computational linguistics include: "Conversational Games, Belief Revision and Bayesian Networks" (Stephen G. Pulman); "Valence Alternation without Lexical Rules" (Gosse Bouma); "Filtering Left Dislocation Chains in Parsing Categorical Grammar" (Crit Cremers, Maarten Hijzelendoorn);…

Assessment of Simulated Ground Motions in Earthquake Engineering Practice: A Case Study for Duzce (Turkey)

NASA Astrophysics Data System (ADS)

Karimzadeh, Shaghayegh; Askan, Aysegul; Yakut, Ahmet

2017-09-01

Simulated ground motions can be used in structural and earthquake engineering practice as an alternative to or to augment the real ground motion data sets. Common engineering applications of simulated motions are linear and nonlinear time history analyses of building structures, where full acceleration records are necessary. Before using simulated ground motions in such applications, it is important to assess those in terms of their frequency and amplitude content as well as their match with the corresponding real records. In this study, a framework is outlined for assessment of simulated ground motions in terms of their use in structural engineering. Misfit criteria are determined for both ground motion parameters and structural response by comparing the simulated values against the corresponding real values. For this purpose, as a case study, the 12 November 1999 Duzce earthquake is simulated using stochastic finite-fault methodology. Simulated records are employed for time history analyses of frame models of typical residential buildings. Next, the relationships between ground motion misfits and structural response misfits are studied. Results show that the seismological misfits around the fundamental period of selected buildings determine the accuracy of the simulated responses in terms of their agreement with the observed responses.

Misfit strain phase diagrams of epitaxial PMN–PT films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khakpash, N.; Khassaf, H.; Rossetti, G. A.

Misfit strain–temperature phase diagrams of three compositions of (001) pseudocubic (1 − x)·Pb (Mg{sub l/3}Nb{sub 2/3})O{sub 3} − x·PbTiO{sub 3} (PMN–PT) thin films are computed using a phenomenological model. Two (x = 0.30, 0.42) are located near the morphotropic phase boundary (MPB) of bulk PMN–PT at room temperature (RT) and one (x = 0.70) is located far from the MPB. The results show that it is possible to stabilize an adaptive monoclinic phase over a wide range of misfit strains. At RT, the stability region of this phase is much larger for PMN–PT compared to barium strontium titanate and lead zirconate titanate films.

Interlayer coupling and electronic structure of misfit-layered bismuth-based cobaltites

NASA Astrophysics Data System (ADS)

Takakura, Sho-ichi; Yamamoto, Isamu; Tanaka, Eishi; Azuma, Junpei; Maki, Makoto

2017-05-01

The [Bi2M2O4] pCoO2 materials (M =Ca , Sr, and Ba) were studied to clarify the effect of the lattice incommensurability on electronic properties using angle-resolved photoemission spectroscopy and transmission electron microscopy (TEM). Results show that the insulating behavior is characterized by a spectral weight for binding energies higher than 2.0 eV. Moreover, the spectral shape is modified as a function of the incident photon energy, demonstrating a close relationship between the electrical properties and interlayer coupling. TEM results show that the effect of the lattice mismatch differs for different misfit parameters p . We therefore conclude that the carrier concentration and the chemical environment at the misfit interface, which depend on the degree of incommensurability, mutually determine the electronic properties of the system.

BRNBOX v.1.0

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aldridge, David F.

Program BRNBOX conducts a systematic search through a pre-defined 3D volume of candidate sub-surface Born scattering points in order to identify the particular point that minimizes the misfit between predicted (i.e., calculated) and observed electromagnetic (EM) data. This global minimum misfit point is interpreted as the location where electrically conductive proppant is injected into a sub-surface petroleum reservoir in a hydraulic fracturing experiment.

An Empirical Investigation of the Potential Impact of Item Misfit on Test Scores. Research Report. ETS RR-17-60

ERIC Educational Resources Information Center

Kim, Sooyeon; Robin, Frederic

2017-01-01

In this study, we examined the potential impact of item misfit on the reported scores of an admission test from the subpopulation invariance perspective. The target population of the test consisted of 3 major subgroups with different geographic regions. We used the logistic regression function to estimate item parameters of the operational items…

Misfit and fracture load of implant-supported monolithic crowns in zirconia-reinforced lithium silicate.

PubMed

Gomes, Rafael Soares; Souza, Caroline Mathias Carvalho de; Bergamo, Edmara Tatiely Pedroso; Bordin, Dimorvan; Del Bel Cury, Altair Antoninha

2017-01-01

In this study, marginal and internal misfit and fracture load with and without thermal-mechanical aging (TMA) of monolithic ZLS and lithium disilicate (LDS) crowns were evaluated. Crowns were milled using a computer-aided design/computer-aided manufacturing system. Marginal gaps (MGs), absolute marginal discrepancy (AMD), axial gaps, and occlusal gaps were measured by X-ray microtomography (n=8). For fracture load testing, crowns were cemented in a universal abutment, and divided into four groups: ZLS without TMA, ZLS with TMA, LDS without TMA, and LDS with TMA (n=10). TMA groups were subjected to 10,000 thermal cycles (5-55°C) and 1,000,000 mechanical cycles (200 N, 3.8 Hz). All groups were subjected to compressive strength testing in a universal testing machine at a crosshead speed of 1 mm/min until failure. Student's t-test was used to examine misfit, two-way analysis of variance was used to analyze fracture load, and Pearson's correlation coefficients for misfit and fracture load were calculated (α=0.05). The materials were analyzed according to Weibull distribution, with 95% confidence intervals. Average MG (p<0.001) and AMD (p=0.003) values were greater in ZLS than in LDS crowns. TMA did not affect the fracture load of either material. However, fracture loads of ZLS crowns were lower than those of LDS crowns (p<0.001). Fracture load was moderately correlated with MG (r=-0.553) and AMD (r=-0.497). ZLS with TMA was least reliable, according to Weibull probability. Within the limitations of this study, ZLS crowns had lower fracture load values and greater marginal misfit than did LDS crowns, although these values were within acceptable limits.

Fit Analysis of Different Framework Fabrication Techniques for Implant-Supported Partial Prostheses.

PubMed

Spazzin, Aloísio Oro; Bacchi, Atais; Trevisani, Alexandre; Farina, Ana Paula; Dos Santos, Mateus Bertolini

2016-01-01

This study evaluated the vertical misfit of implant-supported frameworks made using different techniques to obtain passive fit. Thirty three-unit fixed partial dentures were fabricated in cobalt-chromium alloy (n = 10) using three fabrication methods: one-piece casting, framework cemented on prepared abutments, and laser welding. The vertical misfit between the frameworks and the abutments was evaluated with an optical microscope using the single-screw test. Data were analyzed using one-way analysis of variance and Tukey test (α = .05). The one-piece casted frameworks presented significantly higher vertical misfit values than those found for framework cemented on prepared abutments and laser welding techniques (P < .001 and P < .003, respectively). Laser welding and framework cemented on prepared abutments are effective techniques to improve the adaptation of three-unit implant-supported prostheses. These techniques presented similar fit.

Misfit-guided self-organization of anticorrelated Ge quantum dot arrays on Si nanowires.

PubMed

Kwon, Soonshin; Chen, Zack C Y; Kim, Ji-Hun; Xiang, Jie

2012-09-12

Misfit-strain guided growth of periodic quantum dot (QD) arrays in planar thin film epitaxy has been a popular nanostructure fabrication method. Engineering misfit-guided QD growth on a nanoscale substrate such as the small curvature surface of a nanowire represents a new approach to self-organized nanostructure preparation. Perhaps more profoundly, the periodic stress underlying each QD and the resulting modulation of electro-optical properties inside the nanowire backbone promise to provide a new platform for novel mechano-electronic, thermoelectronic, and optoelectronic devices. Herein, we report a first experimental demonstration of self-organized and self-limited growth of coherent, periodic Ge QDs on a one-dimensional Si nanowire substrate. Systematic characterizations reveal several distinctively different modes of Ge QD ordering on the Si nanowire substrate depending on the core diameter. In particular, Ge QD arrays on Si nanowires of around 20 nm diameter predominantly exhibit an anticorrelated pattern whose wavelength agrees with theoretical predictions. The correlated pattern can be attributed to propagation and correlation of misfit strain across the diameter of the thin nanowire substrate. The QD array growth is self-limited as the wavelength of the QDs remains unchanged even after prolonged Ge deposition. Furthermore, we demonstrate a direct kinetic transformation from a uniform Ge shell layer to discrete QD arrays by a postgrowth annealing process.

Void initiation from interfacial debonding of spherical silicon particles inside a silicon-copper nanocomposite: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Cui, Yi; Chen, Zengtao

2017-02-01

Silicon particles with diameters from 1.9 nm to 30 nm are embedded in a face-centered-cubic copper matrix to form nanocomposite specimens for simulation. The interfacial debonding of silicon particles from the copper matrix and the subsequent growth of nucleated voids are studied via molecular dynamics (MD). The MD results are examined from several different perspectives. The overall mechanical performance is monitored by the average stress-strain response and the accumulated porosity. The ‘relatively farthest-traveled’ atoms are identified to characterize the onset of interfacial debonding. The relative displacement field is plotted to illustrate both subsequent interfacial debonding and the growth of a nucleated void facilitated by a dislocation network. Our results indicate that the initiation of interfacial debonding is due to the accumulated surface stress if the matrix is initially dislocation-free. However, pre-existing dislocations can make a considerable difference. In either case, the dislocation emission also contributes to the subsequent debonding process. As for the size effect, the debonding of relatively larger particles causes a drop in the stress-strain curve. The volume fraction of second-phase particles is found to be more influential than the size of the simulation box on the onset of interfacial debonding. The volume fraction of second-phase particles also affects the shape of the nucleated void and, therefore, influences the stress response of the composite.

Geodetic evidence for en echelon dike emplacement and concurrent slow slip during the June 2007 intrusion and eruption at Kīlauea volcano, Hawaii

USGS Publications Warehouse

Montgomery-Brown, E. K.; Sinnett, D.K.; Poland, M.; Segall, P.; Orr, T.; Zebker, H.; Miklius, Asta

2010-01-01

A series of complex events at Kīlauea Volcano, Hawaii, 17 June to 19 June 2007, began with an intrusion in the upper east rift zone (ERZ) and culminated with a small eruption (1500 m3). Surface deformation due to the intrusion was recorded in unprecedented detail by Global Positioning System (GPS) and tilt networks as well as interferometric synthetic aperture radar (InSAR) data acquired by the ENVISAT and ALOS satellites. A joint nonlinear inversion of GPS, tilt, and InSAR data yields a deflationary source beneath the summit caldera and an ENE-striking uniform-opening dislocation with ~2 m opening, a dip of ∼80° to the south, and extending from the surface to ~2 km depth. This simple model reasonably fits the overall pattern of deformation but significantly misfits data near the western end of an inferred dike-like source. Three more complex dike models are tested that allow for distributed opening including (1) a dike that follows the surface trace of the active rift zone, (2) a dike that follows the symmetry axis of InSAR deformation, and (3) two en echelon dike segments beneath mapped surface cracks and newly formed steaming areas. The en echelon dike model best fits near-field GPS and tilt data. Maximum opening of 2.4 m occurred on the eastern segment beneath the eruptive vent. Although this model represents the best fit to the ERZ data, it still fails to explain data from a coastal tiltmeter and GPS sites on Kīlauea's southwestern flank. The southwest flank GPS sites and the coastal tiltmeter exhibit deformation consistent with observations of previous slow slip events beneath Kīlauea's south flank, but inconsistent with observations of previous intrusions. Slow slip events at Kīlauea and elsewhere are thought to occur in a transition zone between locked and stably sliding zones of a fault. An inversion including slip on a basal decollement improves fit to these data and suggests a maximum of ~15 cm of seaward fault motion, comparable to previous slow-slip events.

Towards Seismic Tomography Based Upon Adjoint Methods

NASA Astrophysics Data System (ADS)

Tromp, J.; Liu, Q.; Tape, C.; Maggi, A.

2006-12-01

We outline the theory behind tomographic inversions based on 3D reference models, fully numerical 3D wave propagation, and adjoint methods. Our approach involves computing the Fréchet derivatives for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a spectral-element method (SEM) and a heterogeneous wave-speed model, and stored as synthetic seismograms at particular receivers for which there is data. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the differences between the data and the synthetics are time reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernel. These kernels may be thought of as weighted sums of measurement-specific banana-donut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, i.e., the Fréchet derivatives. A conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. Using 2D examples for Rayleigh wave phase-speed maps of southern California, we illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions, and joint source-structure inversions. We also illustrate the characteristics of these 3D finite-frequency kernels based upon adjoint simulations for a variety of global arrivals, e.g., Pdiff, P'P', and SKS, and we illustrate how the approach may be used to investigate body- and surface-wave anisotropy. In adjoint tomography any time segment in which the data and synthetics match reasonably well is suitable for measurement, and this implies a much greater number of phases per seismogram can be used compared to classical tomography in which the sensitivity of the measurements is determined analytically for specific arrivals, e.g., P. We use an automated picking algorithm based upon short-term/long-term averages and strict phase and amplitude anomaly criteria to determine arrivals and time windows suitable for measurement. For shallow global events the algorithm typically identifies of the order of 1000~windows suitable for measurement, whereas for a deep event the number can reach 4000. For southern California earthquakes the number of phases is of the order of 100 for a magnitude 4.0 event and up to 450 for a magnitude 5.0 event. We will show examples of event kernels for both global and regional earthquakes. These event kernels form the basis of adjoint tomography.

Inversion of quasi-3D DC resistivity imaging data using artificial neural networks

NASA Astrophysics Data System (ADS)

Neyamadpour, Ahmad; Wan Abdullah, W. A. T.; Taib, Samsudin

2010-02-01

The objective of this paper is to investigate the applicability of artificial neural networks in inverting quasi-3D DC resistivity imaging data. An electrical resistivity imaging survey was carried out along seven parallel lines using a dipole-dipole array to confirm the validation of the results of an inversion using an artificial neural network technique. The model used to produce synthetic data to train the artificial neural network was a homogeneous medium of 100Ωm resistivity with an embedded anomalous body of 1000Ωm resistivity. The network was trained using 21 datasets (comprising 12159 data points) and tested on another 11 synthetic datasets (comprising 6369 data points) and on real field data. Another 24 test datasets (comprising 13896 data points) consisting of different resistivities for the background and the anomalous bodies were used in order to test the interpolation and extrapolation of network properties. Different learning paradigms were tried in the training process of the neural network, with the resilient propagation paradigm being the most efficient. The number of nodes, hidden layers, and efficient values for learning rate and momentum coefficient have been studied. Although a significant correlation between results of the neural network and the conventional robust inversion technique was found, the ANN results show more details of the subsurface structure, and the RMS misfits for the results of the neural network are less than seen with conventional methods. The interpreted results show that the trained network was able to invert quasi-3D electrical resistivity imaging data obtained by dipole-dipole configuration both rapidly and accurately.

Role of dislocations and carrier concentration in limiting the electron mobility of InN films grown by plasma assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Tangi, Malleswararao; De, Arpan; Shivaprasad, S. M.

2018-01-01

We report the molecular beam epitaxy growth of device quality InN films on GaN epilayer and nano-wall network (NWN) templates deposited on c-sapphire by varying the film thickness up to 1 μm. The careful experiments are directed towards obtaining high mobility InN layers having a low band gap with improved crystal quality. The dislocation density is quantified by using high resolution X-ray diffraction rocking curve broadening values of symmetric and asymmetric reflections, respectively. We observe that the dislocation density of the InN films grown on GaN NWN is less than that of the films grown on the GaN epilayer. This is attributed to the nanoepitaxial lateral overlayer growth (ELOG) process, where the presence of voids at the interface of InN/GaN NWN prevents the propagation of dislocation lines into the InN epilayers, thereby causing less defects in the overgrown InN films. Thus, this new adaptation of the nano-ELOG growth process enables us to prepare InN layers with high electron mobility. The obtained electron mobility of 2121 cm2/Vs for 1 μm thick InN/GaN NWN is comparable with the literature values of similar thickness InN films. Furthermore, in order to understand the reasons that limit electron mobility, the charge neutrality condition is employed to study the variation of electron mobility as a function of dislocation density and carrier concentration. Overall, this study provides a route to attaining improved crystal quality and electronic properties of InN films.

Elastic and dielectric anisotropy in barium strontium titanate thin films on orthorhombic neodymium gallate substrates

NASA Astrophysics Data System (ADS)

Simon, William Kurt

Functional oxide thin films often focus on standard cubic substrates that impose an equal biaxial plane stress condition (sigma11 = sigma22) to the film. These internal stresses in thin films reach magnitudes not easily achieved in bulk materials and represent an important influence on the properties of thin films. Equal biaxial plane stress is a small sub-set of stress conditions. Anisotropic stress (sigma11 ≠ sigma 22) represents a wide range of influences that can be utilized to manipulate the properties of thin films. To investigate these conditions, heteroepitaxial thin films of paraelectric Ba0.6Sr0.4TiO3 (BST) were deposited on [100] and [110] oriented single crystal NdGaO 3 (NGO) substrates. Films were grown in the thickness range of 25 to 1200 nm by Pulsed Laser Deposition. The films grown on [100]NGO substrates were [110] oriented, while [110]NGO substrates resulted in [100] oriented BST films. The [100]BST films exhibit a small variation of the epitaxial misfit with direction: -2.6% and -2.8% along the [010]BST and [001 ]BST directions respectively. The epitaxial misfit for the [110]BST films show a greater variation with direction; -1.9% and -2.8% along the [1¯10]BST, and [001]BST directions respectively. The interfacial dislocations that form to relieve stress are found to be dependant on the growth orientation of the film and to contribute to the degree of elastic and dielectric anisotropy. The variation of the residual strains, with thickness and direction are correlated to the non-linear dielectric permittivity at 10 GHz. The relative permittivity is seen to vary from 150 to 500 with in-plane direction of a single [110]BST film. Tunabilities in the same film vary from 30 to 54%, with the greater tunability occurring along the directions with greater permittivity. Analysis of the non-linear polarization curves illustrate that the higher order permittivity terms, which are responsible for tunability, are all adversely affected by strain and reach an elastically saturated limit regardless of growth orientation or in-plane direction. Through the use of unequal epitaxial strains, anisotropy is imparted to the otherwise spherically symmetric permittivity tensor. This asymmetry allows a single film to have a variable response and fill a variety of performance requirements in microwave passive devices.

Preparation of c-axis perpendicularly oriented ultra-thin L10-FePt films on MgO and VN underlayers

NASA Astrophysics Data System (ADS)

Futamoto, Masaaki; Shimizu, Tomoki; Ohtake, Mitsuru

2018-05-01

Ultra-thin L10-FePt films of 2 nm average thickness are prepared on (001) oriented MgO and VN underlayers epitaxially grown on base substrate of SrTiO3(001) single crystal. Detailed cross-sectional structures are observed by high-resolution transmission electron microscopy. Continuous L10-FePt(001) thin films with very flat surface are prepared on VN(001) underlayer whereas the films prepared on MgO(001) underlayer consist of isolated L10-FePt(001) crystal islands. Presence of misfit dislocation and lattice bending in L10-FePt material is reducing the effective lattice mismatch with respect to the underlayer to be less than 0.5 %. Formation of very flat and continuous FePt layer on VN underlayer is due to the large surface energy of VN material where de-wetting of FePt material at high temperature annealing process is suppressed under a force balance between the surface and interface energies of FePt and VN materials. An employment of underlayer or substrate material with the lattice constant and the surface energy larger than those of L10-FePt is important for the preparation of very thin FePt epitaxial thin continuous film with the c-axis controlled to be perpendicular to the substrate surface.

Strain relaxation of thin Si{sub 0.6}Ge{sub 0.4} grown with low-temperature buffers by molecular beam epitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, M.; Hansson, G. V.; Ni, W.-X.

A double-low-temperature-buffer variable-temperature growth scheme was studied for fabrication of strain-relaxed thin Si{sub 0.6}Ge{sub 0.4} layer on Si(001) by using molecular beam epitaxy (MBE), with particular focuses on the influence of growth temperature of individual low-temperature-buffer layers on the relaxation process and final structural qualities. The low-temperature buffers consisted of a 40 nm Si layer grown at an optimized temperature of {approx}400 deg. C, followed by a 20 nm Si{sub 0.6}Ge{sub 0.4} layer grown at temperatures ranging from 50 to 550 deg. C. A significant relaxation increase together with a surface roughness decrease both by a factor of {approx}2, accompaniedmore » with the cross-hatch/cross-hatch-free surface morphology transition, took place for the sample containing a low-temperature Si{sub 0.6}Ge{sub 0.4} layer that was grown at {approx}200 deg. C. This dramatic change was explained by the association with a certain onset stage of the ordered/disordered growth transition during the low-temperature MBE, where the high density of misfit dislocation segments generated near surface cusps largely facilitated the strain relaxation of the top Si{sub 0.6}Ge{sub 0.4} layer.« less

Anisotropic elastic scattering of stripe/line-shaped scatters to two-dimensional electron gas: Model and illustrations in a nonpolar AlGaN/GaN hetero-junction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jinfeng, E-mail: jfzhang@xidian.edu.cn; Li, Yao; Yan, Ran

In a semiconductor hetero-junction, the stripe/line-shaped scatters located at the hetero-interface lead to the anisotropic transport of two-dimensional electron gas (2DEG). The elastic scattering of infinitely long and uniform stripe/line-shaped scatters to 2DEG is theoretically investigated based on a general theory of anisotropic 2DEG transport [J. Schliemann and D. Loss, Phys. Rev. B 68(16), 165311 (2003)], and the resulting 2DEG mobility along the applied electrical field is modeled to be a function of the angle between the field and the scatters. The anisotropy of the scattering and the mobility originate in essence from that the stripe/line-shaped scatters act upon themore » injecting two-dimensional wave vector by changing only its component perpendicular to the scatters. Three related scattering mechanisms in a nonpolar AlGaN/GaN hetero-junction are discussed as illustrations, including the striated morphology caused interface roughness scattering, and the polarization induced line charge dipole scattering and the misfit dislocation scattering at the AlGaN/GaN interface. Different anisotropic behaviors of the mobility limited by these scattering mechanisms are demonstrated, but analysis shows that all of them are determined by the combined effects of the anisotropic bare scattering potential and the anisotropic dielectric response of the 2DEG.« less

Seismic Wavefield Imaging of Long-Period Ground Motion in the Tokyo Metropolitan Area, Japan

NASA Astrophysics Data System (ADS)

Nagao, H.; Kano, M.; Nagata, K.; Ito, S. I.; Sakai, S.; Nakagawa, S.; Hori, M.; Hirata, N.

2017-12-01

Long-period ground motions due to large earthquakes can cause devastating disasters, especially in urbanized areas located on sedimentary basins. To assess and mitigate such damage, it is essential to rapidly evaluate seismic hazards for infrastructures, which can be simulated by seismic response analyses that use waveforms at the base of each infrastructure as an input ground motion. The present study reconstructs the seismic wavefield in the Tokyo metropolitan area located on the Kanto sedimentary basin, Japan, from seismograms of the Metropolitan Seismic Observation network (MeSO-net). The obtained wavefield fully explains the observed waveforms in the frequency band of 0.10-0.20 Hz. This is attributed to the seismic wavefield imaging technique proposed by Kano et al. (2017), which implements the replica exchange Monte Carlo method to simultaneously estimate model parameters related to the subsurface structure and source information. Further investigation shows that the reconstructed seismic wavefield lower than 0.30 Hz is of high quality in terms of variance reduction (VR), which quantifies a misfit in waveforms but that the VR rapidly worsens in higher frequencies. Meanwhile, the velocity response spectra show good agreement with observations up to 0.90 Hz in terms of the combined goodness of fit (CGOF), which is a measure of misfit in the velocity response spectra. Inputting the reconstructed wavefield into seismic response analyses, we can rapidly assess the overall damage to infrastructures immediately after a large earthquake.

Effect of technique and impression material on the vertical misfit of a screw-retained, three-unit implant bridge: An in vitro study

PubMed Central

Haghi, Hamidreza Rajati; Shiehzadeh, Masoud; Nakhaei, Mohammadreza; Ahrary, Fatemeh; Sabzevari, Saeid

2017-01-01

Introduction: A dental impression is a negative imprint of an oral structure that can be used to produce a positive cast of a patient's teeth as a permanent record. The accuracy of the impression affects the accuracy of the cast, and a precise impression is needed in order to create prosthesis with optimal fitting. Minimization of misfit is an important aim in prosthesis science and dental implants. The aim of this study was to evaluate the effects of the materials and techniques used to take an impression on the vertical misfit of implant-supported, screw-retained, three-unit bridges. Materials and Methods: The principal model used was an acrylic block with two ITI implants. A 1.5-mm abutment was attached to fixtures with torque of 25 N.cm. A base-metal framework was built on the abutment in the acrylic block. The abutments of the acrylic model were unscrewed and fixture-level impressions were made. The impression techniques included open/closed-tray techniques and the impression materials were polyether and polyvinyl siloxane. Forty acrylic custom trays were built for each impression. The marginal gap in the framework at three points (buccal, lingual, and distal) was measured using an optical microscope with ×250. Results: It is demonstrated that in all 360 evaluated samples, the mean vertical misfit in polyether samples of molar and premolar teeth was significantly lower than in polyvinyl siloxane (P < 0.001 and P = 0.017, respectively) in all three locations of the molar and lingual premolar examined (buccal, lingual, and distal), the mean vertical misfit of the polyether samples was significantly lower than those of polyvinyl siloxane (P < 0.01). On the other hand, although the mean vertical misfit using the open-tray technique in the molar teeth was significantly lower than with the closed-tray method (P = 0.002), no statistical difference was seen between the open-tray and closed-tray technique in general (P = 0.87). Conclusion: Within the limitations of this study, the following conclusions can be drawn: The impression method had no effect on marginal discrepancy of 3-unit screw retained fixed partial dentures. A higher marginal accuracy was obtained using polyether impression material compared to polyvinyl siloxane. PMID:28216844

Misfit-guided self-organization of anti-correlated Ge quantum dot arrays on Si nanowires

PubMed Central

Kwon, Soonshin; Chen, Zack C.Y.; Kim, Ji-Hun; Xiang, Jie

2012-01-01

Misfit-strain guided growth of periodic quantum dot (QD) arrays in planar thin film epitaxy has been a popular nanostructure fabrication method. Engineering misfit-guided QD growth on a nanoscale substrate such as the small curvature surface of a nanowire represents a new approach to self-organized nanostructure preparation. Perhaps more profoundly, the periodic stress underlying each QD and the resulting modulation of electro-optical properties inside the nanowire backbone promise to provide a new platform for novel mechano-electronic, thermoelectronic, and optoelectronic devices. Herein, we report a first experimental demonstration of self-organized and self-limited growth of coherent, periodic Ge QDs on a one dimensional Si nanowire substrate. Systematic characterizations reveal several distinctively different modes of Ge QD ordering on the Si nanowire substrate depending on the core diameter. In particular, Ge QD arrays on Si nanowires of around 20 nm diameter predominantly exhibit an anti-correlated pattern whose wavelength agrees with theoretical predictions. The correlated pattern can be attributed to propagation and correlation of misfit strain across the diameter of the thin nanowire substrate. The QD array growth is self-limited as the wavelength of the QDs remains unchanged even after prolonged Ge deposition. Furthermore, we demonstrate a direct kinetic transformation from a uniform Ge shell layer to discrete QD arrays by a post-growth annealing process. PMID:22889063

Thermoelectric misfit-layered cobalt oxides with interlayers of hydroxide and peroxide species

NASA Astrophysics Data System (ADS)

Chou, Ta-Lei; Lybeck, Jenni; Chan, Ting-Shan; Hsu, Ying-Ya; Tewari, Girish C.; Rautama, Eeva-Leena; Yamauchi, Hisao; Karppinen, Maarit

2013-12-01

Among the thermoelectric misfit-layered cobalt oxides, [MmA2Om+2]qCoO2, the parent m=0 phases exhibit divergent chemical features but are less understood than the more common m>0 members of the series. Here we synthesize Sr-for-Ca substituted [(Ca1-xSrx)z(O,OH)2]qCoO2 zero phases up to x=0.2 through low-temperature hydrothermal conversion of precursor powders of the m=1 misfit system, [Co(Ca1-xSrx)2O3]qCoO2. In the zero-phase [(Ca1-xSrx)z(O,OH)2]qCoO2 system, as the Sr content x increases the lattice expands anisotropically along the c axis such that the ab-plane dimension and the misfit parameter q remain essentially constant. X-ray absorption spectroscopy data suggest the presence of peroxide-type oxygen species in the (Ca1-xSrx)z(O,OH)2 rock-salt block and together with infrared spectroscopy, thermogravimetric and low-temperature resistivity and thermopower measurements evidence that the isovalent Sr-for-Ca substitution controls the balance between the peroxide and hydroxide species in the (Ca1-xSrx)z(O,OH)2 block but leaves the valence of Co essentially intact in the CoO2 block. The higher electrical conductivity of the Sr-substituted phases is explained as a consequence of increased carrier mobility.

Helium self-trapping and diffusion behaviors in deformed 316L stainless steel exposed to high flux and low energy helium plasma

NASA Astrophysics Data System (ADS)

Gong, Yihao; Jin, Shuoxue; Zhu, Te; Cheng, Long; Cao, Xingzhong; You, Li; Lu, Guanghong; Guo, Liping; Wang, Baoyi

2018-04-01

A large number of dislocation networks were introduced in to 316L stainless steel by cold rolling. Subsequently, low energy (40 eV) helium ions were implanted by exposing the steel to helium plasma. Thermal desorption and positron annihilation spectroscopy were used to study the behavior of helium in the presence of dislocations, with emphasis on helium self-trapping and migration behaviors. Helium desorption behaviour from different helium trapping states was measured by the thermal desorption spectroscopy. Most of the helium desorbed from the He m V n clusters, and the corresponding desorption peak is located at ~650 K. The desorption peak from helium-dislocation clusters (He m D) is at approximately 805 K. The effect of annealing on the defect evolution was investigated by positron annihilation spectroscopy. For the specimen exposed to helium plasma without displacement damage, the increment of S parameter meant the existence of helium self-trapping behavior (He m V n ). Helium atoms could diffuse two to three orders of magnitude deeper than the implantation depth calculated by SRIM. The diffusing helium atoms were gradually trapped by dislocation lines and formed He m D. Elevated temperatures enhance the self-trapping behavior and cause helium atoms to dissociate/desorb from the He m V n clusters, increasing the S parameters at 473-673 K. The gradual recovery of vacancies in the He m V n clusters decreased the S parameter above 673 K.

Misfit and fracture load of implant-supported monolithic crowns in zirconia-reinforced lithium silicate

PubMed Central

GOMES, Rafael Soares; de SOUZA, Caroline Mathias Carvalho; BERGAMO, Edmara Tatiely Pedroso; BORDIN, Dimorvan; DEL BEL CURY, Altair Antoninha

2017-01-01

Abstract Zirconia-reinforced lithium silicate (ZLS) is a ceramic that promises to have better mechanical properties than other materials with the same indications as well as improved adaptation and fracture strength. Objective In this study, marginal and internal misfit and fracture load with and without thermal-mechanical aging (TMA) of monolithic ZLS and lithium disilicate (LDS) crowns were evaluated. Material and methods Crowns were milled using a computer-aided design/computer-aided manufacturing system. Marginal gaps (MGs), absolute marginal discrepancy (AMD), axial gaps, and occlusal gaps were measured by X-ray microtomography (n=8). For fracture load testing, crowns were cemented in a universal abutment, and divided into four groups: ZLS without TMA, ZLS with TMA, LDS without TMA, and LDS with TMA (n=10). TMA groups were subjected to 10,000 thermal cycles (5-55°C) and 1,000,000 mechanical cycles (200 N, 3.8 Hz). All groups were subjected to compressive strength testing in a universal testing machine at a crosshead speed of 1 mm/min until failure. Student’s t-test was used to examine misfit, two-way analysis of variance was used to analyze fracture load, and Pearson’s correlation coefficients for misfit and fracture load were calculated (α=0.05). The materials were analyzed according to Weibull distribution, with 95% confidence intervals. Results Average MG (p<0.001) and AMD (p=0.003) values were greater in ZLS than in LDS crowns. TMA did not affect the fracture load of either material. However, fracture loads of ZLS crowns were lower than those of LDS crowns (p<0.001). Fracture load was moderately correlated with MG (r=-0.553) and AMD (r=-0.497). ZLS with TMA was least reliable, according to Weibull probability. Conclusion Within the limitations of this study, ZLS crowns had lower fracture load values and greater marginal misfit than did LDS crowns, although these values were within acceptable limits. PMID:28678947

Can low-fusing glass application affect the marginal misfit and bond strength of Y-TZP crowns?

PubMed

Antunes, Monize Carelli Felipe; Miranda, Jean Soares; Carvalho, Ronaldo Luís Almeida de; Carvalho, Rodrigo Furtado de; Kimpara, Estevão Tomomitsu; Assunção E Souza, Rodrigo Othávio de; Leite, Fabíola Pessôa Pereira

2018-01-01

To evaluate the effect of different surface treatments on the marginal misfit and retentive strength between Y-TZP crowns and an epoxy resin. Forty (40) epoxy resin (G10) abutments (height: 5mm, conicity: 60, finish line: large chamfer) with equal dimensions were milled and included in polyurethane to simulate the periodontal ligament. Next, 40 Y-TZP crowns (thickness: 1mm) were milled (Cerec in Lab) and randomly divided into four groups (n=10) according to the surface treatment: GS(glaze spray), GP(glaze powder/liquid), P(zirconia primer) and RS(tribochemical silica coating). The conditioned surfaces were cemented with dual self-adhesive cement, light cured and submitted to thermomechanical cycling (2x106, 100N, 4Hz, 5°/55°C). Marginal misfit was analyzed by a stereomicroscope and SEM. Retentive strength test was performed (1mm/min) until crown debonding. Glaze layer thickness was also performed to GS and GP groups. Marginal misfit data were analyzed by Kruskal Wallis and Dunn tests; one-way ANOVA and Tukey (5%) analyzed the tensile strength data. The marginal misfit of the GS (48.6±19.9μm) and GP (65.4±42.5μm) were statistically lower than the RS (96±62.9μm) and P (156±113.3μm) (p=0.001). The retentive strength of the GP (470.5±104.1N) and GS (416.8±170.2N) were similar to the P (342.1±109.7N), but statistically higher than those of the RS (208.9±110N). The GS and GP glaze layer was 11.64μm and 9.73μm respectively. Thus, glaze application promoted lower marginal discrepancy and higher retentive strength values than conventional techniques.

A demonstration of adjoint methods for multi-dimensional remote sensing of the atmosphere and surface

NASA Astrophysics Data System (ADS)

Martin, William G. K.; Hasekamp, Otto P.

2018-01-01

In previous work, we derived the adjoint method as a computationally efficient path to three-dimensional (3D) retrievals of clouds and aerosols. In this paper we will demonstrate the use of adjoint methods for retrieving two-dimensional (2D) fields of cloud extinction. The demonstration uses a new 2D radiative transfer solver (FSDOM). This radiation code was augmented with adjoint methods to allow efficient derivative calculations needed to retrieve cloud and surface properties from multi-angle reflectance measurements. The code was then used in three synthetic retrieval studies. Our retrieval algorithm adjusts the cloud extinction field and surface albedo to minimize the measurement misfit function with a gradient-based, quasi-Newton approach. At each step we compute the value of the misfit function and its gradient with two calls to the solver FSDOM. First we solve the forward radiative transfer equation to compute the residual misfit with measurements, and second we solve the adjoint radiative transfer equation to compute the gradient of the misfit function with respect to all unknowns. The synthetic retrieval studies verify that adjoint methods are scalable to retrieval problems with many measurements and unknowns. We can retrieve the vertically-integrated optical depth of moderately thick clouds as a function of the horizontal coordinate. It is also possible to retrieve the vertical profile of clouds that are separated by clear regions. The vertical profile retrievals improve for smaller cloud fractions. This leads to the conclusion that cloud edges actually increase the amount of information that is available for retrieving the vertical profile of clouds. However, to exploit this information one must retrieve the horizontally heterogeneous cloud properties with a 2D (or 3D) model. This prototype shows that adjoint methods can efficiently compute the gradient of the misfit function. This work paves the way for the application of similar methods to 3D remote sensing problems.

The co-evolution of microstructure features in self-ion irradiated HT9 at very high damage levels

NASA Astrophysics Data System (ADS)

Getto, Elizabeth Margaret

The objective of this study was to understand the co-evolution of microstructure features in self-ion irradiated HT9 at very high damage levels. HT9 (heat 84425) was pre-implanted with 10 atom parts per million helium and then irradiated with 5 MeV Fe++ in the temperature range of 440-480°C to 188 dpa. A damage dependence study from 75 to 650 dpa was performed at the peak swelling temperature of 460°C. The swelling, dislocation and precipitate evolution was determined using Analytic Electron Microscopes in both Conventional Transmission electron microscopy (CTEM) and Scanning Transmission Electron Microscopy (STEM) modes. Void swelling reached a nominally linear rate of 0.03%/dpa from 188 to 650 dpa at 460°C. G phase precipitates were observed by 75 dpa and grew linearly up to 650 dpa. M 2X was observed by 250 dpa and peaked in volume fraction at 450 dpa. Dislocation loop evolution was observed up to 650 dpa including a step change in diameter between 375 and 450 dpa; which correlated with nucleation and growth of M2X. The experimental results were interpreted using a rate theory model, the Radiation Induced Microstructure Evolution (RIME), in the damage range from 188 to 650 dpa. A simple system of voids and dislocations was modeled in which the dislocations measured from experiment were used as input, or the dislocations were allowed to evolve dynamically, resulting in swelling that was overestimated by 63% relative to that observed experimentally. G phase had limited effect on the void or dislocation behavior. The behavior of M2X within the microstructure was characterized as a direct effect as a coherent sink, and as an indirect effect in consuming carbon from the matrix, which had the largest impact on both void and dislocation behavior. A slowly monotonically increasing swelling rate was observed both experimentally and computationally, with swelling rates of ˜0.025%/dpa and ˜0.036%/dpa before and after 450 dpa. The agreement in void behavior between experiment and model when all effects (loops, network, G phase, M2X formation and growth, and removal of carbon) are accounted for demonstrates the importance of characterizing the evolution of the full microstructure over a large dpa range.

Effect of heavy ion irradiation on microstructural evolution in CF8 cast austenitic stainless steel

DOE PAGES

Chen, Wei-Ying; Li, Meimei; Kirk, Marquis A.; ...

2015-08-21

The microstructural evolution in ferrite and austenitic in cast austenitic stainless steel (CASS) CF8, as received or thermally aged at 400 °C for 10,000 h, was followed under TEM with in situ irradiation of 1 MeV Kr ions at 300 and 350 °C to a fluence of 1.9 × 10 15 ions/cm 2 (~3 dpa) at the IVEM-Tandem Facility. For the unaged CF8, the irradiation-induced dislocation loops appeared at a much lower dose in the austenite than in the ferrite. At the end dose, the austenite formed a well-developed dislocation network microstructure, while the ferrite exhibited an extended dislocation structuremore » as line segments. Compared to the unaged CF8, the aged specimen appeared to have lower rate of damage accumulation. The rate of microstructural evolution under irradiation in the ferrite was significantly lower in the aged specimen than in the unaged. Finally, we attributed this difference to the different initial microstructures in the unaged and aged specimens, which implies that thermal aging and irradiation are not independent but interconnected damage processes.« less

Ion-irradiation-induced microstructural modifications in ferritic/martensitic steel T91

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiang; Miao, Yinbin; Li, Meimei

In this paper, in situ transmission electron microscopy investigations were carried out to study the microstructural evolution of ferritic/martensitic steel T91 under 1 MeV Krypton ion irradiation up to 4.2 x 10(15) ions/cm(2) at 573 K, 673 K, and 773 K. At 573 K, grown-in defects are strongly modified by black dot loops, and dislocation networks together with black-dot loops were observed after irradiation. At 673 K and 773 K, grown-in defects are only partially modified by dislocation loops; isolated loops and dislocation segments were commonly found after irradiation. Post irradiation examination indicates that at 4.2 x 1015 ions/cm(2), aboutmore » 51% of the loops were a(0)/2 < 111 > type for the 673 K irradiation, and the dominant loop type was a(0)< 100 > for the 773 K irradiation. Finally, a dispersed barrier hardening model was employed to estimate the change in yield strength, and the calculated ion data were found to follow the similar trend as the existing neutron data with an offset of 100-150 MPa. (C) 2017 Elsevier B.V. All rights reserved.« less

Telluride Misfit Layer Compounds: [(PbTe) 1.17 ] m (TiTe 2 ) n

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Daniel B.; Beekman, Matt; Disch, Sabrina

Telluride misfit layer compounds are reported for the first time. These compounds were synthesized using a novel approach of structurally designing a precursor that would form the desired product upon low-temperature annealing, which allows the synthesis of kinetically stable products that do not appear on the equilibrium phase diagram. Four new compounds of the [(PbTe)1.17]m(TiTe2)n family are reported, and their structures were examined by a variety of X-ray diffraction techniques.

A radiograph positioning technique to evaluate prosthetic misfit and bone loss around implants.

PubMed

Lin, Kevin C; Wadhwani, Chandur P K; Sharma, Arun; Finzen, Frederick

2014-02-01

A radiograph positioning device was developed to fit with commercially available film holders and implant systems. The device is indexed to the dental implant body and the adjacent dentition by using an implant placement driver and polyvinyl siloxane occlusal registration material. By fitting the device to a conventional film holder, accurate orthogonal radiographs can monitor changes in bone architecture and prosthetic misfit. Copyright © 2014 Editorial Council for the Journal of Prosthetic Dentistry. Published by Mosby, Inc. All rights reserved.

Telluride Misfit Layer Compounds: [(PbTe) 1.17 ] m (TiTe 2 ) n

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moore, Daniel B.; Beekman, Matt; Disch, Sabrina

2014-04-09

Telluride misfit layer compounds are reported for the first time. These compounds were synthesized using a novel approach of structurally designing a precursor that would form the desired product upon low-temperature annealing, which allows the synthesis of kinetically stable products that do not appear on the equilibrium phase diagram. Four new compounds of the [(PbTe)1.17]m(TiTe2)n family are reported, and their structures were examined by a variety of X-ray diffraction techniques.

"Generality of mis-fit"? The real-life difficulty of matching scales in an interconnected world.

PubMed

Keskitalo, E Carina H; Horstkotte, Tim; Kivinen, Sonja; Forbes, Bruce; Käyhkö, Jukka

2016-10-01

A clear understanding of processes at multiple scales and levels is of special significance when conceiving strategies for human-environment interactions. However, understanding and application of the scale concept often differ between administrative-political and ecological disciplines. These mirror major differences in potential solutions whether and how scales can, at all, be made congruent. As a result, opportunities of seeking "goodness-of-fit" between different concepts of governance should perhaps be reconsidered in the light of a potential "generality of mis-fit." This article reviews the interdisciplinary considerations inherent in the concept of scale in its ecological, as well as administrative-political, significance and argues that issues of how to manage "mis-fit" should be awarded more emphasis in social-ecological research and management practices. These considerations are exemplified by the case of reindeer husbandry in Fennoscandia. Whilst an indigenous small-scale practice, reindeer husbandry involves multi-level ecological and administrative-political complexities-complexities that we argue may arise in any multi-level system.

Directional solidification of silicon in carbon crucibles by an oscillating crucible technique

NASA Technical Reports Server (NTRS)

Daud, T.; Dumas, K. A.; Schwuttke, G. H.; Smetana, P.; Kim, K. M.

1982-01-01

The quality of silicon cast by present techniques is limited by the presence of dislocations and grain boundaries in unseeded growth and by cellular structures with dislocation networks in the case of the seeded growth. To address these concerns, a new method of directional solidification called the oscillating crucible technique (OCT) is developed. During growth, a carbon crucible is oscillated to provide for effective stirring of the melt. This growth technique (seeded growth only), along with material characterization and solar-cell fabrication and testing, is described. Solar-cell efficiencies of up to 13 percent at 100 mW/sq cm area obtained in the single crystalline areas. Minority-carrier diffusion lengths exceeding 100 microns are measured even in the polycrystalline areas of the wafers. Limitations of the present setup and possible future improvements are discussed.

Role of copper in precipitation hardening of high-alloy Cr-Ni cast steels

NASA Astrophysics Data System (ADS)

Gajewski, Mirosław

2006-02-01

The mechanism of strengthening with second-phase particles that results from heat treatment, i.e., precipitate hardening, plays an important role in modern alloys. The strengthening effect of such particles can result from their coherence with the matrix, inhibition of dislocation slip, inhibition of grain boundary slip, as well as hampering recovery processes due to dislocation network pinning. The results of investigations into high-alloy Cr-Ni-Cu cast steels precipitate hardened with highly dispersed ɛ phase particles are presented within. The influence of heat treatment on changes in microstructure, mechanical properties, and morphology of fracture surfaces obtained under loading have been analyzed. It has been demonstrated that, with the appropriate selection of heat treatment parameters, it is possible to control the precipitation of the hardening ɛ phase and, thus, to change the final mechanical and functional properties.

Effect of microstructure on high-temperature mechanical behavior of nickel-base superalloys for turbine disc applications

NASA Astrophysics Data System (ADS)

Sharpe, Heather Joan

2007-05-01

Engineers constantly seek advancements in the performance of aircraft and power generation engines, including, lower costs and emissions, and improved fuel efficiency. Nickel-base superalloys are the material of choice for turbine discs, which experience some of the highest temperatures and stresses in the engine. Engine performance is proportional to operating temperatures. Consequently, the high-temperature capabilities of disc materials limit the performance of gas-turbine engines. Therefore, any improvements to engine performance necessitate improved alloy performance. In order to take advantage of improvements in high-temperature capabilities through tailoring of alloy microstructure, the overall objectives of this work were to establish relationships between alloy processing and microstructure, and between microstructure and mechanical properties. In addition, the projected aimed to demonstrate the applicability of neural network modeling to the field of Ni-base disc alloy development and behavior. The first phase of this work addressed the issue of how microstructure varies with heat treatment and by what mechanisms these structures are formed. Further it considered how superalloy composition could account for microstructural variations from the same heat treatment. To study this, four next-generation Ni-base disc alloys were subjected to various controlled heat-treatments and the resulting microstructures were then quantified. These quantitative results were correlated to chemistry and processing, including solution temperature, cooling rate, and intermediate hold temperature. A complex interaction of processing steps and chemistry was found to contribute to all features measured; grain size, precipitate distribution, grain boundary serrations. Solution temperature, above a certain threshold, and cooling rate controlled grain size, while cooling rate and intermediate hold temperature controlled precipitate formation and grain boundary serrations. Diffusion, both intergranular and grain boundary, was identified as the most pertinent mechanism. Variations in chemistry between alloys created different amounts of gamma/gamma' misfit strain, which affected precipitate size and morphology. Next the question of how a disc alloy with differing microstructures would respond to constant or cyclic stresses as a function of time was addressed. To this end, mechanical testing at elevated temperatures was conducted, including tensile, hardness, creep deformation, creep crack growth and fatigue crack growth. Overall, mechanical properties were primarily related to the cooling rate during processing with hold temperatures being secondary. Whether the impact was positive or negative depended on the behavior under consideration. Fast cooling rates improved yield strength and creep resistance, but were detrimental to creep crack growth rates. The ability of precipitate particles to impede dislocation motion was the most frequently cited mechanism behind structure-property interaction. Neural network models were successfully generated for processing-structure predictions, as well as for structure-property predictions. Training data was limited, none-the-less models were able to predict outputs with minimal relative errors. This was achieved through careful balance between the number of inputs and amount of training data. Despite the demonstrated correlation between microstructure and yield strength, microstructural quantities did not need to be directly inputted. Neural networks were sufficiently sensitive as to infer these effects from processing and chemistry inputs. This result improves the efficiency of this technique, while also demonstrating the capability of neural network techniques. A full program of heat-treatment, microstructure quantification, mechanical testing, and neural network modeling was successfully applied to next generation Ni-base disc alloys. From this work the mechanisms of processing-structure and structure-property relationships were studied. Further, testing results were used to demonstrate the applicability of machine-learning techniques to the development and optimization of this family of superalloys.

Solute partitioning in multi-component γ/γ' Co–Ni-base superalloys with near-zero lattice misfit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meher, S.; Carroll, L. J.; Pollock, T. M.

The addition of nickel to cobalt-base alloys enables alloys with a near zero γ – γ' lattice misfit. The solute partitioning between ordered γ' precipitates and the disordered γ matrix have been investigated using atom probe tomography. Lastly, the unique shift in solute partitioning in these alloys, as compared to that in simpler Co-base alloys, derives from changes in site substitution of solutes as the relative amounts of Co and Ni change, highlighting new opportunities for the development of advanced tailored alloys.

Solute partitioning in multi-component γ/γ' Co–Ni-base superalloys with near-zero lattice misfit

DOE PAGES

Meher, S.; Carroll, L. J.; Pollock, T. M.; ...

2015-11-21

The addition of nickel to cobalt-base alloys enables alloys with a near zero γ – γ' lattice misfit. The solute partitioning between ordered γ' precipitates and the disordered γ matrix have been investigated using atom probe tomography. Lastly, the unique shift in solute partitioning in these alloys, as compared to that in simpler Co-base alloys, derives from changes in site substitution of solutes as the relative amounts of Co and Ni change, highlighting new opportunities for the development of advanced tailored alloys.

Strain-driven phase transitions and associated dielectric/piezoelectric anomalies in BiFeO3 thin films

NASA Astrophysics Data System (ADS)

Huang, C. W.; Chu, Y. H.; Chen, Z. H.; Wang, Junling; Sritharan, T.; He, Q.; Ramesh, R.; Chen, Lang

2010-10-01

Strain-driven phase transitions and related intrinsic polarization, dielectric, and piezoelectric properties for single-domain films were studied for BiFeO3 using phenomenological Landau-Devonshire theory. A stable and mixed structure between tetragonal and rhombohedral-like (monoclinic) phases is predicted at a compressive misfit strain of um=-0.0382 without an energy barrier. For a tensile misfit strain of um=0.0272, another phase transition between the monoclinic and orthorhombic phases was predicted with sharply high dielectric and piezoelectric responses.

Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging

DOE PAGES

Ulvestad, A.; Nashed, Y.; Beutier, G.; ...

2017-08-30

In this study, crystallographic defects such as dislocations can significantly alter material properties and functionality. However, imaging these imperfections during operation remains challenging due to the short length scales involved and the reactive environments of interest. Bragg coherent diffractive imaging (BCDI) has emerged as a powerful tool capable of identifying dislocations, twin domains, and other defects in 3D detail with nanometer spatial resolution within nanocrystals and grains in reactive environments. However, BCDI relies on phase retrieval algorithms that can fail to accurately reconstruct the defect network. Here, we use numerical simulations to explore different guided phase retrieval algorithms for imagingmore » defective crystals using BCDI. We explore different defect types, defect densities, Bragg peaks, and guided algorithm fitness metrics as a function of signal-to-noise ratio. Based on these results, we offer a general prescription for phasing of defective crystals with no a prior knowledge.« less

Identifying Defects with Guided Algorithms in Bragg Coherent Diffractive Imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulvestad, A.; Nashed, Y.; Beutier, G.

In this study, crystallographic defects such as dislocations can significantly alter material properties and functionality. However, imaging these imperfections during operation remains challenging due to the short length scales involved and the reactive environments of interest. Bragg coherent diffractive imaging (BCDI) has emerged as a powerful tool capable of identifying dislocations, twin domains, and other defects in 3D detail with nanometer spatial resolution within nanocrystals and grains in reactive environments. However, BCDI relies on phase retrieval algorithms that can fail to accurately reconstruct the defect network. Here, we use numerical simulations to explore different guided phase retrieval algorithms for imagingmore » defective crystals using BCDI. We explore different defect types, defect densities, Bragg peaks, and guided algorithm fitness metrics as a function of signal-to-noise ratio. Based on these results, we offer a general prescription for phasing of defective crystals with no a prior knowledge.« less

Nucleation, growth, and strain relaxation of lattice-mismatched 3-5 semiconductor epitaxial layers

NASA Technical Reports Server (NTRS)

Welser, R. E.; Guido, L. J.

1994-01-01

We have investigated the early stages of evolution of highly strained 2-D InAs layers and 3-D InAs islands grown by metal-organic chemical vapor deposition (MOCVD) on (100) and (111)B GaAs substrates. The InAs epilayer/GaAs substrate combination has been chosen because the lattice-mismatch is severe (approximately 7.2 percent), yet these materials are otherwise very similar. By examining InAs-on-GaAs composites instead of the more common In(x)Ga(1-x)As alloy we remove an additional degree of freedom (x) and thereby simplify data interpretation. A matrix of experiments is described in which the MOCVD growth parameters - susceptor temperature, Thin flux, and AsH3 flux - have been varied over a wide range. Scanning electron microscopy, atomic force microscopy, transmission electron microscopy, and electron microprobe analysis have been employed to observe the thin film surface morphology. In the case of 3-D growth, we have extracted activation energies and power-dependent exponents that characterize the nucleation process. As a consequence, optimized growth conditions have been identified for depositing approximately 250 A thick (100) and (111)B oriented InAs layers with relatively smooth surfaces. Together with preliminary data on the strain relaxation of these layers, the above results on the evolution of thin InAs films indicate that the (111)B orientation is particularly promising for yielding lattice-mismatched films that are fully relaxed with only misfit dislocations at the epilayer/substrate interface.

Growth of L1{sub 0}-ordered crystal in FePt and FePd thin films on MgO(001) substrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Futamoto, Masaaki, E-mail: futamoto@elect.chuo-u.ac.jp; Nakamura, Masahiro; Ohtake, Mitsuru

2016-08-15

Formation of L1{sub 0}-oredered structure from disordered A1 phase has been investigated for FePt and FePd films on MgO(001) substrates employing a two-step method consisting of low temperature deposition at 200 °C followed by high-temperature annealing at 600 °C. L1{sub 0}-(001) variant crystal with the c-axis perpendicular to the substrate grows preferentially in FePd films whereas L1{sub 0}-(100), (010) variants tend to be mixed with the L1{sub 0}-(001) variant in FePt films. The structure analysis by X-ray diffraction indicates that a difference in A1 lattice strain is the influential factor that determines the resulting L1{sub 0}-variant structure in ordered thinmore » films. Misfit dislocations and anti-phase boundaries are observed in high-resolution transmission electron micrographs of 10 nm-thick Fe(Pt, Pd) film consisting of L1{sub 0}-(001) variants which are formed through atomic diffusion at 600 °C in a laterally strained FePt/PeFd epitaxial thin film. Based on the experimental results, a nucleation and growth model for explaining L1{sub 0}-variant formation is proposed, which suggests a possibility in tailoring the L1{sub 0} variant structure in ordered magnetic thin films by controlling the alloy composition, the layer structure, and the substrate material.« less

Effects of the Process Parameters on the Microstructure and Properties of Nitrided 17-4PH Stainless Steel

NASA Astrophysics Data System (ADS)

Wang, Jun; Lin, Yuanhua; Zeng, Dezhi; Yan, Jing; Fan, Hongyuan

2013-04-01

The effects of process parameters on the microstructure, microhardness, and dry-sliding wear behavior of plasma nitrided 17-4PH stainless steel were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and wear testing. The results show that a wear-resistant nitrided layer was formed on the surface of direct current plasma nitrided 17-4PH martensitic stainless steel. The microstructure and thickness of the nitrided layer is dependent on the treatment temperature rather than process pressure. XRD indicated that a single α N phase was formed during nitriding at 623 K (350 °C). When the temperature increased, the α N phase disappeared and CrN transformed in the nitrided layer. The hardness measurement demonstrated that the hardness of the stainless substrate steel increased from 320 HV0.1 in the untreated condition increasing to about 1275HV0.1 after nitriding 623 K (350 °C)/600 pa/4 hours. The extremely high values of the microhardness achieved by the great misfit-induced stress fields associated with the plenty of dislocation group and stacking fault. Dry-sliding wear resistance was improved by DC plasma nitriding. The best wear-resistance performance of a nitrided sample was obtained after nitriding at 673 K (350 °C), when the single α N-phase was produced and there were no CrN precipitates in the nitrided layer.

Global seismic attenuation imaging using full-waveform inversion: a comparative assessment of different choices of misfit functionals

NASA Astrophysics Data System (ADS)

Karaoǧlu, Haydar; Romanowicz, Barbara

2018-02-01

We present the results of synthetic tests that aim at evaluating the relative performance of three different definitions of misfit functionals in the context of 3-D imaging of shear wave attenuation in the earth's upper mantle at the global scale, using long-period full-waveform data. The synthetic tests are conducted with simple hypothetical upper-mantle models that contain Qμ anomalies centred at different depths and locations, with or without additional seismic velocity anomalies. To build synthetic waveform data sets, we performed simulations of 50 events in the hypothetical (target) models, using the spectral element method, filtered in the period range 60-400 s. The selected events are chosen among 273 events used in the development of radially anisotropic model SEMUCB-WM1 and recorded at 495 stations worldwide. The synthetic Z-component waveforms correspond to paths and time intervals (fundamental mode and overtone Rayleigh waves) that exist in the real waveform data set. The inversions for shear attenuation structure are carried out using a Gauss-Newton optimization scheme in which the gradient and Hessian are computed using normal mode perturbation theory. The three different misfit functionals considered are based on time domain waveform (WF) and waveform envelope (E-WF) differences, as well as spectral amplitude ratios (SA), between observed and predicted waveforms. We evaluate the performance of the three misfit functional definitions in the presence of seismic noise and unresolved S-wave velocity heterogeneity and discuss the relative importance of physical dispersion effects due to 3-D Qμ structure. We observed that the performance of WF is poorer than the other two misfit functionals in recovering attenuation structure, unless anelastic dispersion effects are taken into account in the calculation of partial derivatives. WF also turns out to be more sensitive to seismic noise than E-WF and SA. Overall, SA performs best for attenuation imaging. Our tests show that it is important to account for 3-D elastic effects (focusing) before inverting for Qμ. Additionally, we show that including high signal-to-noise ratio overtone wave packets is necessary to resolve Qμ structure at depths greater than 250 km.

Effect of cyclic load on vertical misfit of prefabricated and cast implant single abutment

PubMed Central

DE JESUS TAVAREZ, Rudys Rodolfo; BONACHELA, Wellington Cardoso; XIBLE, Anuar Antônio

2011-01-01

Objective The purpose of this in vitro study was to evaluate misfit alterations at the implant/abutment interface of external and internal connection implant systems when subjected to cyclic loading. Material and Methods Standard metal crowns were fabricated for 5 groups (n=10) of implant/abutment assemblies: Group 1, external hexagon implant and UCLA cast-on premachined abutment; Group 2, internal hexagon implant and premachined abutment; Group 3, internal octagon implant and prefabricated abutment; Group 4, external hexagon implant and UCLA cast-on premachined abutment; and Group 5, external hexagon implant and Ceraone abutment. For groups 1, 2, 3 and 5, the crowns were cemented on the abutments and in group 4 crowns were screwed directly on the implant. The specimens were subjected to 500,000 cycles at 19.1 Hz of frequency and non-axial load of 133 N in a MTS 810 machine. The vertical misfit (μm) at the implant/abutment interface was evaluated before (B) and after (A) application of the cyclic loading. Data were analyzed statistically by using two-away ANOVA and Tukey’s post-hoc test (p<0.05). Results Before loading values showed no difference among groups 2 (4.33±3.13), 3 (4.79±3.43) and 5 (3.86±4.60); between groups 1 (12.88±6.43) and 4 (9.67±3.08), and among groups 2, 3 and 4. However, groups 1 and 4 were significantly different from groups 2, 3 and 5. After loading values of groups 1 (17.28±8.77) and 4 (17.78±10.99) were significantly different from those of groups 2 (4.83±4.50), 3 (8.07±4.31) and 5 (3.81±4.84). There was a significant increase in misfit values of groups 1, 3 and 4 after cyclic loading, but not for groups 2 and 5. Conclusion The cyclic loading and type of implant/abutment connection may develop a role on the vertical misfit at the implant/abutment interface. PMID:21437464

Vertical misfit of laser-sintered and vacuum-cast implant-supported crown copings luted with definitive and temporary luting agents

PubMed Central

Sánchez-Turrión, Andrés; López-Lozano, José F.; Albaladejo, Alberto; Torres-Lagares, Daniel; Montero, Javier; Suárez-García, Maria J.

2012-01-01

Objectives. This study aimed to evaluate the vertical discrepancy of implant-supported crown structures constructed with vacuum-casting and Direct Metal Laser Sintering (DMLS) technologies, and luted with different cement types. Study Design. Crown copings were fabricated using: (1) direct metal laser sintered Co-Cr (LS); (2) vacuum-cast Co-Cr (CC); and (3) vacuum-cast Ti (CT). Frameworks were luted onto machined implant abutments under constant seating pressure. Each alloy group was randomly divided into 5 subgroups (n = 10 each) according to the cement system utilized: Subgroup 1 (KC) used resin-modified glass-ionomer Ketac Cem Plus; Subgroup 2 (PF) used Panavia F 2.0 dual-cure resin cement; Subgroup 3 (RXU) used RelyX Unicem 2 Automix self-adhesive dual-cure resin cement; Subgroup 4 (PIC) used acrylic/urethane-based temporary Premier Implant Cement; and Subgroup 5 (DT) used acrylic/urethane-based temporary DentoTemp cement. Vertical misfit was measured by scanning electron microscopy (SEM). Two-way ANOVA and Student-Newman-Keuls tests were run to investigate the effect of alloy/fabrication technique, and cement type on vertical misfit. The statistical significance was set at α = 0.05. Results. The alloy/manufacturing technique and the luting cement affected the vertical discrepancy (p < 0.001). For each cement type, LS samples exhibited the best fit (p < 0.01) whereas CC and CT frames were statistically similar. Within each alloy group, PF and RXU provided comparably greater discrepancies than KC, PIC, and DT, which showed no differences. Conclusions. Laser sintering may be an alternative to vacuum-casting of base metals to obtain passive-fitting implant-supported crown copings. The best marginal adaptation corresponded to laser sintered structures luted with glass-ionomer KC, or temporary PIC or DT cements. The highest discrepancies were recorded for Co-Cr and Ti cast frameworks bonded with PF or RXU resinous agents. All groups were within the clinically acceptable misfit range. Key words:Dental alloy, laser sintering, implant-supported prostheses, vertical discrepancy, vertical misfit. PMID:22322524

Analysis of Seasonal Chlorophyll-a Using An Adjoint Three-Dimensional Ocean Carbon Cycle Model

NASA Astrophysics Data System (ADS)

Tjiputra, J.; Winguth, A.; Polzin, D.

2004-12-01

The misfit between numerical ocean model and observations can be reduced using data assimilation. This can be achieved by optimizing the model parameter values using adjoint model. The adjoint model minimizes the model-data misfit by estimating the sensitivity or gradient of the cost function with respect to initial condition, boundary condition, or parameters. The adjoint technique was used to assimilate seasonal chlorophyll-a data from the Sea-viewing Wide Field-of-view Sensor (SeaWiFS) satellite to a marine biogeochemical model HAMOCC5.1. An Identical Twin Experiment (ITE) was conducted to test the robustness of the model and the non-linearity level of the forward model. The ITE experiment successfully recovered most of the perturbed parameter to their initial values, and identified the most sensitive ecosystem parameters, which contribute significantly to model-data bias. The regional assimilations of SeaWiFS chlorophyll-a data into the model were able to reduce the model-data misfit (i.e. the cost function) significantly. The cost function reduction mostly occurred in the high latitudes (e.g. the model-data misfit in the northern region during summer season was reduced by 54%). On the other hand, the equatorial regions appear to be relatively stable with no strong reduction in cost function. The optimized parameter set is used to forecast the carbon fluxes between marine ecosystem compartments (e.g. Phytoplankton, Zooplankton, Nutrients, Particulate Organic Carbon, and Dissolved Organic Carbon). The a posteriori model run using the regional best-fit parameterization yields approximately 36 PgC/yr of global net primary productions in the euphotic zone.

Localizing softness and stress along loops in 3D topological metamaterials

NASA Astrophysics Data System (ADS)

Baardink, Guido; Souslov, Anton; Paulose, Jayson; Vitelli, Vincenzo

2018-01-01

Topological states can be used to control the mechanical properties of a material along an edge or around a localized defect. The rigidity of elastic networks is characterized by a topological invariant called the polarization; materials with a well-defined uniform polarization display a dramatic range of edge softness depending on the orientation of the polarization relative to the terminating surface. However, in all 3D mechanical metamaterials proposed to date, the topological modes are mixed with bulk soft modes, which organize themselves in Weyl loops. Here, we report the design of a 3D topological metamaterial without Weyl lines and with a uniform polarization that leads to an asymmetry between the number of soft modes on opposing surfaces. We then use this construction to localize topological soft modes in interior regions of the material by including defect lines—dislocation loops—that are unique to three dimensions. We derive a general formula that relates the difference in the number of soft modes and states of self-stress localized along the dislocation loop to the handedness of the vector triad formed by the lattice polarization, Burgers vector, and dislocation-line direction. Our findings suggest a strategy for preprogramming failure and softness localized along lines in 3D, while avoiding extended soft Weyl modes.

Misfit paradox on nucleation potency of MgO and MgAl{sub 2}O{sub 4} for Al

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, D.; Wang, L.

MgO and MgAl{sub 2}O{sub 4} are believed to be effective heterogeneous nuclei for Al based alloys due to their small lattice misfits with Al. However, there is a strong evidence to suggest that liquid Al reacts with MgO and MgAl{sub 2}O{sub 4} phases but the heterogeneous nucleation behavior of such phases is rarely discussed. In order to identify the nucleation mechanism of Al, under the interference of the chemical reaction, the heterogeneous nucleation process is systematically investigated through thermal analysis and high resolution transmission electron microscopy (HRTEM). The observed multi-nucleation interfaces (Al/MgO, Al/MgAl{sub 2}O{sub 4} and Al/Al{sub 2}O{sub 3}) andmore » scattered experimental undercooling data indicate an independent multi-phase nucleation process in these systems. - Highlights: •Theoretical lattice misfit doesn’t always disclose nucleation potency. •The nucleation of liquid can be triggered by multi-nucleation interfaces. •An independent multi-agents nucleation was verified in the study.« less

Misfit strain-temperature phase diagrams and domain stability of asymmetric ferroelectric capacitors: Thermodynamic calculation and phase-field simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, W. J.; Zheng, Yue, E-mail: zhengy35@mail.sysu.edu.cn; Wu, C. M.

Thermodynamic calculation and phase-field simulation have been conducted to investigate the misfit strain-temperature phase diagrams, dielectric property, and domain stability of asymmetric ferroelectric capacitors (FCs), with considering the effects of dissimilar screening properties and work function steps at the two interfaces. The distinct features of asymmetric FCs from their symmetric counterparts have been revealed and discussed. Polar states with nonzero out-of-plane polarization in parallel with the built-in field are found preferential to form in asymmetric FCs. Meanwhile, the built-in field breaks the degeneracy of states with out-of-plane polarization in anti-directions. This leads to the necessity of redefining phases according tomore » the bistability of out-of-plane polarization. Moreover, the phase stability as well as the dielectric behavior can be significantly controlled by the properties of electrodes, misfit strain, and temperature. The phase-field simulation result also shows that polydomain instability would happen in asymmetric FCs as the equivalence of domain stability in anti-directions is destroyed.« less

Identifying potential misfit items in cognitive process of learning engineering mathematics based on Rasch model

NASA Astrophysics Data System (ADS)

Ataei, Sh; Mahmud, Z.; Khalid, M. N.

2014-04-01

The students learning outcomes clarify what students should know and be able to demonstrate after completing their course. So, one of the issues on the process of teaching and learning is how to assess students' learning. This paper describes an application of the dichotomous Rasch measurement model in measuring the cognitive process of engineering students' learning of mathematics. This study provides insights into the perspective of 54 engineering students' cognitive ability in learning Calculus III based on Bloom's Taxonomy on 31 items. The results denote that some of the examination questions are either too difficult or too easy for the majority of the students. This analysis yields FIT statistics which are able to identify if there is data departure from the Rasch theoretical model. The study has identified some potential misfit items based on the measurement of ZSTD where the removal misfit item was accomplished based on the MNSQ outfit of above 1.3 or less than 0.7 logit. Therefore, it is recommended that these items be reviewed or revised to better match the range of students' ability in the respective course.

Prenucleation Induced by Crystalline Substrates

NASA Astrophysics Data System (ADS)

Men, H.; Fan, Z.

2018-04-01

Prenucleation refers to the phenomenon of atomic ordering in the liquid adjacent to the substrate/liquid interface at temperatures above the liquidus. In this paper, we have systematically investigated and holistically quantified the prenucleation phenomenon as a function of temperature and the lattice misfit between the substrate and the solid, using molecular dynamics (MD) simulations. Our results have confirmed that at temperatures above the liquidus, the atoms in the liquid at the interface may exhibit pronounced atomic ordering, manifested by atomic layering normal to the interface, in-plane atomic ordering parallel to the interface, and the formation of a 2-dimensional (2D) ordered structure (a few atomic layers in thickness) on the substrate surface. Holistic quantification of such atomic ordering at the interface has revealed that the atomic layering is independent of lattice misfit and is only slightly enhanced by reducing temperature while both in-plane atomic ordering and the formation of the 2D ordered structure are significantly enhanced by reducing the lattice misfit and/or temperature. This substrate-induced atomic ordering in the liquid may have a significant influence on the subsequent heterogeneous nucleation process.

Multiscale modeling of dislocation-precipitate interactions in Fe: From molecular dynamics to discrete dislocations.

PubMed

Lehtinen, Arttu; Granberg, Fredric; Laurson, Lasse; Nordlund, Kai; Alava, Mikko J

2016-01-01

The stress-driven motion of dislocations in crystalline solids, and thus the ensuing plastic deformation process, is greatly influenced by the presence or absence of various pointlike defects such as precipitates or solute atoms. These defects act as obstacles for dislocation motion and hence affect the mechanical properties of the material. Here we combine molecular dynamics studies with three-dimensional discrete dislocation dynamics simulations in order to model the interaction between different kinds of precipitates and a 1/2〈111〉{110} edge dislocation in BCC iron. We have implemented immobile spherical precipitates into the ParaDis discrete dislocation dynamics code, with the dislocations interacting with the precipitates via a Gaussian potential, generating a normal force acting on the dislocation segments. The parameters used in the discrete dislocation dynamics simulations for the precipitate potential, the dislocation mobility, shear modulus, and dislocation core energy are obtained from molecular dynamics simulations. We compare the critical stresses needed to unpin the dislocation from the precipitate in molecular dynamics and discrete dislocation dynamics simulations in order to fit the two methods together and discuss the variety of the relevant pinning and depinning mechanisms.

A continuum theory of edge dislocations

NASA Astrophysics Data System (ADS)

Berdichevsky, V. L.

2017-09-01

Continuum theory of dislocation aims to describe the behavior of large ensembles of dislocations. This task is far from completion, and, most likely, does not have a "universal solution", which is applicable to any dislocation ensemble. In this regards it is important to have guiding lines set by benchmark cases, where the transition from a discrete set of dislocations to a continuum description is made rigorously. Two such cases have been considered recently: equilibrium of dislocation walls and screw dislocations in beams. In this paper one more case is studied, equilibrium of a large set of 2D edge dislocations placed randomly in a 2D bounded region. The major characteristic of interest is energy of dislocation ensemble, because it determines the structure of continuum equations. The homogenized energy functional is obtained for the periodic dislocation ensembles with a random contents of the periodic cell. Parameters of the periodic structure can change slowly on distances of order of the size of periodic cells. The energy functional is obtained by the variational-asymptotic method. Equilibrium positions are local minima of energy. It is confirmed the earlier assertion that energy density of the system is the sum of elastic energy of averaged elastic strains and microstructure energy, which is elastic energy of the neutralized dislocation system, i.e. the dislocation system placed in a constant dislocation density field making the averaged dislocation density zero. The computation of energy is reduced to solution of a variational cell problem. This problem is solved analytically. The solution is used to investigate stability of simple dislocation arrays, i.e. arrays with one dislocation in the periodic cell. The relations obtained yield two outcomes: First, there is a state parameter of the system, dislocation polarization; averaged stresses affect only dislocation polarization and cannot change other characteristics of the system. Second, the structure of dislocation phase space is strikingly simple. Dislocation phase space is split in a family of subspaces corresponding to constant values of dislocation polarizations; in each equipolarization subspace there are many local minima of energy; for zero external stresses the system is stuck in a local minimum of energy; for non-zero slowly changing external stress, dislocation polarization evolves, while the system moves over local energy minima of equipolarization subspaces. Such a simple picture of dislocation dynamics is due to the presence of two time scales, slow evolution of dislocation polarization and fast motion of the system over local minima of energy. The existence of two time scales is justified for a neutral system of edge dislocations.

Strain-assisted current-induced magnetization reversal in magnetic tunnel junctions: A micromagnetic study with phase-field microelasticity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, H. B., E-mail: houbinghuang@gmail.com; Department of Physics, University of Science and Technology Beijing, Beijing 100083; Hu, J. M.

2014-09-22

Effect of substrate misfit strain on current-induced in-plane magnetization reversal in CoFeB-MgO based magnetic tunnel junctions is investigated by combining micromagnetic simulations with phase-field microelasticity theory. It is found that the critical current density for in-plane magnetization reversal decreases dramatically with an increasing substrate strain, since the effective elastic field can drag the magnetization to one of the four in-plane diagonal directions. A potential strain-assisted multilevel bit spin transfer magnetization switching device using substrate misfit strain is also proposed.

Worker Dislocation. Case Studies of Causes and Cures.

ERIC Educational Resources Information Center

Cook, Robert F., Ed.

Case studies were made of the following dislocated worker programs: Cummins Engine Company Dislocated Worker Project; GM-UAW Metropolitan Pontiac Retraining and Employment Program; Minnesota Iron Range Dislocated Worker Project; Missouri Dislocated Worker Program Job Search Assistance, Inc.; Hillsborough, North Carolina, Dislocated Worker Project;…

Column-by-column observation of dislocation motion in CdTe: Dynamic scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Li, Chen; Zhang, Yu-Yang; Pennycook, Timothy J.; Wu, Yelong; Lupini, Andrew R.; Paudel, Naba; Pantelides, Sokrates T.; Yan, Yanfa; Pennycook, Stephen J.

2016-10-01

The dynamics of partial dislocations in CdTe have been observed at the atomic scale using aberration-corrected scanning transmission electron microscopy (STEM), allowing the mobility of different dislocations to be directly compared: Cd-core Shockley partial dislocations are more mobile than Te-core partials, and dislocation cores with unpaired columns have higher mobility than those without unpaired columns. The dynamic imaging also provides insight into the process by which the dislocations glide. Dislocations with dangling bonds on unpaired columns are found to be more mobile because the dangling bonds mediate the bond exchanges required for the dislocations to move. Furthermore, a screw dislocation has been resolved to dissociate into a Shockley partial-dislocation pair along two different directions, revealing a way for the screw dislocation to glide in the material. The results show that dynamic STEM imaging has the potential to uncover the details of dislocation motion not easily accessible by other means.

Formation of Molecular Networks: Tailored Quantum Boxes and Behavior of Adsorbed CO in Them

NASA Astrophysics Data System (ADS)

Wyrick, Jon; Sun, Dezheng; Kim, Dae-Ho; Cheng, Zhihai; Lu, Wenhao; Zhu, Yeming; Luo, Miaomiao; Kim, Yong Su; Rotenberg, Eli; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

2011-03-01

We show that the behavior of CO adsorbed into the pores of large regular networks on Cu(111) is significantly affected by their nano-scale lateral confinement and that formation of the networks themselves is directed by the Shockley surface state. Saturation coverages of CO are found to exhibit persistent dislocation lines; at lower coverages their mobility increases. Individual CO within the pores titrate the surface state, providing crucial information for understanding formation of the network as a result of optimization of the number N of electrons bound within each pore. Determination of N is based on quinone-coverage-dependent UPS data and an analysis of states of particles in a pore-shaped box (verified by CO's titration); a wide range of possible pore shapes and sizes has been considered. Work at UCR supported by NSF CHE 07-49949; at UMD by NSF CHE 07-50334 & UMD NSF-MRSEC DMR 05-20471.

Habitual dislocation of patella: A review

PubMed Central

Batra, Sumit; Arora, Sumit

2014-01-01

Habitual dislocation of patella is a condition where the patella dislocates whenever the knee is flexed and spontaneously relocates with extension of the knee. It is also termed as obligatory dislocation as the patella dislocates completely with each flexion and extension cycle of the knee and the patient has no control over the patella dislocating as he or she moves the knee1. It usually presents after the child starts to walk, and is often well tolerated in children, if it is not painful. However it may present in childhood with dysfunction and instability. Very little literature is available on habitual dislocation of patella as most of the studies have combined cases of recurrent dislocation with habitual dislocation. Many different surgical techniques have been described in the literature for the treatment of habitual dislocation of patella. No single procedure is fully effective in the surgical treatment of habitual dislocation of patella and a combination of procedures is recommended. PMID:25983506

Atomic-scale investigation of point defects and hydrogen-solute atmospheres on the edge dislocation mobility in alpha iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhatia, M. A.; Solanki, K. N., E-mail: kiran.solanki@asu.edu; Groh, S.

2014-08-14

In this study, we present atomistic mechanisms of 1/2 [111](11{sup ¯}0) edge dislocation interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres in body centered cubic (bcc) iron. In metals such as iron, increases in hydrogen concentration can increase dislocation mobility and/or cleavage-type decohesion. Here, we first investigate the dislocation mobility in the presence of various point defects, i.e., change in the frictional stress as the edge dislocation interacts with (a) vacancy, (b) substitutional hydrogen, (c) one substitutional and one interstitial hydrogen, (d) interstitial hydrogen, (e) vacancy and interstitial hydrogen, and (f) two interstitial hydrogen. Second, we examinemore » the role of a hydrogen-solute atmosphere on the rate of local dislocation velocity. The edge dislocation simulation with a vacancy in the compression side of the dislocation and an interstitial hydrogen atom at the tension side exhibit the strongest mechanical response, suggesting a higher potential barrier and hence, the higher frictional stress (i.e., ∼83% higher than the pure iron Peierls stress). In the case of a dislocation interacting with a vacancy on the compressive side, the vacancy binds with the edge dislocation, resulting in an increase in the friction stress of about 28% when compared with the Peierls stress of an edge dislocation in pure iron. Furthermore, as the applied strain increases, the vacancy migrates through a dislocation transportation mechanism by attaining a velocity of the same order as the dislocation velocity. For the case of the edge dislocation interacting with interstitial hydrogen on the tension side, the hydrogen atom jumps through one layer perpendicular to the glide plane during the pinning-unpinning process. Finally, our simulation of dislocation interactions with hydrogen show first an increase in the local dislocation velocity followed by a pinning of the dislocation core in the atmosphere, resulting in resistance to dislocation motion as the dislocation moves though the hydrogen-solute atmospheres. With this systematic, atomistic study of the edge dislocation with various point defects, we show significant increase in obstacle strengths in addition to an increase in the local dislocation velocity during interaction with solute atmospheres. The results have implications for constitutive development and modeling of the hydrogen effect on dislocation mobility and deformation in metals.« less

[Classification and Treatment of Sacroiliac Joint Dislocation].

PubMed

Tan, Zhen; Huang, Zhong; Li, Liang; Meng, Wei-Kun; Liu, Lei; Zhang, Hui; Wang, Guang-Lin; Huang, Fu-Guo

2017-09-01

To develop a renewed classification and treatment regimen for sacroiliac joint dislocation. According to the direction of dislocation of sacroiliac joint,combined iliac,sacral fractures,and fracture morphology,sacroiliac joint dislocation was classified into 4 types. Type Ⅰ (sacroiliac anterior dislocation): main fracture fragments of posterior iliac wing dislocated in front of sacroiliac joint. Type Ⅱ (sacroiliac posterior dislocation): main fracture fragments of posterior iliac wing dislocated in posterior of sacroiliac joint. Type Ⅲ (Crescent fracturedislocation of the sacroiliac joint): upward dislocation of posterior iliac wing with oblique fracture through posterior iliac wing. Type ⅢA: a large crescent fragment and dislocation comprises no more than onethird of sacroiliac joint,which is typically inferior. Type ⅢB: intermediatesize crescent fragment and dislocation comprises between one and twothirds of joint. Type ⅢC: a small crescent fragment where dislocation comprises most,but not the entire joint. Different treatment regimens were selected for different types of fractures. Treatment for type Ⅰ sacroiliac joint dislocation: anterior iliac fossa approach pry stripping reset; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅱ sacroiliac joint dislocation: posterior sacroiliac joint posterior approach; sacroiliac joint fixed with sacroiliac screw under computer guidance. Treatment for type ⅢA and ⅢB sacroiliac joint dislocation: posterior sacroiliac joint approach; sacroiliac joint fixed with reconstruction plate. Treatment for type ⅢC sacroiliac joint dislocation: sacroiliac joint closed reduction; sacroiliac joint fixed with sacroiliac screw through percutaneous. Treatment for type Ⅳ sacroiliac joint dislocation: posterior approach; sacroiliac joint fixed with spinal pelvic fixation. Results of 24 to 72 months patient follow-up (mean 34.5 months): 100% survival,100% wound healing,and 100% fracture healing. Two cases were identified as type Ⅰ sacroiliac joint dislocation,including one with coexistence of nerve injury. Patients recovered completely 12 months after surgery. Eight cases were identified as type Ⅱ sacroiliac joint dislocation; none had obvious nerve injury during treatments. Twelve cases were identified as type Ⅲ sacroiliac joint dislocation,including one with coexistence of nerve injury. Patients recovered completely 12 months after surgery. Three cases were identified as type Ⅳ sacroiliac joint dislocation with coexistence of nerve injury. Two patients fully recovered 12 months after surgery. One had partial recovery of neurological function. The classification and treatment regimen for sacroiliac joint dislocation have achieved better therapeutic effect,which is worth promoting.

Characterization of faulted dislocation loops and cavities in ion irradiated alloy 800H

NASA Astrophysics Data System (ADS)

Ulmer, Christopher J.; Motta, Arthur T.

2018-01-01

Alloy 800H is a high nickel austenitic stainless steel with good high temperature mechanical properties which is considered for use in current and advanced nuclear reactor designs. The irradiation response of 800H was examined by characterizing samples that had been bulk ion irradiated at the Michigan Ion Beam Laboratory with 5 MeV Fe2+ ions to 1, 10, and 20 dpa at 440 °C. Transmission electron microscopy was used to measure the size and density of both {111} faulted dislocation loops and cavities as functions of depth from the irradiated surface. The faulted loop density increased with dose from 1 dpa up to 10 dpa where it saturated and remained approximately the same until 20 dpa. The faulted loop average diameter decreased between 1 dpa and 10 dpa and again remained approximately constant from 10 dpa to 20 dpa. Cavities were observed after irradiation doses of 10 and 20 dpa, but not after 1 dpa. The average diameter of cavities increased with dose from 10 to 20 dpa, with a corresponding small decrease in density. Cavity denuded zones were observed near the irradiated surface and near the ion implantation peak. To further understand the microstructural evolution of this alloy, FIB lift-out samples from material irradiated in bulk to 1 and 10 dpa were re-irradiated in-situ in their thin-foil geometry with 1 MeV Kr2+ ions at 440 °C at the Intermediate Voltage Electron Microscope. It was observed that the cavities formed during bulk irradiation shrank under thin-foil irradiation in-situ while dislocation loops were observed to grow and incorporate into the dislocation network. The thin-foil geometry used for in-situ irradiation is believed to cause the cavities to shrink.

Impact of screw and edge dislocations on the thermal conductivity of individual nanowires and bulk GaN: a molecular dynamics study.

PubMed

Termentzidis, Konstantinos; Isaiev, Mykola; Salnikova, Anastasiia; Belabbas, Imad; Lacroix, David; Kioseoglou, Joseph

2018-02-14

We report the thermal transport properties of wurtzite GaN in the presence of dislocations using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration are analyzed and found to considerably reduce the thermal conductivity while impacting its temperature dependence in a different manner. Isolated screw dislocations reduce the thermal conductivity by a factor of two, while the influence of edge dislocations is less pronounced. The relative reduction of thermal conductivity is correlated with the strain energy of each of the five studied types of dislocations and the nature of the bonds around the dislocation core. The temperature dependence of the thermal conductivity follows a physical law described by a T -1 variation in combination with an exponent factor that depends on the material's nature, type and the structural characteristics of the dislocation core. Furthermore, the impact of the dislocation density on the thermal conductivity of bulk GaN is examined. The variation and absolute values of the total thermal conductivity as a function of the dislocation density are similar for defected systems with both screw and edge dislocations. Nevertheless, we reveal that the thermal conductivity tensors along the parallel and perpendicular directions to the dislocation lines are different. The discrepancy of the anisotropy of the thermal conductivity grows with increasing density of dislocations and it is more pronounced for the systems with edge dislocations. Besides the fundamental insights of the presented results, these could also be used for the identification of the type of dislocations when one experimentally obtains the evolution of thermal conductivity with temperature since each type of dislocation has a different signature, or one could extract the density of dislocations with a simple measurement of thermal anisotropy.

Deformation in the Yakataga seismic gap, Southern Alaska, 1980- 1986 ( USA).

USGS Publications Warehouse

Savage, J.C.; Lisowski, M.

1988-01-01

A 60-by-40-km trilateration network in the Yakataga seismic gap was surveyed in 1980, 1982, 1984, and 1986 with precise electro-optical distance-measuring equipment to measure strain accumulation. The overall deformation is roughly approximated by a 0.24+ or -0.03 mu strain/yr N32oW+ or -2.4o uniaxial contraction that is uniform in time. However, the spatial distribution of deformation shows some concentration of convergence in the neighbourhood of the Chugach-St. Elias fault and of right-lateral shear across the Contact fault. A simple dislocation model of the plate interaction in the Yakataga gap fits the observed deformation reasonably well but seems to require that the motion of the Pacific plate relative to the North American plate be directed more nearly N36oW than N15oW, the generally accepted direction of relative motion for this location. However, the direction of plate motion inferred from the dislocation model depends upon details of the interaction at the plate boundary that may not have been modeled accurately. A nearby but smaller trilateration network at Icy Bay was surveyed in 1982, 1984, and 1986. This network spans the SW corner of the rupture zone of the 1979 St. Elias earthquake. The deformation at Icy Bay consists of left-lateral shear across a NE trending zone. The relation of this deformation to strain accumulation in the Yakataga gap, postseismic relaxation associated with the 1979 earthquake, or rebound from the unloading associated with the rapid recession of the Guyot glacier is not understood.-Authors

3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model

NASA Astrophysics Data System (ADS)

Gao, Siwen; Fivel, Marc; Ma, Anxin; Hartmaier, Alexander

2017-05-01

A three-dimensional (3D) discrete dislocation dynamics (DDD) creep model is developed to investigate creep behavior under uniaxial tensile stress along the crystallographic [001] direction in Ni-base single crystal superalloys, which takes explicitly account of dislocation glide, climb and vacancy diffusion, but neglects phase transformation like rafting of γ‧ precipitates. The vacancy diffusion model takes internal stresses by dislocations and mismatch strains into account and it is coupled to the dislocation dynamics model in a numerically efficient way. This model is helpful for understanding the fundamental creep mechanisms in superalloys and clarifying the effects of dislocation glide and climb on creep deformation. In cases where the precipitate cutting rarely occurs, e.g. due to the high anti-phase boundary energy and the lack of superdislocations, the dislocation glide in the γ matrix and the dislocation climb along the γ/γ‧ interface dominate plastic deformation. The simulation results show that a high temperature or a high stress both promote dislocation motion and multiplication, so as to cause a large creep strain. Dislocation climb accelerated by high temperature only produces a small plastic strain, but relaxes the hardening caused by the filling γ channels and lets dislocations further glide and multiply. The strongest variation of vacancy concentration occurs in the horizontal channels, where more mixed dislocations exit and tend to climb. The increasing internal stresses due to the increasing dislocation density are easily overcome by dislocations under a high external stress that leads to a long-term dislocation glide accompanied by multiplication.

Recombination properties of dislocations in GaN

NASA Astrophysics Data System (ADS)

Yakimov, Eugene B.; Polyakov, Alexander Y.; Lee, In-Hwan; Pearton, Stephen J.

2018-04-01

The recombination activity of threading dislocations in n-GaN with different dislocation densities and different doping levels was studied using electron beam induced current (EBIC). The recombination velocity on a dislocation, also known as the dislocation recombination strength, was calculated. The results suggest that dislocations in n-GaN giving contrast in EBIC are charged and surrounded by a space charge region, as evidenced by the observed dependence of dislocation recombination strength on dopant concentration. For moderate (below ˜108 cm-2) dislocation densities, these defects do not primarily determine the average diffusion length of nonequilibrium charge carriers, although locally, dislocations are efficient recombination sites. In general, it is observed that the effect of the growth method [standard metalorganic chemical vapor deposition (MOCVD), epitaxial lateral overgrowth versions of MOCVD, and hydride vapor phase epitaxy] on the recombination activity of dislocations is not very pronounced, although the average diffusion lengths can widely differ for various samples. The glide of basal plane dislocations at room temperature promoted by low energy electron irradiation does not significantly change the recombination properties of dislocations.

Thermoelectric misfit-layered cobalt oxides with interlayers of hydroxide and peroxide species

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Ta-Lei; Lybeck, Jenni; Chan, Ting-Shan

Among the thermoelectric misfit-layered cobalt oxides, [M{sub m}A{sub 2}O{sub m+2}]{sub q}CoO{sub 2}, the parent m=0 phases exhibit divergent chemical features but are less understood than the more common m>0 members of the series. Here we synthesize Sr-for-Ca substituted [(Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2}]{sub q}CoO{sub 2} zero phases up to x=0.2 through low-temperature hydrothermal conversion of precursor powders of the m=1 misfit system, [Co(Ca{sub 1−x}Sr{sub x}){sub 2}O{sub 3}]{sub q}CoO{sub 2}. In the zero-phase [(Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2}]{sub q}CoO{sub 2} system, as the Sr content x increases the lattice expands anisotropically along the c axis such that the ab-plane dimension andmore » the misfit parameter q remain essentially constant. X-ray absorption spectroscopy data suggest the presence of peroxide-type oxygen species in the (Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2} rock-salt block and together with infrared spectroscopy, thermogravimetric and low-temperature resistivity and thermopower measurements evidence that the isovalent Sr-for-Ca substitution controls the balance between the peroxide and hydroxide species in the (Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2} block but leaves the valence of Co essentially intact in the CoO{sub 2} block. The higher electrical conductivity of the Sr-substituted phases is explained as a consequence of increased carrier mobility. - Graphical abstract: Among the thermoelectric misfit-layered cobalt oxides, [M{sub m}A{sub 2}O{sub m+2}]{sub q}CoO{sub 2}, the parent zero (m=0) phases exhibit divergent chemical features. For [(Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2}]{sub q}CoO{sub 2}, X-ray absorption spectroscopy data suggest the presence of peroxide-type oxygen species in the (Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2} rock-salt block and together with thermogravimetric and low-temperature transport-property measurements evidence that the isovalent Sr-for-Ca substitution controls the balance between the peroxide and hydroxide species in the (Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2} block but leaves the valence of Co essentially intact in the CoO{sub 2} block. - Highlights: • Parent m=0 [M{sub m}A{sub 2}O{sub m+2}]{sub q}CoO{sub 2} misfit-layer oxides exhibit divergent chemical features. • [(Ca,Sr){sub z}(O,OH){sub 2}]{sub q}CoO{sub 2} is found to contain both peroxide and hydroxide species. • Hydrothermal synthesis yields [(Ca{sub 1−x}Sr{sub x}){sub z}(O,OH){sub 2}]{sub q}CoO{sub 2} samples up to x=0.2. • With increasing x, the c axis expands but the misfit parameter q remains constant. • Co valence remains intact, but peroxide and hydroxide contents may be affected.« less

Modeling and 2-D discrete simulation of dislocation dynamics for plastic deformation of metal

NASA Astrophysics Data System (ADS)

Liu, Juan; Cui, Zhenshan; Ou, Hengan; Ruan, Liqun

2013-05-01

Two methods are employed in this paper to investigate the dislocation evolution during plastic deformation of metal. One method is dislocation dynamic simulation of two-dimensional discrete dislocation dynamics (2D-DDD), and the other is dislocation dynamics modeling by means of nonlinear analysis. As screw dislocation is prone to disappear by cross-slip, only edge dislocation is taken into account in simulation. First, an approach of 2D-DDD is used to graphically simulate and exhibit the collective motion of a large number of discrete dislocations. In the beginning, initial grains are generated in the simulation cells according to the mechanism of grain growth and the initial dislocation is randomly distributed in grains and relaxed under the internal stress. During the simulation process, the externally imposed stress, the long range stress contribution of all dislocations and the short range stress caused by the grain boundaries are calculated. Under the action of these forces, dislocations begin to glide, climb, multiply, annihilate and react with each other. Besides, thermal activation process is included. Through the simulation, the distribution of dislocation and the stress-strain curves can be obtained. On the other hand, based on the classic dislocation theory, the variation of the dislocation density with time is described by nonlinear differential equations. Finite difference method (FDM) is used to solve the built differential equations. The dislocation evolution at a constant strain rate is taken as an example to verify the rationality of the model.

Measuring the misfit between seismograms using an optimal transport distance: application to full waveform inversion

NASA Astrophysics Data System (ADS)

Métivier, L.; Brossier, R.; Mérigot, Q.; Oudet, E.; Virieux, J.

2016-04-01

Full waveform inversion using the conventional L2 distance to measure the misfit between seismograms is known to suffer from cycle skipping. An alternative strategy is proposed in this study, based on a measure of the misfit computed with an optimal transport distance. This measure allows to account for the lateral coherency of events within the seismograms, instead of considering each seismic trace independently, as is done generally in full waveform inversion. The computation of this optimal transport distance relies on a particular mathematical formulation allowing for the non-conservation of the total energy between seismograms. The numerical solution of the optimal transport problem is performed using proximal splitting techniques. Three synthetic case studies are investigated using this strategy: the Marmousi 2 model, the BP 2004 salt model, and the Chevron 2014 benchmark data. The results emphasize interesting properties of the optimal transport distance. The associated misfit function is less prone to cycle skipping. A workflow is designed to reconstruct accurately the salt structures in the BP 2004 model, starting from an initial model containing no information about these structures. A high-resolution P-wave velocity estimation is built from the Chevron 2014 benchmark data, following a frequency continuation strategy. This estimation explains accurately the data. Using the same workflow, full waveform inversion based on the L2 distance converges towards a local minimum. These results yield encouraging perspectives regarding the use of the optimal transport distance for full waveform inversion: the sensitivity to the accuracy of the initial model is reduced, the reconstruction of complex salt structure is made possible, the method is robust to noise, and the interpretation of seismic data dominated by reflections is enhanced.

Effect of bar cross-section geometry on stress distribution in overdenture-retaining system simulating horizontal misfit and bone loss.

PubMed

Spazzin, Aloísio Oro; Costa, Ana Rosa; Correr, Américo Bortolazzo; Consani, Rafael Leonardo Xediek; Correr-Sobrinho, Lourenço; dos Santos, Mateus Bertolini Fernandes

2013-08-09

This study evaluated the influence of cross-section geometry of the bar framework on the distribution of static stresses in an overdenture-retaining bar system simulating horizontal misfit and bone loss. Three-dimensional FE models were created including two titanium implants and three cross-section geometries (circular, ovoid or Hader) of bar framework placed in the anterior part of a severely resorbed jaw. One model with 1.4-mm vertical loss of the peri-implant tissue was also created. The models set were exported to mechanical simulation software, where horizontal displacement (10, 50 or 100 μm) was applied simulating the settling of the framework, which suffered shrinkage during the laboratory procedures. The bar material used for the bar framework was a cobalt--chromium alloy. For evaluation of bone loss effect, only the 50-μm horizontal misfit was simulated. Data were qualitatively and quantitatively evaluated using von Mises stress for the mechanical part and maximum principal stress and μ-strain for peri-implant bone tissue given by the software. Stresses were concentrated along the bar and in the join between the bar and cylinder. In the peri-implant bone tissue, the μ-strain was higher in the cervical third. Higher stress levels and μ-strain were found for the models using the Hader bar. The bone loss simulated presented considerable increase on maximum principal stresses and μ-strain in the peri-implant bone tissue. In addition, for the amplification of the horizontal misfit, the higher complexity of the bar cross-section geometry and bone loss increases the levels of static stresses in the peri-implant bone tissue. Copyright © 2013 Elsevier Ltd. All rights reserved.

Overdenture retaining bar stress distribution: a finite-element analysis.

PubMed

Caetano, Conrado Reinoldes; Mesquita, Marcelo Ferraz; Consani, Rafael Leonardo Xediek; Correr-Sobrinho, Lourenço; Dos Santos, Mateus Bertolini Fernandes

2015-05-01

Evaluate the stress distribution on the peri-implant bone tissue and prosthetic components of bar-clip retaining systems for overdentures presenting different implant inclinations, vertical misfit and framework material. Three-dimensional models of a jaw and an overdenture retained by two implants and a bar-clip attachment were modeled using specific software (SolidWorks 2010). The studied variables were: latero-lateral inclination of one implant (-10°, -5°, 0°, +5°, +10°); vertical misfit on the other implant (50, 100, 200 µm); and framework material (Au type IV, Ag-Pd, Ti cp, Co-Cr). Solid models were imported into mechanical simulation software (ANSYS Workbench 11). All nodes on the bone's external surface were constrained and a displacement was applied to simulate the settling of the framework on the ill-fitted component. Von Mises stress for the prosthetic components and maximum principal stress to the bone tissue were evaluated. The +10° inclination presented the worst biomechanical behavior, promoting the highest stress values on the bar framework and peri-implant bone tissue. The -5° group presented the lowest stress values on the prosthetic components and the lowest stress value on peri-implant bone tissue was observed in -10°. Increased vertical misfit caused an increase on the stress values in all evaluated structures. Stiffer framework materials caused a considerable stress increase in the framework itself, prosthetic screw of the fitted component and peri-implant bone tissue. Inclination of one implant associated with vertical misfit caused a relevant effect on the stress distribution in bar-clip retained overdentures. Different framework materials promoted increased levels of stress in all the evaluated structures.

Misfit and microleakage of implant-supported crown copings obtained by laser sintering and casting techniques, luted with glass-ionomer, resin cements and acrylic/urethane-based agents.

PubMed

Castillo-Oyagüe, Raquel; Lynch, Christopher D; Turrión, Andrés S; López-Lozano, José F; Torres-Lagares, Daniel; Suárez-García, María-Jesús

2013-01-01

This study evaluated the marginal misfit and microleakage of cement-retained implant-supported crown copings. Single crown structures were constructed with: (1) laser-sintered Co-Cr (LS); (2) vacuum-cast Co-Cr (CC) and (3) vacuum-cast Ni-Cr-Ti (CN). Samples of each alloy group were randomly luted in standard fashion onto machined titanium abutments using: (1) GC Fuji PLUS (FP); (2) Clearfil Esthetic Cement (CEC); (3) RelyX Unicem 2 Automix (RXU) and (4) DentoTemp (DT) (n=15 each). After 60 days of water ageing, vertical discrepancy was SEM-measured and cement microleakage was scored using a digital microscope. Misfit data were subjected to two-way ANOVA and Student-Newman-Keuls multiple comparisons tests. Kruskal-Wallis and Dunn's tests were run for microleakage analysis (α=0.05). Regardless of the cement type, LS samples exhibited the best fit, whilst CC and CN performed equally well. Despite the framework alloy and manufacturing technique, FP and DT provide comparably better fit and greater microleakage scores than did CEC and RXU, which showed no differences. DMLS of Co-Cr may be a reliable alternative to the casting of base metal alloys to obtain well-fitted implant-supported crowns, although all the groups tested were within the clinically acceptable range of vertical discrepancy. No strong correlations were found between misfit and microleakage. Notwithstanding the framework alloy, definitive resin-modified glass-ionomer (FP) and temporary acrylic/urethane-based (DT) cements demonstrated comparably better marginal fit and greater microleakage scores than did 10-methacryloxydecyl-dihydrogen phosphate-based (CEC) and self-adhesive (RXU) dual-cure resin agents. Copyright © 2012 Elsevier Ltd. All rights reserved.

Modal analysis of dislocation vibration and reaction attempt frequency

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-02-04

Transition state theory is a fundamental approach for temporal coarse-graining. It estimates the reaction rate for a transition processes by quantifying the activation free energy and attempt frequency for the unit process. To calculate the transition rate of a gliding dislocation, the attempt frequency is often obtained from line tension estimates of dislocation vibrations, a highly simplified model of dislocation behavior. This work revisits the calculation of attempt frequency for a dislocation bypassing an obstacle, in this case a self-interstitial atom (SIA) loop. First, a direct calculation of the vibrational characteristics of a finite pinned dislocation segment is compared tomore » line tension estimates before moving to the more complex case of dislocation-obstacle bypass. The entropic factor associated with the attempt frequency is calculated for a finite dislocation segment and for an infinite glide dislocation interacting with an SIA loop. Lastly, it is found to be dislocation length independent for three cases of dislocation-self interstitial atom (SIA) loop interactions.« less

Dynamics of threading dislocations in porous heteroepitaxial GaN films

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Rzhavtsev, E. A.

2017-12-01

Behavior of threading dislocations in porous heteroepitaxial gallium nitride (GaN) films has been studied using computer simulation by the two-dimensional discrete dislocation dynamics approach. A computational scheme, where pores are modeled as cross sections of cylindrical cavities, elastically interacting with unidirectional parallel edge dislocations, which imitate threading dislocations, is used. Time dependences of coordinates and velocities of each dislocation from dislocation ensembles under investigation are obtained. Visualization of current structure of dislocation ensemble is performed in the form of a location map of dislocations at any time. It has been shown that the density of appearing dislocation structures significantly depends on the ratio of area of a pore cross section to area of the simulation region. In particular, increasing the portion of pores surface on the layer surface up to 2% should lead to about a 1.5-times decrease of the final density of threading dislocations, and increase of this portion up to 15% should lead to approximately a 4.5-times decrease of it.

Theory, modeling, and simulation of structural and functional materials: Micromechanics, microstructures, and properties

NASA Astrophysics Data System (ADS)

Jin, Yongmei

In recent years, theoretical modeling and computational simulation of microstructure evolution and materials property has been attracting much attention. While significant advances have been made, two major challenges remain. One is the integration of multiple physical phenomena for simulation of complex materials behavior, the other is the bridging over multiple length and time scales in materials modeling and simulation. The research presented in this Thesis is focused mainly on tackling the first major challenge. In this Thesis, a unified Phase Field Microelasticity (PFM) approach is developed. This approach is an advanced version of the phase field method that takes into account the exact elasticity of arbitrarily anisotropic, elastically and structurally inhomogeneous systems. The proposed theory and models are applicable to infinite solids, elastic half-space, and finite bodies with arbitrary-shaped free surfaces, which may undergo various concomitant physical processes. The Phase Field Microelasticity approach is employed to formulate the theories and models of martensitic transformation, dislocation dynamics, and crack evolution in single crystal and polycrystalline solids. It is also used to study strain relaxation in heteroepitaxial thin films through misfit dislocation and surface roughening. Magnetic domain evolution in nanocrystalline thin films is also investigated. Numerous simulation studies are performed. Comparison with analytical predictions and experimental observations are presented. Agreement verities the theory and models as realistic simulation tools for computational materials science and engineering. The same Phase Field Microelasticity formalism of individual models of different physical phenomena makes it easy to integrate multiple physical processes into one unified simulation model, where multiple phenomena are treated as various relaxation modes that together act as one common cooperative phenomenon. The model does not impose a priori constraints on possible microstructure evolution paths. This gives the model predicting power, where material system itself "chooses" the optimal path for multiple processes. The advances made in this Thesis present a significant step forward to overcome the first challenge, mesoscale multi-physics modeling and simulation of materials. At the end of this Thesis, the way to tackle the second challenge, bridging over multiple length and time scales in materials modeling and simulation, is discussed based on connection between the mesoscale Phase Field Microelasticity modeling and microscopic atomistic calculation as well as macroscopic continuum theory.

Quantum dot formation by molecular beam epitaxy of Ge on Si(100)

NASA Astrophysics Data System (ADS)

Chaparro, Sergio Arturo

1999-11-01

A new technique for producing electron systems with quantum confinement in three dimensions, quantum dots, has been studied. These quantum dots are coherent islands spontaneously formed at the early stages of Ge/Si(100) epitaxy due to the misfit of the system. Our goal is to gain understanding and control of the growth process so uniform quantum dot ensembles can be created for possible use in optoelectronic devices. A UHV Molecular Beam Epitaxy (MBE) growth system was built and calibrated to grow our samples. The samples were prepared by depositing Ge onto a Si(100) surface cleaned by flash desorption of the native oxides. Varying the growth rates from 0.6 ML/min to 4.0 ML/min, the substrate temperature from 450°C to 600°C, and the coverage from 3.5 ML to 14 ML produces different sample morphologies. After growth, the samples were analyzed both in situ and ex situ. The in situ analysis consisted of Auger electron spectroscopy for elemental analysis and reflection high energy electron diffraction, for surface structure analysis. The ex situ analysis included atomic force microscopy (AFM), transmission electron microscopy (TEM) and/or scanning electron microscopy (SEM). Many digital images were obtained from the microscope analysis. A novel, computer based, analysis was developed to extract the islands parameters from the microscope images. This data, which includes island area and average height for each island on every image, was used for a statistical analysis. Also from the data, island size distributions (histograms of island size) were generated. These measurements confirm that islands form after growth of a 3 ML wetting layer and that islands evolve as they grow. As more Ge is deposited these islands grow and as they grow they evolve from huts, square based pyramids, to domes, truncated pyramids, to dislocated domes. Our results show that the substrate temperature, deposition rate, and amount of deposited material are factors that affect the growth evolution. Higher growth temperature affects the size at which islands evolve from one type of island to another, also introduces new strain release mechanisms such as alloying and trench formation that compete with dislocation formation. Finally a detailed morphological characterization of the observed islands was done.

Density of bunched threading dislocations in epitaxial GaN layers as determined using X-ray diffraction

NASA Astrophysics Data System (ADS)

Barchuk, M.; Holý, V.; Rafaja, D.

2018-04-01

X-ray diffraction is one of the most popular experimental methods employed for determination of dislocation densities, as it can recognize both the strain fields and the local lattice rotations produced by dislocations. The main challenge of the quantitative analysis of the dislocation density is the formulation of a suitable microstructure model, which describes the dislocation arrangement and the effect of the interactions between the strain fields from neighboring dislocations reliably in order to be able to determine the dislocation densities precisely. The aim of this study is to prove the capability of X-ray diffraction and two computational methods, which are frequently used for quantification of the threading dislocation densities from X-ray diffraction measurements, in the special case of partially bunched threading dislocations. The first method is based on the analysis of the dislocation-controlled crystal mosaicity, and the other one on the analysis of diffuse X-ray scattering from threading dislocations. The complementarity of both methods is discussed. Furthermore, it is shown how the complementarity of these methods can be used to improve the results of the quantitative analysis of bunched and thus inhomogeneously distributed threading dislocations and to get a better insight into the dislocation arrangement.

Interaction of 〈1 0 0〉 dislocation loops with dislocations studied by dislocation dynamics in α-iron

NASA Astrophysics Data System (ADS)

Shi, X. J.; Dupuy, L.; Devincre, B.; Terentyev, D.; Vincent, L.

2015-05-01

Interstitial dislocation loops with Burgers vector of 〈1 0 0〉 type are formed in α-iron under neutron or heavy ion irradiation. As the density and size of these loops increase with radiation dose and temperature, these defects are thought to play a key role in hardening and subsequent embrittlement of iron-based steels. The aim of the present work is to study the pinning strength of the loops on mobile dislocations. Prior to run massive Dislocation Dynamics (DD) simulations involving experimentally representative array of radiation defects and dislocations, the DD code and its parameterization are validated by comparing the individual loop-dislocation reactions with those obtained from direct atomistic Molecular Dynamics (MD) simulations. Several loop-dislocation reaction mechanisms are successfully reproduced as well as the values of the unpinning stress to detach mobile dislocations from the defects.

Strength of Dislocation Junctions in FCC-monocrystals with a [\\overline{1}11] Deformation Axis

NASA Astrophysics Data System (ADS)

Kurinnaya, R. I.; Zgolich, M. V.; Starenchenko, V. A.

2017-07-01

The paper examines all dislocation reactions implemented in FCC-monocrystals with axis deformation oriented in the [\\overline{1}11] direction. It identifies the fracture stresses of dislocation junctions depending on intersection geometry of the reacting dislocation loop segments. Estimates are produced for the full spectrum of reacting forest dislocations. The paper presents the statistical data of the research performed and identifies the share of long strong dislocation junctions capable of limiting the zone of dislocation shift.

Tailoring Superconductivity with Quantum Dislocations.

PubMed

Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

2017-08-09

Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

On damping of screw dislocation bending vibrations in dissipative crystal: limiting cases

NASA Astrophysics Data System (ADS)

Dezhin, V. V.

2018-03-01

The expression for the generalized susceptibility of the dislocation obtained earlier was used. The electronic drag mechanism of dislocations is considered. The study of small dislocation oscillations was limited. The contribution of the attenuation of low-frequency bending screw dislocation vibrations to the overall coefficient of dynamic dislocation drag in the long-wave and short-wave limits is calculated. The damping of short-wave bending screw dislocation vibrations caused by an external action of an arbitrary frequency has been investigated. The contribution of long-wave bending screw dislocation vibrations damping in the total drag coefficient at an arbitrary frequency is found.

Automated identification and indexing of dislocations in crystal interfaces

DOE PAGES

Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios

2012-10-31

Here, we present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. Additionally, the algorithm generates a continuous line representation of each dislocation segment in the crystal andmore » also identifies dislocation junctions.« less

Strain engineered barium strontium titanate for tunable thin film resonators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khassaf, H.; Khakpash, N.; Sun, F.

2014-05-19

Piezoelectric properties of epitaxial (001) barium strontium titanate (BST) films are computed as functions of composition, misfit strain, and temperature using a non-linear thermodynamic model. Results show that through adjusting in-plane strains, a highly adaptive rhombohedral ferroelectric phase can be stabilized at room temperature with outstanding piezoelectric response exceeding those of lead based piezoceramics. Furthermore, by adjusting the composition and the in-plane misfit, an electrically tunable piezoelectric response can be obtained in the paraelectric state. These findings indicate that strain engineered BST films can be utilized in the development of electrically tunable and switchable surface and bulk acoustic wave resonators.

Shape and Composition Map of a Prepyramid Quantum Dot

NASA Astrophysics Data System (ADS)

Spencer, Brian

2006-03-01

We present a theory for the shape, size, and nonuniform composition profile of a small prepyramid island in an alloy epitaxial film when surface diffusion is much faster than deposition and bulk diffusion. The predicted composition profile has segregation of the larger misfit component to the island peak, with segregation enhanced by misfit strain and solute strain but retarded by alloy solution thermodynamics. Vertical composition gradients through the center of the island due to this mechanism are on the order of 2%/nm for GeXSi1-X/Si and 10 - 15%/nm for InXGaAs1-X/GaAs [PRL 95, 206101 (2005)].

Wavefield reconstruction inversion with a multiplicative cost function

NASA Astrophysics Data System (ADS)

da Silva, Nuno V.; Yao, Gang

2018-01-01

We present a method for the automatic estimation of the trade-off parameter in the context of wavefield reconstruction inversion (WRI). WRI formulates the inverse problem as an optimisation problem, minimising the data misfit while penalising with a wave equation constraining term. The trade-off between the two terms is balanced by a scaling factor that balances the contributions of the data-misfit term and the constraining term to the value of the objective function. If this parameter is too large then it implies penalizing for the wave equation imposing a hard constraint in the inversion. If it is too small, then this leads to a poorly constrained solution as it is essentially penalizing for the data misfit and not taking into account the physics that explains the data. This paper introduces a new approach for the formulation of WRI recasting its formulation into a multiplicative cost function. We demonstrate that the proposed method outperforms the additive cost function when the trade-off parameter is appropriately scaled in the latter, when adapting it throughout the iterations, and when the data is contaminated with Gaussian random noise. Thus this work contributes with a framework for a more automated application of WRI.

Minority acculturation and peer rejection: Costs of acculturation misfit with peer-group norms.

PubMed

Celeste, Laura; Meeussen, Loes; Verschueren, Karine; Phalet, Karen

2016-09-01

How do minority adolescents' personal acculturation preferences and peer norms of acculturation affect their social inclusion in school? Turkish and Moroccan minority adolescents (N = 681) reported their preferences for heritage culture maintenance, mainstream culture adoption, and their experiences of peer rejection as a key indicator of adjustment problems. Additionally, we aggregated peer acculturation norms of maintenance and adoption within ethnically diverse classrooms (N = 230 in 50 Belgian schools), distinguishing between co-ethnic (Turkish or Moroccan classmates only, N = 681) and cross-ethnic norms (also including N = 1,930 other classmates). Cross-ethnic peer-group norms (of adoption and maintenance) and co-ethnic norms (of maintenance, marginally) predicted minority experiences of peer rejection (controlling for ethnic composition). Moreover, misfit of minorities' own acculturation preferences with both cross-ethnic and co-ethnic peer-group norms was harmful. When cross-ethnic norms stressed adoption, 'integrationist' minority youth - who combined culture adoption with maintenance - experienced most peer rejection. Yet, when co-ethnic peers stressed maintenance, 'assimilationist' minority youth experienced most rejection. In conclusion, acculturation misfit with peer-group norms is a risk factor for minority inclusion in ethnically diverse environments. © 2016 The British Psychological Society.

Characterization of oxide nanoparticles in Al-free and Al-containing oxide dispersion strengthened ferritic steels.

PubMed

Lee, Jae Hoon; Kim, Jeoung Han

2013-09-01

Oxide nanoparticles in oxide dispersion strengthened (ODS) ferritic steels with and without Al have been characterized by transmission electron microscopy. It is confirmed that most of the complex oxide particles consist of Y2TiO5 for 18Cr-ODS steel and YAlO3 or YAl5O12 for 18Cr5Al-ODS steel, respectivley. The addition of 5% Al in 18Cr-ODS steel leads to the formation of larger oxide particles and the reduction in their number density. For 18Cr-ODS steel, 87% of the oxide particles are coherent. The misfit strain of the coherent particles and a few semi-coherent particles is about 0.034 and 0.056, respectively. For 18Cr5Al-ODS steel, 75% of the oxide particles are semi-coherent, of which the misfit strain is 0.091 and 0.125, respectively. These results suggest that for the Al-containing ODS steel the Al addition accelerates the formation of semi-coherent oxide particles and its larger coherent and semi-coherent particles result in the larger misfit strain between the oxide particle and alloy matrix, indicating that the coherence of oxide nanoparticles in ODS steels is size-dependent.

TEM study of the (SbS){sub 1+δ}(NbS{sub 2}){sub n}, (n=1, 2, 3; δ~1.14, 1.20) misfit layer phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gómez-Herrero, A., E-mail: adriangh@pdi.ucm.es; Landa-Cánovas, A.R.; Otero-Díaz, L.C.

In the Sb–Nb–S system four new misfit layer phases have been found and carefully investigated via Transmission Electron Microscopy (TEM). Their structures are of composite modulated structure type with stoichiometries that can be formulated as (SbS){sub 1+δ}(NbS{sub 2}){sub n}; for n=1, δ~1.14 and 1.19; for n=2, δ~1.18 and for n=3, δ~1.19. Selected Area Electron Diffraction (SAED) patterns show an almost commensurate fit between the pseudo-tetragonal (SbS) and the pseudo-orthohexagonal (NbS{sub 2}){sub n} subcells along the misfit direction a, with 3(SbS)≈5(NbS{sub 2}), being b the same for both sub-lattices and c the stacking direction. For n=1, a commensurate phase with 4a{submore » SbS}=7a{sub NbS2} has also been observed. In addition to the characteristic misfit and associated modulation of the two sub-structures, a second modulation is also present which appears to be primarily associated with the (SbS) sub-structure of both the n=1 and n=2 phases. High Resolution Transmission Electron Microscopy (HRTEM) images show ordered stacking sequences between the (SbS) and (NbS{sub 2}){sub n} lamellae for each of the four phases, however, disordered intergrowths were also occasionally found. Most of the crystals showed different kinds of twinning defects on quite a fine scale. Many crystals showed curled up edges. In some cases the lamellar crystals were entirely folded giving rise to similar diffraction patterns as found for cylindrical crystals. - Graphical abstract: Idealized structure models of the first three members of the homologous series (SbS){sub 1+δ}(NbS{sub 2}){sub n}. - Highlights: • Transmission Electron Microscopy study of misfit layer sulfides (SbS){sub 1+δ}(NbS{sub 2}){sub n}. • The structures consist of a (SbS) layer interleaved between n (NbS{sub 2}) layers. • Two different members n=1, one n=2 and one n=3 have been studied. • Twinning, intergrowths and different modulations in the (SbS) substructure.« less

The new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} and the role of dimensionality in the Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} series

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trump, Benjamin A., E-mail: btrump1@jhu.edu; Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218; Livi, Kenneth J.T.

The synthesis and physical properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} are reported. Transmission electron microscopy and powder X-ray diffraction show that the structure consists of alternating rock-salt type BiSe layers and hexagonal (TiSe{sub 2}){sub 2} double layers. Resistivity, specific heat, and magnetization measurements show that it has metallic and diamagnetic behaviors. These results are interpreted and discussed in the context of the transition between single-layer (BiSe){sub 1.13}(TiSe{sub 2}), which shows no charge density wave, and infinite-layered (bulk) 1T-TiSe{sub 2}, which undergoes a charge density wave transition at T=202 K. Intercalation with copper, Cu{sub x}(BiSe){sub 1.15}(TiSe{sub 2}){submore » 2}, (0≤x≤0.10) is also reported, but unlike Cu{sub x}TiSe{sub 2}, no superconductivity is observed down to T=0.05 K. Thus, the series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} provides an effective approach to elucidate the impact of dimensionality on charge density wave formation and superconductivity. - Graphical abstract: The newly discovered misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} shown in the series (BiSe){sub 1+δ}(TiSe{sub 2}){sub n}. Display Omitted - Highlights: • Reports the structure and properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2}. • The structure consists of a rock salt type BiSe layer and a double (TiSe{sub 2}){sub 2} layer. • The n=1, 2 misfits (BiSe){sub 1+δ}(TiSe{sub 2}){sub n} are found not to exhibit CDW transitions. • Evidence is presented that there is likely a low-lying CDW excited state. • The series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub 2} does not superconduct, unlike Cu{sub x}TiSe{sub 2}.« less

Using Adjoint Methods to Improve 3-D Velocity Models of Southern California

NASA Astrophysics Data System (ADS)

Liu, Q.; Tape, C.; Maggi, A.; Tromp, J.

2006-12-01

We use adjoint methods popular in climate and ocean dynamics to calculate Fréchet derivatives for tomographic inversions in southern California. The Fréchet derivative of an objective function χ(m), where m denotes the Earth model, may be written in the generic form δχ=int Km(x) δln m(x) d3x, where δln m=δ m/m denotes the relative model perturbation. For illustrative purposes, we construct the 3-D finite-frequency banana-doughnut kernel Km, corresponding to the misfit of a single traveltime measurement, by simultaneously computing the 'adjoint' wave field s† forward in time and reconstructing the regular wave field s backward in time. The adjoint wave field is produced by using the time-reversed velocity at the receiver as a fictitious source, while the regular wave field is reconstructed on the fly by propagating the last frame of the wave field saved by a previous forward simulation backward in time. The approach is based upon the spectral-element method, and only two simulations are needed to produce density, shear-wave, and compressional-wave sensitivity kernels. This method is applied to the SCEC southern California velocity model. Various density, shear-wave, and compressional-wave sensitivity kernels are presented for different phases in the seismograms. We also generate 'event' kernels for Pnl, S and surface waves, which are the Fréchet kernels of misfit functions that measure the P, S or surface wave traveltime residuals at all the receivers simultaneously for one particular event. Effectively, an event kernel is a sum of weighted Fréchet kernels, with weights determined by the associated traveltime anomalies. By the nature of the 3-D simulation, every event kernel is also computed based upon just two simulations, i.e., its construction costs the same amount of computation time as an individual banana-doughnut kernel. One can think of the sum of the event kernels for all available earthquakes, called the 'misfit' kernel, as a graphical representation of the gradient of the misfit function. With the capability of computing both the value of the misfit function and its gradient, which assimilates the traveltime anomalies, we are ready to use a non-linear conjugate gradient algorithm to iteratively improve velocity models of southern California.

Dislocation dynamics simulations of interactions between gliding dislocations and radiation induced prismatic loops in zirconium

NASA Astrophysics Data System (ADS)

Drouet, Julie; Dupuy, Laurent; Onimus, Fabien; Mompiou, Frédéric; Perusin, Simon; Ambard, Antoine

2014-06-01

The mechanical behavior of Pressurized Water Reactor fuel cladding tubes made of zirconium alloys is strongly affected by neutron irradiation due to the high density of radiation induced dislocation loops. In order to investigate the interaction mechanisms between gliding dislocations and loops in zirconium, a new nodal dislocation dynamics code, adapted to Hexagonal Close Packed metals, has been used. Various configurations have been systematically computed considering different glide planes, basal or prismatic, and different characters, edge or screw, for gliding dislocations with -type Burgers vectors. Simulations show various interaction mechanisms such as (i) absorption of a loop on an edge dislocation leading to the formation of a double super-jog, (ii) creation of a helical turn, on a screw dislocation, that acts as a strong pinning point or (iii) sweeping of a loop by a gliding dislocation. It is shown that the clearing of loops is more favorable when the dislocation glides in the basal plane than in the prismatic plane explaining the easy dislocation channeling in the basal plane observed after neutron irradiation by transmission electron microscopy.

Probing the character of ultra-fast dislocations

DOE PAGES

Rudd, R. E.; Ruestes, C. J.; Bringa, E. M.; ...

2015-11-23

Plasticity is often controlled by dislocation motion, which was first measured for low pressure, low strain rate conditions decades ago. However, many applications require knowledge of dislocation motion at high stress conditions where the data are sparse, and come from indirect measurements dominated by the effect of dislocation density rather than velocity. Here we make predictions based on atomistic simulations that form the basis for a new approach to measure dislocation velocities directly at extreme conditions using three steps: create prismatic dislocation loops in a near-surface region using nanoindentation, drive the dislocations with a shockwave, and use electron microscopy tomore » determine how far the dislocations moved and thus their velocity at extreme stress and strain rate conditions. We report on atomistic simulations of tantalum that make detailed predictions of dislocation flow, and find that the approach is feasible and can uncover an exciting range of phenomena, such as transonic dislocations and a novel form of loop stretching. Furthermore, the simulated configuration enables a new class of experiments to probe average dislocation velocity at very high applied shear stress.« less

Three-dimensional formulation of dislocation climb

NASA Astrophysics Data System (ADS)

Gu, Yejun; Xiang, Yang; Quek, Siu Sin; Srolovitz, David J.

2015-10-01

We derive a Green's function formulation for the climb of curved dislocations and multiple dislocations in three-dimensions. In this new dislocation climb formulation, the dislocation climb velocity is determined from the Peach-Koehler force on dislocations through vacancy diffusion in a non-local manner. The long-range contribution to the dislocation climb velocity is associated with vacancy diffusion rather than from the climb component of the well-known, long-range elastic effects captured in the Peach-Koehler force. Both long-range effects are important in determining the climb velocity of dislocations. Analytical and numerical examples show that the widely used local climb formula, based on straight infinite dislocations, is not generally applicable, except for a small set of special cases. We also present a numerical discretization method of this Green's function formulation appropriate for implementation in discrete dislocation dynamics (DDD) simulations. In DDD implementations, the long-range Peach-Koehler force is calculated as is commonly done, then a linear system is solved for the climb velocity using these forces. This is also done within the same order of computational cost as existing discrete dislocation dynamics methods.

Ultrasonic influence on evolution of disordered dislocation structures

NASA Astrophysics Data System (ADS)

Bachurin, D. V.; Murzaev, R. T.; Nazarov, A. A.

2017-12-01

Evolution of disordered dislocation structures under ultrasonic influence is studied in a model two-dimensional grain within the discrete-dislocation approach. Non-equilibrium grain boundary state is mimicked by a mesodefect located at the corners of the grain, stress field of which is described by that of a wedge junction disclination quadrupole. Significant rearrangement related to gliding of lattice dislocations towards the grain boundaries is found, which results in a noticeable reduction of internal stress fields and cancel of disclination quadrupole. The process of dislocation structure evolution passes through two stages: rapid and slow. The main dislocation rearrangement occurs during the first stage. Reduction of internal stress fields is associated with the number of dislocations entered into the grain boundaries. The change of misorientation angle due to lattice dislocations absorbed by the grain boundaries is evaluated. Amplitude of ultrasonic treatment significantly influences the relaxation of dislocation structure. Preliminary elastic relaxation of dislocation structure does not affect substantially the results of the following ultrasonic treatment. Substantial grain size dependence of relaxation of disordered dislocation systems is found. Simulation results are consistent with experimental data.

Hydrogen diffusion in the elastic fields of dislocations in iron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sivak, A. B., E-mail: Sivak-AB@nrcki.ru; Sivak, P. A.; Romanov, V. A.

2016-12-15

The effect of dislocation stress fields on the sink efficiency thereof is studied for hydrogen interstitial atoms at temperatures of 293 and 600 K and at a dislocation density of 3 × 10{sup 14} m{sup –2} in bcc iron crystal. Rectilinear full screw and edge dislocations in basic slip systems 〈111〉(110), 〈111〉(112), 〈100〉(100), and 〈100〉(110) are considered. Diffusion of defects is simulated by means of the object kinetic Monte Carlo method. The energy of interaction between defects and dislocations is calculated using the anisotropic theory of elasticity. The elastic fields of dislocations result in a less than 25% change ofmore » the sink efficiency as compared to the noninteracting linear sink efficiency at a room temperature. The elastic fields of edge dislocations increase the dislocation sink efficiency, whereas the elastic fields of screw dislocations either decrease this parameter (in the case of dislocations with the Burgers vector being 1/2〈111〉) or do not affect it (in the case of dislocations with the Burgers vector being 〈100〉). At temperatures above 600 K, the dislocations affect the behavior of hydrogen in bcc iron mainly owing to a high binding energy between the hydrogen atom and dislocation cores.« less

Initial dislocation structure and dynamic dislocation multiplication in Mo single crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsiung, L M; Lassila, D H

Initial dislocation structure in annealed high-purity Mo single crystals and deformation substructure in a crystal subjected to 1% compression have been examined and studied in order to investigate dislocation multiplication mechanisms in the early stages of plastic deformation. The initial dislocation density is in a range of 10{sup 6} {approx} 10{sup 7} cm{sup -2}, and the dislocation structure is found to contain many grown-in superjogs along dislocation lines. The dislocation density increases to a range of 10{sup 8} {approx} 10{sup 9} cm{sup -2}, and the average jog height is also found to increase after compressing for a total strain ofmore » 1%. It is proposed that the preexisting jogged screw dislocations can act as (multiple) dislocation multiplication sources when deformed under quasi-static conditions. Both the jog height and length of link segment (between jogs) can increase by stress-induced jog coalescence, which takes place via the lateral migration (drift) of superjogs driven by unbalanced line-tension partials acting on link segments of unequal lengths. Applied shear stress begins to push each link segment to precede dislocation multiplication when link length and jog height are greater than critical lengths. This dynamic dislocation multiplication source is subsequently verified by direct simulations of dislocation dynamics under stress to be crucial in the early stages of plastic deformation in Mo single crystals.« less

Phase Transformation and Creep of Mg-Al-Ca Based Die-Cast Alloys

NASA Astrophysics Data System (ADS)

Suzuki, Akane; Saddock, Nicholas D.; Jones, J. Wayne; Pollock, Tresa M.

The microstructure and microstructural stability of die-cast AC53 (Mg-5Al-3Ca) and AXJ530 (Mg-5Al-3Ca-0.15Sr) have been investigated in detail by transmission electron microscopy (TEM). Both alloys have an as-cast microstructure of α-Mg with (Mg, Al)2Ca (dihexagonal C36) eutectic at grain boundaries. During aging at 573 K, the C36 phase transforms to Al2Ca (cubic Cl5) phase. These two phases have a crystallographic orientation relationship of (0001)C36//{111}C15 and [2110]C36//[011]C15, and the transformation from C36 to C15 occurs by a shear-assisted process. Despite this change in the phase constitution, the network structure of the intermetallic compound(s) surrounding α-Mg grains is fairly stable, morphologically, even after prolonged exposure at elevated temperature. In the α-Mg matrix phase, precipitation of Al2Ca was observed after aging for 360 ks at 573 K. The precipitates are disc-shaped with a habit plane of {111}C15//(0001)α. AXJ530 shows higher creep resistance than AC53. The dislocation substructure that evolved during creep deformation was investigated in both alloys, and the basal and non-basal slip of a-dislocation and other slip modes of a+c- dislocations were observed. The relationship between creep properties and microstructure is discussed.

Dislocation-mediated trapping of deuterium in tungsten under high-flux high-temperature exposures

NASA Astrophysics Data System (ADS)

Bakaeva, A.; Terentyev, D.; De Temmerman, G.; Lambrinou, K.; Morgan, T. W.; Dubinko, A.; Grigorev, P.; Verbeken, K.; Noterdaeme, J. M.

2016-10-01

The effect of severe plastic deformation on the deuterium retention in tungsten exposed to high-flux low-energy plasma (flux ∼1024 m-2 s-1, energy ∼50 eV and fluence up to 5 × 1025 D/m2) was studied experimentally in a wide temperature range (460-1000 K) relevant for application in ITER. The desorption spectra in both reference and plastically-deformed samples were deconvoluted into three contributions associated with the detrapping from dislocations, deuterium-vacancy clusters and pores. As the exposure temperature increases, the positions of the release peaks in the plastically-deformed material remain in the same temperature range but the peak amplitudes are altered as compared to the reference material. The desorption peak attributed to the release from pores (i.e. cavities and bubbles) was suppressed in the plastically deformed samples for the low-temperature exposures, but became dominant for exposures above 700 K. The observed strong modulation of the deuterium storage in "shallow" and "deep" traps, as well as the reduction of the integral retention above 700 K, suggest that the dislocation network changes its role from "trapping sites" to "diffusion channels" above a certain temperature. The major experimental observations of the present work are in line with recent computational assessment based on atomistic and mean field theory calculations available in literature.

Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takeuchi, S., E-mail: takeuchi@ee.es.osaka-u.ac.jp; Asazu, H.; Nakamura, Y.

2015-12-28

We have demonstrated a GaN growth technique in the Na flux method to confine c-, (a+c)-, and a-type dislocations around the interface between a Na flux GaN crystal and a GaN layer grown by metalorganic chemical vapor deposition (MOCVD) on a (0001) sapphire substrate. Transmission electron microscopy (TEM) clearly revealed detailed interface structures and dislocation behaviors that reduced the density of vertically aligned dislocations threading to the Na flux GaN surface. Submicron-scale voids were formed at the interface above the dislocations with a c component in MOCVD-GaN, while no such voids were formed above the a-type dislocations. The penetration ofmore » the dislocations with a c component into Na flux GaN was, in most cases, effectively blocked by the presence of the voids. Although some dislocations with a c component in the MOCVD-GaN penetrated into the Na flux GaN, their propagation direction changed laterally through the voids. On the other hand, the a-type dislocations propagated laterally and collectively near the interface, when these dislocations in the MOCVD-GaN penetrated into the Na flux GaN. These results indicated that the dislocation propagation behavior was highly sensitive to the type of dislocation, but all types of dislocations were confined to within several micrometers region of the Na flux GaN from the interface. The cause of void formation, the role of voids in controlling the dislocation behavior, and the mechanism of lateral and collective dislocation propagation are discussed on the basis of TEM results.« less

Dislocation density evolution in the process of high-temperature treatment and creep of EK-181 steel

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vershinina, Tatyana, E-mail: vershinina@bsu.edu.ru

2017-03-15

X-ray diffraction has been used to study the dislocation structure in ferrite-martensite high-chromium steel EK-181 in the states after heat treatment and high-temperature creep. The influence of heat treatment and stress on evolution of lath martensite structure was investigated by and electron back-scattered diffraction. The effect of nitrogen content on the total dislocation density, fraction of edge and screw dislocation segments are analyzed. - Highlights: •Fraction of edge dislocation in quenched state depends on nitrogen concentration. •Nitrogen affects the character of dislocation structure evolution during annealing. •Edge dislocations fraction influences on dislocation density after aging and creep.

Supersonic Dislocation Bursts in Silicon

DOE PAGES

Hahn, E. N.; Zhao, S.; Bringa, E. M.; ...

2016-06-06

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Supersonic Dislocation Bursts in Silicon

PubMed Central

Hahn, E. N.; Zhao, S.; Bringa, E. M.; Meyers, M. A.

2016-01-01

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolution we successfully predict a dislocation density of 1.5 × 1012 cm−2 within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon. PMID:27264746

Supersonic Dislocation Bursts in Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hahn, E. N.; Zhao, S.; Bringa, E. M.

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Atomistic calculations of dislocation core energy in aluminium

DOE PAGES

Zhou, X. W.; Sills, R. B.; Ward, D. K.; ...

2017-02-16

A robust molecular dynamics simulation method for calculating dislocation core energies has been developed. This method has unique advantages: it does not require artificial boundary conditions, is applicable for mixed dislocations, and can yield highly converged results regardless of the atomistic system size. Utilizing a high-fidelity bond order potential, we have applied this method in aluminium to calculate the dislocation core energy as a function of the angle β between the dislocation line and Burgers vector. These calculations show that, for the face-centred-cubic aluminium explored, the dislocation core energy follows the same functional dependence on β as the dislocation elasticmore » energy: Ec = A·sin 2β + B·cos 2β, and this dependence is independent of temperature between 100 and 300 K. By further analysing the energetics of an extended dislocation core, we elucidate the relationship between the core energy and radius of a perfect versus extended dislocation. With our methodology, the dislocation core energy can be accurately accounted for in models of plastic deformation.« less

Atomistic calculations of dislocation core energy in aluminium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, X. W.; Sills, R. B.; Ward, D. K.

A robust molecular dynamics simulation method for calculating dislocation core energies has been developed. This method has unique advantages: it does not require artificial boundary conditions, is applicable for mixed dislocations, and can yield highly converged results regardless of the atomistic system size. Utilizing a high-fidelity bond order potential, we have applied this method in aluminium to calculate the dislocation core energy as a function of the angle β between the dislocation line and Burgers vector. These calculations show that, for the face-centred-cubic aluminium explored, the dislocation core energy follows the same functional dependence on β as the dislocation elasticmore » energy: Ec = A·sin 2β + B·cos 2β, and this dependence is independent of temperature between 100 and 300 K. By further analysing the energetics of an extended dislocation core, we elucidate the relationship between the core energy and radius of a perfect versus extended dislocation. With our methodology, the dislocation core energy can be accurately accounted for in models of plastic deformation.« less

Management of traumatic patellar dislocation in a regional hospital in Hong Kong.

PubMed

Lee, H L; Yau, W P

2017-04-01

The role of surgery for acute patellar dislocation without osteochondral fracture is controversial. The aim of this study was to report the short-term results of management of patellar dislocation in our institute. Patients who were seen in our institution with patella dislocation from January 2011 to April 2014 were managed according to a standardised management algorithm. Pretreatment and 1-year post-treatment International Knee Documentation Committee score, Tegner activity level scale score, and presence of apprehension sign were analysed. A total of 41 patients were studied of whom 20 were first-time dislocators and 21 were recurrent dislocators. Among the first-time dislocators, there was a significant difference between patients who received conservative treatment versus surgical management. The conservative treatment group had a 33% recurrent dislocation rate, whereas there were no recurrent dislocations in the surgery group. There was no difference in Tegner activity level scale score or apprehension sign before and 1 year after treatment, however. Among the recurrent dislocators, there was a significant difference between those who received conservative treatment and those who underwent surgery. The recurrent dislocation rate was 71% in the conservative treatment group versus 0% in the surgery group. There was also significant improvement in International Knee Documentation Committee score from 67.7 to 80.0 (P=0.02), and of apprehension sign from 62% to 0% (P<0.01). A management algorithm for patellar dislocation is described. Surgery is preferable to conservative treatment in patients who have recurrent patellar dislocation, and may also be preferable for those who have an acute dislocation.

Dislocations

MedlinePlus

... or a blow, sometimes from playing a contact sport. You can dislocate your ankles, knees, shoulders, hips, ... to dislocate it again. Wearing protective gear during sports may help prevent dislocations.

SiGe epitaxial memory for neuromorphic computing with reproducible high performance based on engineered dislocations

NASA Astrophysics Data System (ADS)

Choi, Shinhyun; Tan, Scott H.; Li, Zefan; Kim, Yunjo; Choi, Chanyeol; Chen, Pai-Yu; Yeon, Hanwool; Yu, Shimeng; Kim, Jeehwan

2018-01-01

Although several types of architecture combining memory cells and transistors have been used to demonstrate artificial synaptic arrays, they usually present limited scalability and high power consumption. Transistor-free analog switching devices may overcome these limitations, yet the typical switching process they rely on—formation of filaments in an amorphous medium—is not easily controlled and hence hampers the spatial and temporal reproducibility of the performance. Here, we demonstrate analog resistive switching devices that possess desired characteristics for neuromorphic computing networks with minimal performance variations using a single-crystalline SiGe layer epitaxially grown on Si as a switching medium. Such epitaxial random access memories utilize threading dislocations in SiGe to confine metal filaments in a defined, one-dimensional channel. This confinement results in drastically enhanced switching uniformity and long retention/high endurance with a high analog on/off ratio. Simulations using the MNIST handwritten recognition data set prove that epitaxial random access memories can operate with an online learning accuracy of 95.1%.

The effect of isolated dislocations on substrate and device properties in low-dislocation czochralski GaAs

NASA Astrophysics Data System (ADS)

Hunter, A. T.; Kimura, H.; Olsen, H. M.; Winston, H. V.

1986-07-01

Czochralski GaAs grown with In incorporated into the melt has large regions with fewer than 100 cm-2 dislocations. We have examined the effect of these dislocations on substrate and device properties. Infrared transmission images reveal dark filaments of high EL2 concentration a few tens of microns in diameter surrounding dislocations, Cathodo and photoluminescence images show orders of magnitude contrast in band-edge luminescence intensity near dislocations. Single dislocations appear to be surrounded by bright rings ˜200 μm in diameter in luminescence images, with dark spots 50 to 75 μm across centered on the dislocation. More complex luminescence structures with larger dark regions (˜150 μ across) and central bright spots are centered on small dislocation clusters. Differences in lifetime of photogenerated electrons or holes are the most likely cause of the luminescence contrast. Anneals typical of our post-implant processing substantially lower the luminescence contrast, suggesting the defect lowering the lifetime is removed by annealing. This may partially explain why we do not observe any effect of dislocation proximity on the properties of devices made in the material, in spite of the enormous luminescence contrast observed near dislocations.

Nonplanar core structure of the screw dislocations in tantalum from the improved Peierls-Nabarro theory

NASA Astrophysics Data System (ADS)

Hu, Xiangsheng; Wang, Shaofeng

2018-02-01

The extended structure of ? screw dislocation in Ta has been studied theoretically using the improved Peierls-Nabarro model combined with the first principles calculation. An instructive way to derive the fundamental equation for dislocations with the nonplanar structure is presented. The full ?-surface of ? plane in tantalum is evaluated from the first principles. In order to compare the energy of the screw dislocation with different structures, the structure parameter is introduced to describe the core configuration. Each kind of screw dislocation is described by an overall-shape component and a core component. Far from the dislocation centre, the asymptotic behaviour of dislocation is uniquely controlled by the overall-shape component. Near the dislocation centre, the structure detail is described by the core component. The dislocation energy is explicitly plotted as a function of the core parameter for the nonplanar dislocation as well as for the planar dislocation. It is found that in the physical regime of the core parameter, the sixfold nonplanar structure always has the lowest energy. Our result clearly confirms that the sixfold nonplanar structure is the most stable. Furthermore, the pressure effect on the dislocation structure is explored up to 100 GPa. The stability of the sixfold nonplanar structure is not changed by the applied pressure. The equilibrium structure and the related stress field are calculated, and a possible mechanism of the dislocation movement is discussed briefly based on the structure deformation caused by the external stress.

Estimation of dislocations density and distribution of dislocations during ECAP-Conform process

NASA Astrophysics Data System (ADS)

Derakhshan, Jaber Fakhimi; Parsa, Mohammad Habibi; Ayati, Vahid; Jafarian, Hamidreza

2018-01-01

Dislocation density of coarse grain aluminum AA1100 alloy (140 µm) that was severely deformed by Equal Channel Angular Pressing-Conform (ECAP-Conform) are studied at various stages of the process by electron backscattering diffraction (EBSD) method. The geometrically necessary dislocations (GNDs) density and statistically stored dislocations (SSDs) densities were estimate. Then the total dislocations densities are calculated and the dislocation distributions are presented as the contour maps. Estimated average dislocations density for annealed of about 2×1012 m-2 increases to 4×1013 m-2 at the middle of the groove (135° from the entrance), and they reach to 6.4×1013 m-2 at the end of groove just before ECAP region. Calculated average dislocations density for one pass severely deformed Al sample reached to 6.2×1014 m-2. At micrometer scale the behavior of metals especially mechanical properties largely depend on the dislocation density and dislocation distribution. So, yield stresses at different conditions were estimated based on the calculated dislocation densities. Then estimated yield stresses were compared with experimental results and good agreements were found. Although grain size of material did not clearly change, yield stress shown intensive increase due to the development of cell structure. A considerable increase in dislocations density in this process is a good justification for forming subgrains and cell structures during process which it can be reason of increasing in yield stress.

[New varieties of lateral metatarsophalangeal dislocations of the great toe].

PubMed

Bousselmame, N; Rachid, K; Lazrak, K; Galuia, F; Taobane, H; Moulay, I

2001-04-01

We report seven cases of traumatic dislocation of the great toe, detailing the anatomy, the mechanism of injury and the radiographic diagnosis. We propose an additional classification based on three hereto unreported cases. Between october 1994 and october 1997, we treated seven patients with traumatic dislocation of the first metatarso-phalangeal joint of the great toe. There were six men and one woman, mean age 35 years (range 24 - 44 years). Dislocation was caused by motor vehicle accidents in four cases and by falls in three. Diagnosis was made on anteroposterior, lateral and medial oblique radiographs. According to Jahss' classification, there was one type I and three type IIB dislocations. There was also one open lateral dislocation and two dorsomedial dislocations. Only these dorsomedial dislocations required open reduction, done via a dorsal approach. Mean follow-up was 17.5 months (range 9 - 24 months) in six cases. One patient was lost to follow-up. The outcome was good in six cases and poor in one (dorsomedial dislocation). Dislocation of the first metatarso-phalangeal joint of the great toe is an uncommon injury. In 1980, Jahss reported two cases and reviewed three others described in the literature. He proposed three types of dislocation based on the feasibility of closed reduction (type I, II and IIB). In 1991, Copeland and Kanat reported a unique case in which there was an association of IIA and IIB lesions. They proposed an addition to the classification (type IIC). In 1994, Garcia Mata et al. reported another case which had not been described by Jahss and proposed another addition. All dislocations reported to date have been sagittal dislocations. Pathological alteration of the collateral ligaments has not been previously reported. In our experience, we have seen one case of open lateral dislocation due, at surgical exploration, to medial ligament rupture and two cases of dorsomedial dislocation due, at surgical exploration, to lateral ligament rupture. We propose another additional classification with pure lateral dislocation (type III) and dorso-lateral dislocation (type IL or IIL+), which are related to the formerly described variants.

An Evaluation of CryoSat-2 SAR Mode Performance Around the UK Coasts

NASA Astrophysics Data System (ADS)

Cipollini, P.; Gommenginger, C.; Snaith, H. M.; Cotton, D.; Dinardo, S.; Benveniste, J.

2014-12-01

One of the objectives of ESA's CryoSat Plus for Ocean (CP4O) project is to demonstrate the excellent retrieval of Level 2 ocean geophysical parameters from CryoSat-2. Within CP4O we have carried out a comparison of sea surface height from CryoSat-2, reprocessed by ESRIN, against tide gauges from the UK Tide Gauge Network. This work has the specific objective to assess the performance in the coastal zone, and complements validation work over the open ocean (both for height and significant wave height) done elsewhere. We took updated corrections from the state-of-the-art RADS archive, computed the TWLE (total water level envelope, i.e. the sea level inclusive of ocean tides and atmospheric pressure and wind effect, a desirable quantity for validation), and then subset all segments of each pass within 50 km from a tide gauge, interpolating the tide gauge height (effectively a TWLE) on the time of the altimeter overpass to create match-up pairs. We first present the results of our attempt to correlate TWLE data over these multiple segments with the measurements from each nearby tide gauge, taking into account the distance of the altimetric measurements from the coastline. Results are dominated by large offsets, variable from match-up to match-up. Screening the data further based on the retracking misfit does not remove this bias, whose causes and possible impact are discussed. We then present an independent verification of the noise level in 20-Hz Cryosat-2 TWLEs and its variation as a function of distance from coast. The noise level is estimated by computing the absolute value of difference between consecutive TWLE values, as done in Passaro et al., Rem. Sens. Env, 2014. Remarkably, the median of that difference remains at ~5 cm up to 5Km from the coast, suggesting a noise level of that order for the 20-Hz data, which would correspond to ~1.1 cm for the 1-Hz data. At 3 km the median abs(diff) is ~7.3 cm. Finally we repeated the same analysis for only those points with retracking misfit below a threshold of 3. The median stays virtually flat at ~5cm all the way to the coast but obviously the fraction of points passing the misfit condition decreases quickly (it is about 60% at 5 km from the coast, and less than 25% at 3 km). These results demonstrate clearly that Cryosat-2 maintains an excellent performance of measurement well into in the coastal zone.

Quantifying the effect of hydrogen on dislocation dynamics: A three-dimensional discrete dislocation dynamics framework

NASA Astrophysics Data System (ADS)

Gu, Yejun; El-Awady, Jaafar A.

2018-03-01

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.

Dislocation-induced stress in polycrystalline materials: mesoscopic simulations in the dislocation density formalism

NASA Astrophysics Data System (ADS)

Berkov, D. V.; Gorn, N. L.

2018-06-01

In this paper we present a simple and effective numerical method which allows a fast Fourier transformation-based evaluation of stress generated by dislocations with arbitrary directions and Burgers vectors if the (site-dependent) dislocation density is known. Our method allows the evaluation of the dislocation stress using a rectangular grid with shape-anisotropic discretization cells without employing higher multipole moments of the dislocation interaction coefficients. Using the proposed method, we first simulate the stress created by relatively simple non-homogeneous distributions of vertical edge and so-called ‘mixed’ dislocations in a disk-shaped sample, which is necessary to understand the dislocation behavior in more complicated systems. The main part of our research is devoted to the stress distribution in polycrystalline layers with the dislocation density rapidly varying with the distance to the layer bottom. Considering GaN as a typical example of such systems, we investigate dislocation-induced stress for edge and mixed dislocations, having random orientations of Burgers vectors among crystal grains. We show that the rapid decay of the dislocation density leads to many highly non-trivial features of the stress distributions in such layers and study in detail the dependence of these features on the average grain size. Finally we develop an analytical approach which allows us to predict the evolution of the stress variance with the grain size and compare analytical predictions with numerical results.

20 CFR 663.115 - What are the eligibility criteria for core services for dislocated workers in the adult and...

Code of Federal Regulations, 2012 CFR

2012-04-01

... services for dislocated workers in the adult and dislocated worker programs? 663.115 Section 663.115 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated...

20 CFR 663.115 - What are the eligibility criteria for core services for dislocated workers in the adult and...

Code of Federal Regulations, 2014 CFR

2014-04-01

... services for dislocated workers in the adult and dislocated worker programs? 663.115 Section 663.115 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated...

20 CFR 663.115 - What are the eligibility criteria for core services for dislocated workers in the adult and...

Code of Federal Regulations, 2013 CFR

2013-04-01

... services for dislocated workers in the adult and dislocated worker programs? 663.115 Section 663.115 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated...

Dislocation pinning effects induced by nano-precipitates during warm laser shock peening: Dislocation dynamic simulation and experiments

NASA Astrophysics Data System (ADS)

Liao, Yiliang; Ye, Chang; Gao, Huang; Kim, Bong-Joong; Suslov, Sergey; Stach, Eric A.; Cheng, Gary J.

2011-07-01

Warm laser shock peening (WLSP) is a new high strain rate surface strengthening process that has been demonstrated to significantly improve the fatigue performance of metallic components. This improvement is mainly due to the interaction of dislocations with highly dense nanoscale precipitates, which are generated by dynamic precipitation during the WLSP process. In this paper, the dislocation pinning effects induced by the nanoscale precipitates during WLSP are systematically studied. Aluminum alloy 6061 and AISI 4140 steel are selected as the materials with which to conduct WLSP experiments. Multiscale discrete dislocation dynamics (MDDD) simulation is conducted in order to investigate the interaction of dislocations and precipitates during the shock wave propagation. The evolution of dislocation structures during the shock wave propagation is studied. The dislocation structures after WLSP are characterized via transmission electron microscopy and are compared with the results of the MDDD simulation. The results show that nano-precipitates facilitate the generation of highly dense and uniformly distributed dislocation structures. The dislocation pinning effect is strongly affected by the density, size, and space distribution of nano-precipitates.

“Conjugate Channeling” Effect in Dislocation Core Diffusion: Carbon Transport in Dislocated BCC Iron

PubMed Central

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction , but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. is a function of the Burgers vector b, but not , thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility. PMID:23593255

"Conjugate channeling" effect in dislocation core diffusion: carbon transport in dislocated BCC iron.

PubMed

Ishii, Akio; Li, Ju; Ogata, Shigenobu

2013-01-01

Dislocation pipe diffusion seems to be a well-established phenomenon. Here we demonstrate an unexpected effect, that the migration of interstitials such as carbon in iron may be accelerated not in the dislocation line direction ξ, but in a conjugate diffusion direction. This accelerated random walk arises from a simple crystallographic channeling effect. c is a function of the Burgers vector b, but not ξ, thus a dislocation loop possesses the same everywhere. Using molecular dynamics and accelerated dynamics simulations, we further show that such dislocation-core-coupled carbon diffusion in iron has temperature-dependent activation enthalpy like a fragile glass. The 71° mixed dislocation is the only case in which we see straightforward pipe diffusion that does not depend on dislocation mobility.

Comparison of Velocity Models for South America through Seismic Wave Modeling of Ten Andean Earthquakes Recorded by the Brazilian Seismographic Network using the Spectral Element Method

NASA Astrophysics Data System (ADS)

Ciardelli, C.; Assumpcao, M.

2016-12-01

In this work, we carried out simulations of seismic waves propagation for ten large earthquakes occurred in Chile between 2011 and 2016,using the SPECFEM3D Global software (Komatitsch and Tromp, 2000) and the Centroid Moment Tensor solutions from the global catalog (Dziewonski, Chou and Woodhouse, 1981; Ekström, Nettles and Dziewonski, 2012). For each event, the complete wave field was calculated using the spectral element method and recorded at the coordinates of the Brazilian Seismographic Network, thus we can compare the synthetic seismograms with the real data. Initially, we assess the differences between CRUST1.0 and CRUST2.0 models using the transversely isotropic PREM for the internal part of the planet. We will also compare the PREM velocity model plus CRUST1.0 with the Feng's velocity model for South America (Feng, Van der Lee and Assumpção, 2007), calculated using Partitioned Waveform Inversion. For each model, we will evaluate the misfit for all stations of the network. The similarity can be estimated by pure RMS or combining it with cross-correlation. Travel-time residuals can also be used to better constrain velocity anomalies and avoid cycle-skipping. The results will help to assess which model is more appropriated to start a Full-waveform Tomography of the South American continent and the surrounding oceans.

BBilateral Neglected Anterior Shoulder Dislocation with Greater Tuberosity Fractures

PubMed Central

Upasani, Tejas; Bhatnagar, Abhinav; Mehta, Sonu

2016-01-01

Introduction: Shoulder dislocations are a very common entity in routine orthopaedic practice. Chronic unreduced anterior dislocations of the shoulder are not very common. Neurological and vascular complications may occur as a result of an acute anterior dislocation of the shoulder or after a while in chronic unreduced shoulder dislocation. Open reduction is indicated for most chronic shoulder dislocations. We report a case of neglected bilateral anterior shoulder dislocation with bilateral displaced greater tuberosity fracture. To the best of our knowledge, only a handful cases have been reported in literature with bilateral anterior shoulder dislocation with bilateral fractures. Delayed diagnosis/reporting is a scenario which makes the list even slimmer and management all the more challenging. Case Report: We report a case of a 35-year-old male who had bilateral anterior shoulder dislocation and bilateral greater tuberosity fracture post seizure and failed to report it for a period of 30 days. One side was managed conservatively with closed reduction and immobilization and the other side with open reduction. No neurovascular complications pre or post reduction of shoulder were seen. Conclusion: Shoulder dislocations should always be suspected post seizures and if found should be treated promptly. Treatment becomes difficult for any shoulder dislocation that goes untreated for considerable period of time PMID:27703939

Dynamics and Removal Pathway of Edge Dislocations in Imperfectly Attached PbTe Nanocrystal Pairs: Toward Design Rules for Oriented Attachment.

PubMed

Ondry, Justin C; Hauwiller, Matthew R; Alivisatos, A Paul

2018-04-24

Using in situ high-resolution TEM, we study the structure and dynamics of well-defined edge dislocations in imperfectly attached PbTe nanocrystals. We identify that attachment of PbTe nanocrystals on both {100} and {110} facets gives rise to b = a/2⟨110⟩ edge dislocations. Based on the Burgers vector of individual dislocations, we can identify the glide plane of the dislocations. We observe that defects in particles attached on {100} facets have glide planes that quickly intersect the surface, and HRTEM movies show that the defects follow the glide plane to the surface. For {110} attached particles, the glide plane is collinear with the attachment direction, which does not provide an easy path for the dislocation to reach the surface. Indeed, HRTEM movies of dislocations for {110} attached particles show that defect removal is much slower. Further, we observe conversion from pure edge dislocations in imperfectly attached particles to dislocations with mixed edge and screw character, which has important implications for crystal growth. Finally, we observe that dislocations initially closer to the surface have a higher speed of removal, consistent with the strong dislocation free surface attractive force. Our results provide important design rules for defect-free attachment of preformed nanocrystals into epitaxial assemblies.

[Therapy of traumatic anterior shoulder dislocation: current status of therapy in Germany. Are there scientifically verified therapy concepts?].

PubMed

Tingart, M; Bäthis, H; Bouillon, B; Tiling, T

2001-06-01

There are no generally accepted concepts for the treatment of traumatic anterior shoulder dislocation. The objective of this study was to ascertain the current treatment for traumatic shoulder dislocations in German hospitals and to compare this with the data reported in the literature. A total of 210 orthopedic surgery departments were asked for their treatment strategy in an anonymous country-wide survey; 103 questionnaires (49%) were returned for evaluation. Additional imaging (ultrasound, CT, MRI) beyond the routine X-rays is performed in 82% of clinics for primary shoulder dislocation (94% in recurrent dislocation). A young, athletic patient (< 30 years old) would be operated on for a primary traumatic shoulder dislocation in 73% of hospitals (98% in recurrent dislocation). In contrast, a patient of the same age, with a moderate level of sporting activity would be treated conservatively in 67% of cases (14% in recurrent dislocation). Similarly, for an active, middle-aged patient with a demanding job, 74% of responses favored conservative treatment after a primary dislocation and 6% after a recurrent dislocation. Older patients (> 65 years old) are usually treated conservatively after a primary or recurrent shoulder dislocation (99%, 69%). For a primary shoulder dislocation the most popular surgical reconstruction is a Bankart repair (75%). For recurrent shoulder dislocation several different operative techniques are seen (Bankart 29%, T-shift 26%, Putti-Platt 8%, Eden-Lange-Hybbinette 22%, Weber osteotomy 13%). Based on our literature review, we found: (1) The clinical examination of both shoulders is important to diagnose hyperlaxity; (2) Routine CT or MRI is not necessary for primary traumatic shoulder dislocations; (3) A young, athletic patient should undergo surgical reconstruction after a primary shoulder dislocation; (4) The operation of choice for primary and recurrent dislocation is the Bankart repair; (5) There is no sufficient evidence that an arthroscopic Bankart repair is as good as an open procedure; (6) There are limited indications for other operative techniques, as they are associated with a higher recurrence and arthrosis rate.

Out-of-plane three-stable-state ferroelectric switching: Finding the missing middle states

NASA Astrophysics Data System (ADS)

Lee, Jin Hong; Chu, Kanghyun; Kim, Kwang-Eun; Seidel, Jan; Yang, Chan-Ho

2016-03-01

By realizing a nonvolatile third intermediate ferroelectric state through anisotropic misfit strain, we demonstrate electrical switching among three stable out-of-plane polarizations in bismuth ferrite thin films grown on (110) pc-oriented gadolinium scandate substrates (where pc stands for pseudocubic) by the use of an asymmetric external electric field at the step edge of a bottom electrode. We employ phenomenological Landau theory, in conjunction with electrical poling experiments using piezoresponse force microscopy, to understand the role of anisotropic misfit strain and an in-plane electric field in stabilization of multiple ferroelectric states and their competition. Our finding provides a useful insight into multistep ferroelectric switching in rhombohedral ferroelectrics.

20 CFR 663.115 - What are the eligibility criteria for core services for dislocated workers in the adult and...

Code of Federal Regulations, 2011 CFR

2011-04-01

... services for dislocated workers in the adult and dislocated worker programs? 663.115 Section 663.115 Employees' Benefits EMPLOYMENT AND TRAINING ADMINISTRATION, DEPARTMENT OF LABOR ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated Worker Services...

A micro S-shaped optical fiber temperature sensor based on dislocation fiber splice

NASA Astrophysics Data System (ADS)

Yan, Haitao; Li, Pengfei; Zhang, Haojie; Shen, Xiaoyue; Wang, Yongzhen

2017-12-01

We fabricated a simple, compact, and stable temperature sensor based on an S-shaped dislocated optical fiber. The dislocation optical fiber has two splice points, and we obtained the optimal parameters based on the theory and our experiment, such as the dislocation amount and length of the dislocation optical fiber. According to the relationship between the temperature and the peak wavelength shift, the temperature of the environment can be obtained. Then, we made this fiber a micro bending as S-shape between the two dislocation points, and the S-shaped micro bending part could release stress with the change in temperature and reduce the effect of stress on the temperature measurement. This structure could solve the problem of sensor distortion caused by the cross response of temperature and stress. We measured the S-shaped dislocation fiber sensor and the dislocation fiber without S-shape under the same environment and conditions, and the S-shaped dislocation fiber had the advantages of the stable reliability and good linearity.

Quasicontinuum analysis of dislocation-coherent twin boundary interaction to provide local rules to discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Tran, H.-S.; Tummala, H.; Duchene, L.; Pardoen, T.; Fivel, M.; Habraken, A. M.

2017-10-01

The interaction of a pure screw dislocation with a Coherent Twin Boundary Σ3 in copper was studied using the Quasicontinuum method. Coherent Twin Boundary behaves as a strong barrier to dislocation glide and prohibits slip transmission across the boundary. Dislocation pileup modifies the stress field at its intersection with the Grain Boundary (GB). A methodology to estimate the strength of the barrier for a dislocation to slip across CTB is proposed. A screw dislocation approaching the boundary from one side either propagates into the adjacent twin grain by cutting through the twin boundary or is stopped and increases the dislocation pileup amplitude at the GB. Quantitative estimation of the critical stress for transmission was performed using the virial stress computed by Quasicontinuum method. The transmission mechanism and critical stress are in line with the literature. Such information can be used as input for dislocation dynamic simulations for a better modeling of grain boundaries.

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shearer, Melinda J.; Samad, Leith; Zhang, Yi

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Complex and noncentrosymmetric stacking of layered metal dichalcogenide materials created by screw dislocations

DOE PAGES

Shearer, Melinda J.; Samad, Leith; Zhang, Yi; ...

2017-02-08

The interesting and tunable properties of layered metal dichalcogenides heavily depend on their phase and layer stacking. Here, we show and explain how the layer stacking and physical properties of WSe 2 are influenced by screw dislocations. A one-to-one correlation of atomic force microscopy and high- and low-frequency Raman spectroscopy of many dislocated WSe 2 nanoplates reveals variations in the number and shapes of dislocation spirals and different layer stackings that are determined by the number, rotation, and location of the dislocations. Plates with triangular dislocation spirals form noncentrosymmetric stacking that gives rise to strong second-harmonic generation and enhanced photoluminescence,more » plates with hexagonal dislocation spirals form the bulk 2H layer stacking commonly observed, and plates containing mixed dislocation shapes have intermediate noncentrosymmetric stackings with mixed properties. Multiple dislocation cores and other complexities can lead to more complex stackings and properties. Finally, these previously unobserved properties and layer stackings in WSe 2 will be interesting for spintronics and valleytronics.« less

Motion of 1/3⟨111⟩ dislocations on Σ3 {112} twin boundaries in nanotwinned copper

NASA Astrophysics Data System (ADS)

Lu, N.; Du, K.; Lu, L.; Ye, H. Q.

2014-01-01

The atomic structure of Σ3 {112} ITBs in nanotwinned Cu is investigated by using aberration-corrected high resolution transmission electron microscopy (HRTEM) and in situ HRTEM observations. The Σ3 {112} ITBs are consisted of periodically repeated three partial dislocations. The in situ HRTEM results show that 1/3[111] partial dislocation moves on the Σ3 {112} incoherent twin boundary (ITB), which was accompanied by a migration of the ITB. A dislocation reaction mechanism is proposed for the motion of 1/3[111] Frank partial dislocation, in which the 1/3[111] partial dislocation exchanges its position with twin boundary dislocations in sequence. In this way, the 1/3[111] dislocation can move on the incoherent twin boundary in metals with low stacking fault energy. Meanwhile, the ITB will migrate in its normal direction accordingly. These results provide insight into the reaction mechanism of 1/3[111] dislocations and ITBs and the associated migration of ITBs.

Complete dislocation of the ulnar nerve at the elbow: a protective effect against neuropathy?

PubMed

Leis, A Arturo; Smith, Benn E; Kosiorek, Heidi E; Omejec, Gregor; Podnar, Simon

2017-08-01

Recurrent complete ulnar nerve dislocation has been perceived as a risk factor for development of ulnar neuropathy at the elbow (UNE). However, the role of dislocation in the pathogenesis of UNE remains uncertain. We studied 133 patients with complete ulnar nerve dislocation to determine whether this condition is a risk factor for UNE. In all, the nerve was palpated as it rolled over the medial epicondyle during elbow flexion. Of 56 elbows with unilateral dislocation, UNE localized contralaterally in 17 elbows (30.4%) and ipsilaterally in 10 elbows (17.9%). Of 154 elbows with bilateral dislocation, 26 had UNE (16.9%). Complete dislocation decreased the odds of having UNE by 44% (odds ratio = 0.475; P =  0.028), and was associated with less severe UNE (P = 0.045). UNE occurs less frequently and is less severe on the side of complete dislocation. Complete dislocation may have a protective effect on the ulnar nerve. Muscle Nerve 56: 242-246, 2017. © 2016 Wiley Periodicals, Inc.

Unravelling the physics of size-dependent dislocation-mediated plasticity

NASA Astrophysics Data System (ADS)

El-Awady, Jaafar A.

2015-01-01

Size-affected dislocation-mediated plasticity is important in a wide range of materials and technologies. Here we develop a generalized size-dependent dislocation-based model that predicts strength as a function of crystal/grain size and the dislocation density. Three-dimensional (3D) discrete dislocation dynamics (DDD) simulations reveal the existence of a well-defined relationship between strength and dislocation microstructure at all length scales for both single crystals and polycrystalline materials. The results predict a transition from dislocation-source strengthening to forest-dominated strengthening at a size-dependent critical dislocation density. It is also shown that the Hall-Petch relationship can be physically interpreted by coupling with an appropriate kinetic equation of the evolution of the dislocation density in polycrystals. The model is shown to be in remarkable agreement with experiments. This work presents a micro-mechanistic framework to predict and interpret strength size-scale effects, and provides an avenue towards performing multiscale simulations without ad hoc assumptions.

Characteristics of dislocation structure in creep deformed lamellar tial alloy within primary regime

NASA Astrophysics Data System (ADS)

Cho, H. S.; Nam, Soo W.

1999-06-01

In this investigation, dislocations of a lamellar TiAl alloy are analyzed after creeping in the primary range at 800°C/200MPa in order to interpret their mobility It was found that the dislocation density in γ-laths decreased as the creep deformation proceeds within primary creep regime Schmid factor analysis suggests that the creep deformation in the early stage of the primary creep regime is controlled by the gliding of some of the initial dislocations which have a high enough Schmid factor As the creep deformation progressed, those dislocations with high Schmid factors slip preferentially to be annihilated at the α-γ interface For further continuous deformation, dislocation generation is required, and for this, α-phase is transformed to γ-phase in order to generate new dislocations A slow dislocation generation process by phase transformation of α-phase compared with the absorbing rate to sinks is responsible for the decreasing dislocation density as the creep strain increases

Strain field mapping of dislocations in a Ge/Si heterostructure.

PubMed

Liu, Quanlong; Zhao, Chunwang; Su, Shaojian; Li, Jijun; Xing, Yongming; Cheng, Buwen

2013-01-01

Ge/Si heterostructure with fully strain-relaxed Ge film was grown on a Si (001) substrate by using a two-step process by ultra-high vacuum chemical vapor deposition. The dislocations in the Ge/Si heterostructure were experimentally investigated by high-resolution transmission electron microscopy (HRTEM). The dislocations at the Ge/Si interface were identified to be 90° full-edge dislocations, which are the most efficient way for obtaining a fully relaxed Ge film. The only defect found in the Ge epitaxial film was a 60° dislocation. The nanoscale strain field of the dislocations was mapped by geometric phase analysis technique from the HRTEM image. The strain field around the edge component of the 60° dislocation core was compared with those of the Peierls-Nabarro and Foreman dislocation models. Comparison results show that the Foreman model with a = 1.5 can describe appropriately the strain field around the edge component of a 60° dislocation core in a relaxed Ge film on a Si substrate.

Effect of solute atoms on dislocation motion in Mg: An electronic structure perspective

PubMed Central

Tsuru, T.; Chrzan, D. C.

2015-01-01

Solution strengthening is a well-known approach to tailoring the mechanical properties of structural alloys. Ultimately, the properties of the dislocation/solute interaction are rooted in the electronic structure of the alloy. Accordingly, we compute the electronic structure associated with, and the energy barriers to dislocation cross-slip. The energy barriers so obtained can be used in the development of multiscale models for dislocation mediated plasticity. The computed electronic structure can be used to identify substitutional solutes likely to interact strongly with the dislocation. Using the example of a-type screw dislocations in Mg, we compute accurately the Peierls barrier to prismatic plane slip and argue that Y, Ca, Ti, and Zr should interact strongly with the studied dislocation, and thereby decrease the dislocation slip anisotropy in the alloy. PMID:25740411

Deformation twinning in a creep-deformed nanolaminate structure

NASA Astrophysics Data System (ADS)

Hsiung, Luke L.

2010-10-01

The underlying mechanism of deformation twinning occurring in a TiAl-(γ)/Ti3Al-(α2) nanolaminate creep deformed at elevated temperatures has been studied. Since the multiplication and propagation of lattice dislocations in both γ and α2 thin lamellae are very limited, the total flow of lattice dislocations becomes insufficient to accommodate the accumulated creep strains. Consequently, the movement of interfacial dislocations along the laminate interfaces, i.e., interface sliding, becomes an alternative deformation mode of the nanolaminate structure. Pile-ups of interfacial dislocations occur when interfacial ledges and impinged lattice dislocations act as obstacles to impede the movement of interfacial dislocations. Deformation twinning can accordingly take place to relieve a stress concentration resulting from the pile-up of interfacial dislocations. An interface-controlled twinning mechanism driven by the pile-up and dissociation of interfacial dislocations is accordingly proposed.

Dislocation dynamics in hexagonal close-packed crystals

DOE PAGES

Aubry, S.; Rhee, M.; Hommes, G.; ...

2016-04-14

Extensions of the dislocation dynamics methodology necessary to enable accurate simulations of crystal plasticity in hexagonal close-packed (HCP) metals are presented. They concern the introduction of dislocation motion in HCP crystals through linear and non-linear mobility laws, as well as the treatment of composite dislocation physics. Formation, stability and dissociation of and other dislocations with large Burgers vectors defined as composite dislocations are examined and a new topological operation is proposed to enable their dissociation. Furthermore, the results of our simulations suggest that composite dislocations are omnipresent and may play important roles both in specific dislocation mechanisms and in bulkmore » crystal plasticity in HCP materials. While fully microscopic, our bulk DD simulations provide wealth of data that can be used to develop and parameterize constitutive models of crystal plasticity at the mesoscale.« less

Dislocation loop models for the high temperature creep of Al-5.5 at.% Mg alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

An, S.U.; Blum, W.

1995-04-15

The Al-5.5 at.% Mg alloy is a typical class I type solution hardened material. The dislocation loop models proposed by Orlova and Cadek and by Mills et al., respectively are widely applied models in describing the high temperature creep behavior of the Al-5.5 at.% Mg alloy. These models, however, are in conflict in explaining dislocation loop theory. Orlova and Cadek suggest that in class I solution hardened alloys screw dislocations are relatively easier to migrate because they are subject to a smaller resistance in motion than edge dislocations. Consequently, the migration rate of screw dislocations is higher than that ofmore » edge dislocations. However, since dislocation loops are composed of both screw and edge components, the overall migration rate of screw dislocations are reduced by that of the edge component. Mills et al. on the contrary, used a different dislocation loop model. As the loop grows while it moves, it takes on the shape of an ellipsoid due to the unbalance in growth rate, the score segment moving much easier than the edge. Therefore, as shown in the results of the stress reduction tests, rapid elastic ({Delta} {var_epsilon}{sub el}) and anelastic contraction ({Delta} {var_epsilon}{sub an}) occur simultaneously directly after stress reduction. During the movement of the dislocation loop, the screw component hence becomes severely curved, while the edge component retains a straight line. This has been proved through dislocation structure observations by TEM.« less

Dislocation pileup as a representation of strain accumulation on a strike-slip fault

USGS Publications Warehouse

Savage, J.C.

2006-01-01

The conventional model of strain accumulation on a vertical transform fault is a discrete screw dislocation in an elastic half-space with the Burgers vector of the dislocation increasing at the rate of relative plate motion. It would be more realistic to replace that discrete dislocation by a dislocation distribution, presumably a pileup in which the individual dislocations are in equilibrium. The length of the pileup depends upon the applied stress and the amount of slip that has occurred at depth. I argue here that the dislocation pileup (the transition on the fault from no slip to slip at the full plate rate) occupies a substantial portion of the lithosphere thickness. A discrete dislocation at an adjustable depth can reproduce the surface deformation profile predicted by a pileup so closely that it will be difficult to distinguish between the two models. The locking depth (dislocation depth) of that discrete dislocation approximation is substantially (???30%) larger than that (depth to top of the pileup) in the pileup model. Thus, in inverting surface deformation data using the discrete dislocation model, the locking depth in the model should not be interpreted as the true locking depth. Although dislocation pileup models should provide a good explanation of the surface deformation near the fault trace, that explanation may not be adequate at greater distances from the fault trace because approximating the expected horizontally distributed deformation at subcrustal depths by uniform slip concentrated on the fault is not justified.

Instability of total hip replacement: A clinical study and determination of its risk factors.

PubMed

Ezquerra-Herrando, L; Seral-García, B; Quilez, M P; Pérez, M A; Albareda-Albareda, J

2015-01-01

To determine the risk factors associated with prosthetic dislocation and simulate a finite element model to determine the safe range of movement of various inclination and anteversion cup positions. Retrospective Case Control study with 46 dislocated patients from 1994 to 2011. 83 randomly selected patients. Dislocation risk factors described in the literature were collected. A prosthetic model was simulated using finite elements with 28, 32, 36 mm heads, and a 52 mm cup. Acetabular position was 25°, 40°, and 60° tilt and with 0°, 15° and 25° anteversion. In extension of 0° and flexion of 90°, internal and external rotation was applied to analyze the range of movement, maximum resisting moment, and stress distribution in the acetabulum to impingement and dislocation. There was greater dislocation in older patients (p=0.002). Higher dislocation in fractures than in osteoarthritis (p=0.001). Less anteversion in dislocated patients (p=0.043). Longer femoral neck in dislocated patients (p=0.002). Finite element model: lower dislocation when there is more anteversion, tilt and bigger femoral heads. Advanced age and fractures are the major risk factors for dislocation. "Safe zone" of movement for dislocation avoidance is 40°-60° tilt and 15°-25° anteversion. Both the defect and excess of soft tissue tension predispose to dislocation. Bigger femoral heads are more stable. Copyright © 2014 SECOT. Published by Elsevier Espana. All rights reserved.

Dislocation Multiplication in the Early Stage of Deformation in Mo Single Crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsiung, L.; Lassila, D.H.

Initial dislocation structure in annealed high-purity Mo single crystals and deformation substructure in a crystal subjected to 1% compression have been examined and studied using transmission electron microscopy (TEM) techniques in order to investigate dislocation multiplication mechanisms in the early stage of plastic deformation. The initial dislocation density is in a range of 10{sup 6} {approx} 10{sup 7} cm{sup -2}, and the dislocation structure is found to contain many grown-in superjogs along dislocation lines. The dislocation density increases to a range of 10{sup 8} {approx} 10{sup 9} cm{sup -2}, and the average jog height is also found to increase aftermore » compressing for a total strain of 1%. It is proposed that the preexisting jogged screw dislocations can act as (multiple) dislocation multiplication sources when deformed under quasi-static conditions. The jog height can increase by stress-induced jog coalescence, which takes place via the lateral migration (drift) of superjogs driven by unbalanced line-tension partials acting on link segments of unequal lengths. The coalescence of superjogs results in an increase of both link length and jog height. Applied shear stress begins to push each link segment to precede dislocation multiplication when link length and jog height are greater than critical lengths. This ''dynamic'' dislocation multiplication source is suggested to be crucial for the dislocation multiplication in the early stage of plastic deformation in Mo.« less

Tunable PhoXonic Band Gap Materials from Self-Assembly of Block Copolymers and Colloidal Nanocrystals (NBIT Phase II)

DTIC Science & Technology

2013-12-12

their application in sensors and as displays. We found that the thermochromic behavior of a lamellar block copolymer poly(styrene-b-2-vinylpyridine...the solution pH. The findings of this work provide the basis for understanding and controlling the properties of thermochromic block copolymers...by the glassy PS layers . The glassy layers completely constrain the lateral expansion of the P2VP gel block and the dislocation defect network that

Unzipping and movement of Lomer-type edge dislocations in Ge/GeSi/Si(0 0 1) heterostructures

NASA Astrophysics Data System (ADS)

Bolkhovityanov, Yu. B.; Deryabin, A. S.; Gutakovskii, A. K.; Sokolov, L. V.

2018-02-01

Edge dislocations in face-centered crystals are formed from two mixed dislocations gliding along intersecting {1 -1 1} planes, forming the so-called Lomer locks. This process, which is called zipping, is energetically beneficial. It is experimentally demonstrated in this paper that a reverse process may occur in Ge/GeSi strained buffer/Si(0 0 1) heterostructures under certain conditions, namely, decoupling of two 60° dislocations that formed the Lomer-type dislocation, i.e., unzipping. It is assumed that the driving force responsible for separation of Lomer dislocations into two 60° dislocations is the strain remaining in the GeSi buffer layer.

Temporomandibular joint dislocation

PubMed Central

Sharma, Naresh Kumar; Singh, Akhilesh Kumar; Pandey, Arun; Verma, Vishal; Singh, Shreya

2015-01-01

Temporomandibular joint (TMJ) dislocation is an uncommon but debilitating condition of the facial skeleton. The condition may be acute or chronic. Acute TMJ dislocation is common in clinical practice and can be managed easily with manual reduction. Chronic recurrent TMJ dislocation is a challenging situation to manage. In this article, we discuss the comprehensive review of the different treatment modalities in managing TMJ dislocation. PMID:26668447

Influence of CAD/CAM scanning method and tooth-preparation design on the vertical misfit of zirconia crown copings.

PubMed

Castillo Oyagüe, Raquel; Sánchez-Jorge, María Isabel; Sánchez Turrión, Andrés

2010-12-01

To evaluate the influence of scanning method, finish line type and occlusal convergence angle of the teeth preparations on the vertical misfit of zirconia crown copings. 20 standardized stainless-steel master dies were machined simulating full-crown preparations. The total convergence angle was 15 degrees or 20 degrees (n=10 each). Two of the finish line types: a chamfer (CH) and a shoulder (SH) were prepared around the contour of each abutment. Over these dies, 20 structures were made by CAD/CAM (Cercon, Dentsply). An optical laser digitized the wax patterns of 10 single-unit copings (WS), and 10 abutments were direct-scanned to design the cores by computer (DS). Zirconia milled caps were luted onto the models under constant seating pressure. Vertical discrepancy was assessed by SEM. Misfit data were analyzed using ANOVA and Student-Newman-Keuls (SNK) test for multiple comparisons at alpha = 0.05. Vertical gap measurements of WS copings were significantly higher than those of DS frames (P < 0.0001). SH exhibited statistically higher discrepancies than CH when combined with a 15-degree occlusal convergence angle regardless of the scanning method (P < 0.05). The taper angle of the preparation (15 degrees vs. 20 degrees) had no effect on the marginal adaptation of chamfered samples.

Grain size effects on dislocation and twinning mediated plasticity in magnesium

DOE PAGES

Fan, Haidong; Aubry, Sylvie; Arsenlis, Athanasios; ...

2015-09-20

Grain size effects on the competition between dislocation slip and {101¯2} -twinning in magnesium are investigated using discrete dislocation dynamics simulations. These simulations account for dislocation–twin boundary interactions and twin boundary migration through the glide of twinning dislocations. It is shown that twinning deformation exhibits a strong grain size effect; while dislocation mediated slip in untwinned polycrystals displays a weak one. In conclusion, this leads to a critical grain size at 2.7 μm, above which twinning dominates, and below which dislocation slip dominates.

Undisplaced Intraoperative Fracture Presenting as Early Dislocation with Tapered Wedge Stems in Total Hip Arthroplasty - Case Series and Review of Literature

PubMed Central

Reddy, A V Gurava; Eachempati, Krishna Kiran; Mugalur, Aakash; Suchinder, A; Rao, V B N Prasad; Kamurukuru, Nalanda

2017-01-01

Introduction: Periprosthetic fractures and dislocation in the early post-operative period can be disastrous both for the surgeon and the patient. However, undisplaced periprosthetic fractures presenting with dislocation is uncommon. We describe successful management of two cases (one bilateral dislocation and one unilateral dislocation) of undisplaced iatrogenic fractures in total hip arthroplasty (THA) presenting as early dislocation. Case Report: Case 1 was a 45-year-old female with osteoarthritis of hip secondary to developmental dysplasia of the hip with bilateral early nontraumatic dislocation with bilateral identical periprosthetic fracture. It was managed by revision to long stem and encirclage wiring. Case 2 presented with early dislocation in the 2nd week post THA. We found an intertrochanteric fracture intra-operatively with unstable implant. Acetabular component and femoral component revision were done with reconstruction of the greater trochanter. Discussion: These fractures could be occult iatrogenic fractures characteristic of taper wedge stems which presented as early nontraumatic dislocation in the post-operative period. The prosthesis subsidence, loss of muscle tension and change of version might be the factors leading to dislocation. Conclusion: Unrecognized incomplete intraoperative fracture can occur with tapered wedge uncemented stems which can present as a dislocation in the immediate post-operative period. This will require early revision of the femoral component. PMID:29051875

Defect structure of high temperature hydride vapor phase epitaxy-grown epitaxial (0 0 0 1) AlN/sapphire using growth mode modification process

NASA Astrophysics Data System (ADS)

Su, Xujun; Zhang, Jicai; Huang, Jun; Zhang, Jinping; Wang, Jianfeng; Xu, Ke

2017-06-01

Defect structures were investigated by transmission electron microscopy for AlN/sapphire (0 0 0 1) epilayers grown by high temperature hydride vapor phase epitaxy using a growth mode modification process. The defect structures, including threading dislocations, inversion domains, and voids, were analyzed by diffraction contrast, high-resolution imaging, and convergent beam diffraction. AlN film growth was initiated at 1450 °C with high V/III ratio for 8 min. This was followed by low V/III ratio growth for 12 min. The near-interfacial region shows a high density of threading dislocations and inversion domains. Most of these dislocations have Burgers vector b = 1/3〈1 1 2 0〉 and were reduced with the formation of dislocation loops. In the middle range 400 nm < h < 2 μm, dislocations gradually aggregated and reduced to ∼109 cm-2. The inversion domains have a shuttle-like shape with staggered boundaries that deviate by ∼ ±5° from the c axis. Above 2 μm thickness, the film consists of isolated threading dislocations with a total density of 8 × 108 cm-2. Most of threading dislocations are either pure edge or mixed dislocations. The threading dislocation reduction in these films is associated with dislocation loops formation and dislocation aggregation-interaction during island growth with high V/III ratio.

Evolution of the substructure of a novel 12% Cr steel under creep conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yadav, Surya Deo, E-mail: surya.yadav@tugraz.at; Kalácska, Szilvia, E-mail: kalacska@metal.elte.hu; Dománková, Mária, E-mail: maria.domankova@stuba.sk

2016-05-15

In this work we study the microstruture evolution of a newly developed 12% Cr martensitic/ferritic steel in as-received condition and after creep at 650 °C under 130 MPa and 80 MPa. The microstructure is described as consisting of mobile dislocations, dipole dislocations, boundary dislocations, precipitates, lath boundaries, block boundaries, packet boundaries and prior austenitic grain boundaries. The material is characterized employing light optical microscopy (LOM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and electron backscatter diffraction (EBSD). TEM is used to characterize the dislocations (mobile + dipole) inside the subgrains and XRD measurements are used tomore » the characterize mobile dislocations. Based on the subgrain boundary misorientations obtained from EBSD measurements, the boundary dislocation density is estimated. The total dislocation density is estimated for the as-received and crept conditions adding the mobile, boundary and dipole dislocation densities. Additionally, the subgrain size is estimated from the EBSD measurements. In this publication we propose the use of three characterization techniques TEM, XRD and EBSD as necessary to characterize all type of dislocations and quantify the total dislocation densty in martensitic/ferritic steels. - Highlights: • Creep properties of a novel 12% Cr steel alloyed with Ta • Experimental characterization of different types of dislocations: mobile, dipole and boundary • Characterization and interpretation of the substructure evolution using unique combination of TEM, XRD and EBSD.« less

Theory of interacting dislocations on cylinders.

PubMed

Amir, Ariel; Paulose, Jayson; Nelson, David R

2013-04-01

We study the mechanics and statistical physics of dislocations interacting on cylinders, motivated by the elongation of rod-shaped bacterial cell walls and cylindrical assemblies of colloidal particles subject to external stresses. The interaction energy and forces between dislocations are solved analytically, and analyzed asymptotically. The results of continuum elastic theory agree well with numerical simulations on finite lattices even for relatively small systems. Isolated dislocations on a cylinder act like grain boundaries. With colloidal crystals in mind, we show that saddle points are created by a Peach-Koehler force on the dislocations in the circumferential direction, causing dislocation pairs to unbind. The thermal nucleation rate of dislocation unbinding is calculated, for an arbitrary mobility tensor and external stress, including the case of a twist-induced Peach-Koehler force along the cylinder axis. Surprisingly rich phenomena arise for dislocations on cylinders, despite their vanishing Gaussian curvature.

Quantitative analysis of dislocation arrangements induced by electromigration in a passivated Al (0.5 wt % Cu) interconnect

NASA Astrophysics Data System (ADS)

Barabash, R. I.; Ice, G. E.; Tamura, N.; Valek, B. C.; Bravman, J. C.; Spolenak, R.; Patel, J. R.

2003-05-01

Electromigration during accelerated testing can induce plastic deformation in apparently undamaged Al interconnect lines as recently revealed by white beam scanning x-ray microdiffraction. In the present article, we provide a first quantitative analysis of the dislocation structure generated in individual micron-sized Al grains during an in situ electromigration experiment. Laue reflections from individual interconnect grains show pronounced streaking during the early stages of electromigration. We demonstrate that the evolution of the dislocation structure during electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed dislocations as well as geometrically necessary dislocation boundaries. Approximately half of all unpaired dislocations are grouped within the walls. The misorientation created by each boundary and density of unpaired individual dislocations is determined. The origin of the observed plastic deformation is considered in view of the constraints for dislocation arrangements under the applied electric field during electromigration.

Validation of strain gauges as a method of measuring precision of fit of implant bars.

PubMed

Hegde, Rashmi; Lemons, Jack E; Broome, James C; McCracken, Michael S

2009-04-01

Multiple articles in the literature have used strain gauges to estimate the precision of fit of implant bars. However, the accuracy of these measurements has not been fully documented. The purpose of this study was to evaluate the response of strain gauges to known amounts of misfit in an implant bar. This is an important step in validation of this device. A steel block was manufactured with five 4.0-mm externally hexed implant platforms machined into the block 7-mm apart. A 1.4-cm long gold alloy bar was cast to fit 2 of the platforms. Brass shims of varying thickness (150, 300, and 500 microm) were placed under one side of the bar to create misfit. A strain gage was used to record strain readings on top of the bar, one reading at first contact of the bar and one at maximum screw torque. Microgaps between the bar and the steel platforms were measured using a high-precision optical measuring device at 4 points around the platform. The experiment was repeated 3 times. Two-way analysis of variance and linear regression were used for statistical analyses. Shim thickness had a significant effect on strain (P < 0.0001). There was a significant positive correlation between shim thickness and strain (R(2) = 0.93) for strain at maximum torque, and for strain measurements at first contact (R(2) = 0.91). Microgap measurements showed no correlation with increasing misfit. Strain in the bar increased significantly with increasing levels of misfit. Strain measurements induced at maximum torque are not necessarily indicative of the maximum strains experienced by the bar. The presence or absence of a microgap between the bar and the platform is not necessarily indicative of passivity. These data suggest that microgap may not be clinically reliable as a measure of precision of fit.

Effect of tightening torque on the marginal adaptation of cement-retained implant-supported fixed dental prostheses

PubMed Central

Ghanbarzadeh, Jalil; Dashti, Hossin; Karamad, Reza; Alikhasi, Marzieh; Nakhaei, Mohammadreza

2015-01-01

Background: The final position of the abutment changes with the amount of tightening torque. This could eventually lead to loss of passivity and marginal misfit of prostheses. The aim of this study was to evaluate the effect of three different tightening torques on the marginal adaptation of 3-unit cement-retained implant-supported fixed dental prostheses (FDPs). Materials and Methods: Two implants (Straumann) were inserted in an acrylic block so that one of the implants was placed vertically and the other at a 15° vertical angle. A straight abutment and a 15° angulated abutment were connected to the vertically and obliquely installed implants, respectively, so that the two abutments were parallel. Then, 10 cement-retained FDPs were waxed and cast. Abutments were tightened with 10, 20, and 35 Ncm torques, respectively. Following each tightening torque, FDPs were luted on respective abutments with temporary cement. The marginal adaptation of the retainers was evaluated using stereomicroscope. FDPs were then removed from the abutments and were sectioned at the connector sites. The retainers were luted again on their respective abutments. Luting procedures and marginal adaptation measurement were repeated. Data were analyzed by ANOVA and least significant difference tests (α = 0.05). After cutting the FDP connectors, the independent samples t-test was used to compare misfit values (α = 0.05). Results: Following 10, 20, and 35 Ncm tightening torques, the marginal discrepancy of the retainers of FDPs significantly increased (P < 0.05). There was no significant difference between the marginal discrepancies of these two retainers (P > 0.05). The marginal gap values of angulated abutment retainers (ANRs) were significantly higher than those of the straight abutment after cutting the connectors (P = 0.026). Conclusion: Within the limitations of this study, the marginal misfit of cement-retained FDPs increased continuously when the tightening torque increased. After cutting the connectors, the marginal misfit of the ANRs was higher than those of the straight abutment retainers. PMID:26288627

Effect of tightening torque on the marginal adaptation of cement-retained implant-supported fixed dental prostheses.

PubMed

Ghanbarzadeh, Jalil; Dashti, Hossin; Karamad, Reza; Alikhasi, Marzieh; Nakhaei, Mohammadreza

2015-01-01

The final position of the abutment changes with the amount of tightening torque. This could eventually lead to loss of passivity and marginal misfit of prostheses. The aim of this study was to evaluate the effect of three different tightening torques on the marginal adaptation of 3-unit cement-retained implant-supported fixed dental prostheses (FDPs). Two implants (Straumann) were inserted in an acrylic block so that one of the implants was placed vertically and the other at a 15° vertical angle. A straight abutment and a 15° angulated abutment were connected to the vertically and obliquely installed implants, respectively, so that the two abutments were parallel. Then, 10 cement-retained FDPs were waxed and cast. Abutments were tightened with 10, 20, and 35 Ncm torques, respectively. Following each tightening torque, FDPs were luted on respective abutments with temporary cement. The marginal adaptation of the retainers was evaluated using stereomicroscope. FDPs were then removed from the abutments and were sectioned at the connector sites. The retainers were luted again on their respective abutments. Luting procedures and marginal adaptation measurement were repeated. Data were analyzed by ANOVA and least significant difference tests (α = 0.05). After cutting the FDP connectors, the independent samples t-test was used to compare misfit values (α = 0.05). Following 10, 20, and 35 Ncm tightening torques, the marginal discrepancy of the retainers of FDPs significantly increased (P < 0.05). There was no significant difference between the marginal discrepancies of these two retainers (P > 0.05). The marginal gap values of angulated abutment retainers (ANRs) were significantly higher than those of the straight abutment after cutting the connectors (P = 0.026). Within the limitations of this study, the marginal misfit of cement-retained FDPs increased continuously when the tightening torque increased. After cutting the connectors, the marginal misfit of the ANRs was higher than those of the straight abutment retainers.

Vertical misfit of laser-sintered and vacuum-cast implant-supported crown copings luted with definitive and temporary luting agents.

PubMed

Castillo-de-Oyagüe, Raquel; Sánchez-Turrión, Andrés; López-Lozano, José-Francisco; Albaladejo, Alberto; Torres-Lagares, Daniel; Montero, Javier; Suárez-García, Maria-Jesús

2012-07-01

This study aimed to evaluate the vertical discrepancy of implant-supported crown structures constructed with vacuum-casting and Direct Metal Laser Sintering (DMLS) technologies, and luted with different cement types. Crown copings were fabricated using: (1) direct metal laser sintered Co-Cr (LS); (2) vacuum-cast Co-Cr (CC); and (3) vacuum-cast Ti (CT). Frameworks were luted onto machined implant abutments under constant seating pressure. Each alloy group was randomly divided into 5 subgroups (n = 10 each) according to the cement system utilized: Subgroup 1 (KC) used resin-modified glass-ionomer Ketac Cem Plus; Subgroup 2 (PF) used Panavia F 2.0 dual-cure resin cement; Subgroup 3 (RXU) used RelyX Unicem 2 Automix self-adhesive dual-cure resin cement; Subgroup 4 (PIC) used acrylic/urethane-based temporary Premier Implant Cement; and Subgroup 5 (DT) used acrylic/urethane-based temporary DentoTemp cement. Vertical misfit was measured by scanning electron microscopy (SEM). Two-way ANOVA and Student-Newman-Keuls tests were run to investigate the effect of alloy/fabrication technique, and cement type on vertical misfit. The statistical significance was set at α = 0.05. The alloy/manufacturing technique and the luting cement affected the vertical discrepancy (p < 0.001). For each cement type, LS samples exhibited the best fit (p < 0.01) whereas CC and CT frames were statistically similar. Within each alloy group, PF and RXU provided comparably greater discrepancies than KC, PIC, and DT, which showed no differences. Laser sintering may be an alternative to vacuum-casting of base metals to obtain passive-fitting implant-supported crown copings. The best marginal adaptation corresponded to laser sintered structures luted with glass-ionomer KC, or temporary PIC or DT cements. The highest discrepancies were recorded for Co-Cr and Ti cast frameworks bonded with PF or RXU resinous agents. All groups were within the clinically acceptable misfit range.

Low-dislocation-density epitatial layers grown by defect filtering by self-assembled layers of spheres

DOEpatents

Wang, George T.; Li, Qiming

2013-04-23

A method for growing low-dislocation-density material atop a layer of the material with an initially higher dislocation density using a monolayer of spheroidal particles to bend and redirect or directly block vertically propagating threading dislocations, thereby enabling growth and coalescence to form a very-low-dislocation-density surface of the material, and the structures made by this method.

Effects of dislocations on polycrystal anelasticity

NASA Astrophysics Data System (ADS)

Sasaki, Y.; Takei, Y.; McCarthy, C.; Suzuki, A.

2017-12-01

Effects of dislocations on the seismic velocity and attenuation have been poorly understood, because only a few experimental studies have been performed [Guéguen et al., 1989; Farla et al., 2012]. By using organic borneol as a rock analogue, we measured dislocation-induced anelasticity accurately over a broad frequency range. We first measured the flow law of borneol aggregates by uniaxial compression tests under a confining pressure of 0.8 MPa. A transition from diffusion creep (n = 1) to dislocation creep (n = 5) was captured at about σ = 1 MPa (40°C-50°C). After deforming in the dislocation creep regime, sample microstructure showed irregular grain shape consistent with grain boundary migration. Next, we conducted three creep tests at σ = 0.27 MPa (diffusion creep regime), σ = 1.3 MPa and σ = 1.9 MPa (dislocation creep regime) on the same sample in increasing order, and measured Young's modulus E and attenuation Q-1 after each creep test by forced oscillation tests. The results show that as σ increased, E decreased and Q-1 increased. These changes induced by dislocations, however, almost fully recovered during the forced oscillation tests performed for about two weeks under a small stress (σ = 0.27 MPa) due to the dislocation recovery (annihilation). In order to constrain the time scale of the dislocation-induced anelastic relaxation, we further measured Young's modulus E at ultrasonic frequency before and after the dislocation creep and found that E at 106 Hz is not influenced by dislocations. Because E at 100 Hz is reduced by dislocations by 10%, the dislocation-induced anelastic relaxation occurs mostly between 102-106 Hz which is at a higher frequency than grain-boundary-induced anelasticity. To avoid dislocation recovery during the anelasticity measurement, we are now trying to perform an in-situ measurement of anelasticity while simultaneously deforming under a high stress associated with dislocation creep. The combination of persistent creep stress with small amplitude perturbations is similar to a seismic wave traveling through a region of active tectonic deformation.

Atomistic simulations of dislocation pileup: Grain boundaries interaction

DOE PAGES

Wang, Jian

2015-05-27

Here, using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to explore the influence of orientation relationship and interface structure on dislocation activities at grain boundaries. To mimic the reality of a dislocation pileup in a coarse-grained polycrystalline, we optimized the dislocation population in MD simulations and developed a predict-correct method to create a dislocation pileup in MD simulations. MD simulations explored several kinetic processes of dislocations–GB reactions: grain boundary sliding, grain boundary migration, slip transmission, dislocation reflection, reconstruction of grain boundary, and the correlation ofmore » these kinetic processes with the available slip systems across the GB and atomic structures of the GB.« less

Split and sealing of dislocated pipes at the front of a growing crystal

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Sheinerman, A. G.

2004-07-01

A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

Dislocation-Twin Boundary Interactions Induced Nanocrystalline via SPD Processing in Bulk Metals

NASA Astrophysics Data System (ADS)

Zhang, Fucheng; Feng, Xiaoyong; Yang, Zhinan; Kang, Jie; Wang, Tiansheng

2015-03-01

This report investigated dislocation-twin boundary (TB) interactions that cause the TB to disappear and turn into a high-angle grain boundary (GB). The evolution of the microstructural characteristics of Hadfield steel was shown as a function of severe plastic deformation processing time. Sessile Frank partial dislocations and/or sessile unit dislocations were formed on the TB through possible dislocation reactions. These reactions induced atomic steps on the TB and led to the accumulation of gliding dislocations at the TB, which resulted in the transition from coherent TB to incoherent GB. The factors that affect these interactions were described, and a physical model was established to explain in detail the feasible dislocation reactions at the TB.

Dislocation-twin boundary interactions induced nanocrystalline via SPD processing in bulk metals.

PubMed

Zhang, Fucheng; Feng, Xiaoyong; Yang, Zhinan; Kang, Jie; Wang, Tiansheng

2015-03-11

This report investigated dislocation-twin boundary (TB) interactions that cause the TB to disappear and turn into a high-angle grain boundary (GB). The evolution of the microstructural characteristics of Hadfield steel was shown as a function of severe plastic deformation processing time. Sessile Frank partial dislocations and/or sessile unit dislocations were formed on the TB through possible dislocation reactions. These reactions induced atomic steps on the TB and led to the accumulation of gliding dislocations at the TB, which resulted in the transition from coherent TB to incoherent GB. The factors that affect these interactions were described, and a physical model was established to explain in detail the feasible dislocation reactions at the TB.

Bilateral spontaneous crystalline lens dislocation to the anterior chamber: a case report.

PubMed

Jovanović, Milos

2013-01-01

There are various reasons for the lens dislocation. Spontaneous dislocation of a clear lens is extremely rare, especially its dislocation to the anterior chamber. The author presents a case of spontaneous clear lens dislocation to the anterior chamber in both eyes in a patient without the history of any trauma. Dislocation occurred spontaneously, first in the left eye, along with a sudden decrease of vision. The ophthalmologist found a clear lens in the anterior chamber, without any sign of an elevated intraocular pressure, as should have been expected. The dislocated lens was removed surgically (intracapsular extraction) with the preventive basal iridectomy. Two years later, the same happened in the right eye: clear lens moved spontaneously to the anterior chamber, with a decrease of vision, but again without any rise of intraocular pressure and/or any pain. Intracapsular extraction of the lens with basal iridectomy was done again. The presented case demonstrates that spontaneous dislocation of the transparent lens to the eye anterior chamber can occur in both eyes at different time intervals. We suggest the removal of dislocated lens in the anterior chamber by the intracapsular extraction.

Fast Fourier transform discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Graham, J. T.; Rollett, A. D.; LeSar, R.

2016-12-01

Discrete dislocation dynamics simulations have been generally limited to modeling systems described by isotropic elasticity. Effects of anisotropy on dislocation interactions, which can be quite large, have generally been ignored because of the computational expense involved when including anisotropic elasticity. We present a different formalism of dislocation dynamics in which the dislocations are represented by the deformation tensor, which is a direct measure of the slip in the lattice caused by the dislocations and can be considered as an eigenstrain. The stresses arising from the dislocations are calculated with a fast Fourier transform (FFT) method, from which the forces are determined and the equations of motion are solved. Use of the FFTs means that the stress field is only available at the grid points, which requires some adjustments/regularizations to be made to the representation of the dislocations and the calculation of the force on individual segments, as is discussed hereinafter. A notable advantage of this approach is that there is no computational penalty for including anisotropic elasticity. We review the method and apply it in a simple dislocation dynamics calculation.

Identical activation volumes of dislocation mobility in the [100](010) and [001](010) slip systems in natural olivine

NASA Astrophysics Data System (ADS)

Wang, Lin; Blaha, Stephan; Kawazoe, Takaaki; Miyajima, Nobuyoshi; Katsura, Tomoo

2017-03-01

Dislocation recovery experiments were performed on predeformed olivine single crystals at pressures of 2, 7 and 12 GPa and a constant temperature of 1650 K to determine the pressure dependence of the annihilation rate constants for [100](010) edge dislocation (a dislocation) and [001](010) screw dislocation (c dislocation). The constants of both types of dislocations are comparable within 0.3 orders of magnitude. The activation volumes of a and c dislocations are small and identical within error: 2.7 ± 0.2 and 2.5 ± 0.9 cm3/mol, respectively. These values are slightly larger and smaller than those of Si lattice and grain-boundary diffusions in olivine, respectively. The small and identical activation volumes for the a and c dislocations suggest that the pressure-induced fabric transition is unlikely in the asthenosphere. The decrease in seismic anisotropy with depth down in the asthenosphere may be caused by the fabric transition from A type or B type to AG type with decreasing stress with depth.

Full seismic waveform tomography for upper-mantle structure in the Australasian region using adjoint methods

NASA Astrophysics Data System (ADS)

Fichtner, Andreas; Kennett, Brian L. N.; Igel, Heiner; Bunge, Hans-Peter

2009-12-01

We present a full seismic waveform tomography for upper-mantle structure in the Australasian region. Our method is based on spectral-element simulations of seismic wave propagation in 3-D heterogeneous earth models. The accurate solution of the forward problem ensures that waveform misfits are solely due to as yet undiscovered Earth structure and imprecise source descriptions, thus leading to more realistic tomographic images and source parameter estimates. To reduce the computational costs, we implement a long-wavelength equivalent crustal model. We quantify differences between the observed and the synthetic waveforms using time-frequency (TF) misfits. Their principal advantages are the separation of phase and amplitude misfits, the exploitation of complete waveform information and a quasi-linear relation to 3-D Earth structure. Fréchet kernels for the TF misfits are computed via the adjoint method. We propose a simple data compression scheme and an accuracy-adaptive time integration of the wavefields that allows us to reduce the storage requirements of the adjoint method by almost two orders of magnitude. To minimize the waveform phase misfit, we implement a pre-conditioned conjugate gradient algorithm. Amplitude information is incorporated indirectly by a restricted line search. This ensures that the cumulative envelope misfit does not increase during the inversion. An efficient pre-conditioner is found empirically through numerical experiments. It prevents the concentration of structural heterogeneity near the sources and receivers. We apply our waveform tomographic method to ~1000 high-quality vertical-component seismograms, recorded in the Australasian region between 1993 and 2008. The waveforms comprise fundamental- and higher-mode surface and long-period S body waves in the period range from 50 to 200 s. To improve the convergence of the algorithm, we implement a 3-D initial model that contains the long-wavelength features of the Australasian region. Resolution tests indicate that our algorithm converges after around 10 iterations and that both long- and short-wavelength features in the uppermost mantle are well resolved. There is evidence for effects related to the non-linearity in the inversion procedure. After 11 iterations we fit the data waveforms acceptably well; with no significant further improvements to be expected. During the inversion the total fitted seismogram length increases by 46 per cent, providing a clear indication of the efficiency and consistency of the iterative optimization algorithm. The resulting SV-wave velocity model reveals structural features of the Australasian upper mantle with great detail. We confirm the existence of a pronounced low-velocity band along the eastern margin of the continent that can be clearly distinguished against Precambrian Australia and the microcontinental Lord Howe Rise. The transition from Precambrian to Phanerozoic Australia (the Tasman Line) appears to be sharp down to at least 200 km depth. It mostly occurs further east of where it is inferred from gravity and magnetic anomalies. Also clearly visible are the Archean and Proterozoic cratons, the northward continuation of the continent and anomalously low S-wave velocities in the upper mantle in central Australia. This is, to the best of our knowledge, the first application of non-linear full seismic waveform tomography to a continental-scale problem.

Patellofemoral Arthritis After Lateral Patellar Dislocation: A Matched Population-Based Analysis.

PubMed

Sanders, Thomas L; Pareek, Ayoosh; Johnson, Nicholas R; Stuart, Michael J; Dahm, Diane L; Krych, Aaron J

2017-04-01

The rate of patellofemoral arthritis after lateral patellar dislocation is unknown. Purpose/Hypothesis: The purpose of this study was to compare the risk of patellofemoral arthritis and knee arthroplasty between patients who experienced a lateral patellar dislocation and matched individuals without a patellar dislocation. Additionally, factors predictive of arthritis after patellar dislocation were examined. The hypothesis was that the rate of arthritis is likely higher among patients who experience a patellar dislocation compared with those who do not. Cohort study; Level of evidence, 3. In this study, 609 patients who had a first-time lateral patellar dislocation between 1990 and 2010 were compared with an age- and sex-matched cohort of patients who did not have a patellar dislocation. Medical records were reviewed to collect information related to the initial injury, recurrent dislocation, treatment, and progression to clinically significant patellofemoral arthritis (defined as symptoms with degenerative changes on patellar sunrise radiographs). Factors associated with arthritis (age, sex, recurrence, osteochondral injury, trochlear dysplasia) were examined. At a mean follow-up of 12.3 ± 6.5 years from initial dislocation, 58 patients (9.5%) in the dislocation cohort were diagnosed with patellofemoral arthritis, corresponding to a cumulative incidence of arthritis of 1.2% at 5 years, 2.7% at 10 years, 8.1% at 15 years, 14.8% at 20 years, and 48.9% at 25 years. In the control cohort, 8 patients (1.3%) were diagnosed with arthritis, corresponding to a cumulative incidence of arthritis of 0% at 5 years, 0% at 10 years, 1.3% at 15 years, 2.9% at 20 years, and 8.3% at 25 years. Therefore, patients who experienced a lateral patellar dislocation had a significantly higher risk of developing arthritis (hazard ratio [HR], 7.8; 95% CI, 3.9-17.6; P < .001) than individuals without a patellar dislocation. However, the risk of knee arthroplasty was similar between groups (HR, 2.8; 95% CI, 0.6-19.7; P = .2). Recurrent patellar dislocations (HR, 4.5; 95% CI, 1.6-12.6), osteochondral injury (HR, 11.3; 95% CI, 5.0-26.6), and trochlear dysplasia (HR, 3.6; 95% CI, 1.3-10.0) were associated with arthritis after patellar dislocation. Patellar dislocation is a significant risk factor for patellofemoral arthritis, as nearly half of patients have symptoms and radiographic changes consistent with arthritis at 25 years after lateral patellar dislocation. Osteochondral injury, recurrent patellar instability, and trochlear dysplasia are associated with the development of arthritis.

Analysis of the potential of near ground measurements of CO2 and CH4 in London, UK for the monitoring of city-scale emissions using an atmospheric transport model

NASA Astrophysics Data System (ADS)

Boon, A.; Broquet, G.; Clifford, D. J.; Chevallier, F.; Butterfield, D. M.; Pison, I.; Ramonet, M.; Paris, J. D.; Ciais, P.

2015-11-01

Carbon dioxide (CO2) and methane (CH4) mole fractions were measured at four near ground sites located in and around London during the summer of 2012 in view to investigate the potential of assimilating such measurements in an atmospheric inversion system for the monitoring of the CO2 and CH4 emissions in the London area. These data were analysed and compared with simulations using a modelling framework suited to building an inversion system: a 2 km horizontal resolution South of England configuration of the transport model CHIMERE driven by European Centre for Medium-Range Weather Forecasting (ECMWF) meteorological forcing, coupled to a 1 km horizontal resolution emission inventory (the UK National Atmospheric Emission Inventory). First comparisons reveal that local sources have a large impact on measurements and these local sources cannot be represented in the model at 2 km resolution. We evaluate methods to minimise some of the other critical sources of misfits between the observation data and the model simulation that overlap the signature of the errors in the emission inventory. These methods should make it easier to identify the corrections that should be applied to the inventory. Analysis is supported by observations from meteorological sites around the city and a three-week period of atmospheric mixing layer height estimations from lidar measurements. The difficulties of modelling the mixing layer depth and thus CO2 and CH4 concentrations during the night, morning and late afternoon led us to focus on the afternoon period for all further analyses. The misfits between observations and model simulations are high for both CO2 and CH4 (i.e., their root mean square (RMS) is between 8 and 12 parts per million (ppm) for CO2 and between 30 and 55 parts per billion (ppb) for CH4 at a given site). By analysing the gradients between the urban sites and a suburban or rural reference site, we are able to decrease the impact of uncertainties in the fluxes and transport outside the London area and in the model domain boundary conditions, and to better focus attention on the signature of London urban CO2 and CH4 emissions. This considerably improves the statistical agreement between the model and observations for CO2 (model-data RMS misfit of between 3 and 7 ppm) and to a lesser degree for CH4 (model-data RMS misfit of between 29 and 38 ppb). Between one of the urban sites and either reference site, selecting the gradients during periods wherein the reference site is upwind of the urban site further decreases the statistics of the misfits in general even though not systematically. In a final attempt to focus on the signature of the city anthropogenic emission in the mole fraction measurements, we use a theoretical ratio of gradients of CO to gradients of CO2 from fossil fuel emissions in the London area to diagnose observation based fossil fuel CO2 gradients, and compare them with the modelled ones. This estimate increases the consistency between the model and the measurements when considering one of the urban sites, but not when considering the other. While this study evaluates different approaches for increasing the consistency between the mesoscale model and the near ground data, and manages to decrease the random component of the analysed model data misfits to an extent that should not be prohibitive to extracting the signal from the London urban emissions, large biases remain in the final misfits. These biases are likely to be due to local emissions, to which the urban near ground sites are highly sensitive. This questions our current ability to exploit urban near ground data for the atmospheric inversion of city emissions based on models at spatial resolution coarser than 2 km.

Proceedings of the International Symposium on the Structure and Properties of Dislocations in Semiconductors (6th) held in Oxford (England) 5-8 April 1989: Structure and Properties of Dislocations in Semiconductors 1989

DTIC Science & Technology

1989-04-08

now good experimental data on the effects of impurities, including locking by non-electrical xii Preface impurities, and the effect of electrically... locks which result from the interaction of the gliding dislocations. As a matter of fact, these dislocation configurations look similar to those...loop on the go° partial. Structure of grain boundaries and dislocations 3 2.2. Lomer-Cottrell lock : a/2>. Two 60’ dislocations can react and give

Debye screening of dislocations.

PubMed

Groma, I; Györgyi, G; Kocsis, B

2006-04-28

Debye-like screening by edge dislocations of some externally given stress is studied by means of a variational approach to coarse grained field theory. Explicitly given are the force field and the induced geometrically necessary dislocation (GND) distribution, in the special case of a single glide axis in 2D, for (i) a single edge dislocation and (ii) a dislocation wall. Numerical simulation demonstrates that the correlation in relaxed dislocation configurations is in good agreement with the induced GND in case (i). Furthermore, the result (ii) well predicts the experimentally observed decay length for the GND developing close to grain boundaries.

Te homogeneous precipitation in Ge dislocation loop vicinity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perrin Toinin, J.; Portavoce, A., E-mail: alain.portavoce@im2np.fr; Texier, M.

2016-06-06

High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te{sup 2+} or Te{sup 1+} ions.

Mechanisms of strain accommodation in plastically-deformed zircon under simple shear deformation conditions during amphibolite-facies metamorphism

NASA Astrophysics Data System (ADS)

Kovaleva, Elizaveta; Klötzli, Urs; Wheeler, John; Habler, Gerlinde

2018-02-01

This study documents the strain accommodation mechanisms in zircon under amphibolite-facies metamorphic conditions in simple shear. Microstructural data from undeformed, fractured and crystal-plastically deformed zircon crystals are described in the context of the host shear zone, and evaluated in the light of zircon elastic anisotropy. Our work challenges the existing model of zircon evolution and shows previously undescribed rheological characteristics for this important accessory mineral. Crystal-plastically deformed zircon grains have axis oriented parallel to the foliation plane, with the majority of deformed grains having axis parallel to the lineation. Zircon accommodates strain by a network of stepped low-angle boundaries, formed by switching between tilt dislocations with the slip systems <100>{010} and < 1 bar 10>{110} and rotation axis [001], twist dislocations with the rotation axis [001], and tilt dislocations with the slip system <100>{001} and rotation axis [010]. The slip system < 1 bar 10>{110} is newly described for zircon. Most misorientation axes in plastically-deformed zircon grains are parallel to the XY plane of the sample and have [001] crystallographic direction. Such behaviour of strained zircon lattice is caused by elastic anisotropy that has a direct geometric control on the rheology, deformation mechanisms and dominant slip systems in zircon. Young's modulus and P wave velocity have highest values parallel to zircon [001] axis, indicating that zircon is elastically strong along this direction. Poisson ratio and Shear modulus demonstrate that zircon is also most resistant to shearing along [001]. Thus, [001] axis is the most common rotation axis in zircon. The described zircon behaviour is important to take into account during structural and geochronological investigations of (poly)metamorphic terrains. Geometry of dislocations in zircon may help reconstructing the geometry of the host shear zone(s), large-scale stresses in the crust, and, possibly, the timing of deformation, if the isotopic systems of deformed zircon were reset.

Study of the dislocation contribution to the internal friction background of gold

NASA Astrophysics Data System (ADS)

Baur, J.; Benoit, W.

1987-04-01

The dislocation contribution to the internal friction (IF) background is studied in annealed gold samples containing various dilute concentrations of platinum impurities. The measurements are performed in the kHz frequency range in order to determine the loss mechanism responsible for the high IF background observed at these low frequencies. To this end, the IF background was systematically measured as a function of frequency, vibration amplitude, temperature, and impurity concentration. The experimental results show that the high dislocation contribution observed in annealed samples is strain-amplitude independent for amplitudes in the range 10-7 to 2×10-6, but rapidly decreases for amplitudes smaller than 10-7. In particular, the dislocation contribution tends to zero when the strain amplitude tends to zero. Furthermore, this contribution is frequency independent. These observations demonstrate that the dislocation contribution cannot be explained by relaxations. In particular, this contribution cannot be attributed to a viscous damping of the dislocation motion. On the contrary, the experiments show that the IF background due to dislocations must be explained by hysteretic and athermal motions of dislocations interacting with point defects. However, these hysteretic motions are not due to breakaway of dislocations from pinning points distributed along their length. The experimental results can be explained by the presence of point defects close to the dislocations, but not on them. The mechanical energy loss is attributed to hysteretic motions of dislocations between potential minima created by point defects.

Prediction of dislocation generation during Bridgman growth of GaAs crystals

NASA Technical Reports Server (NTRS)

Tsai, C. T.; Yao, M. W.; Chait, Arnon

1992-01-01

Dislocation densities are generated in GaAs single crystals due to the excessive thermal stresses induced by temperature variations during growth. A viscoplastic material model for GaAs, which takes into account the movement and multiplication of dislocations in the plastic deformation, is developed according to Haasen's theory. The dislocation density is expressed as an internal state variable in this dynamic viscoplastic model. The deformation process is a nonlinear function of stress, strain rate, dislocation density and temperature. The dislocation density in the GaAs crystal during vertical Bridgman growth is calculated using a nonlinear finite element model. The dislocation multiplication in GaAs crystals for several temperature fields obtained from thermal modeling of both the GTE GaAs experimental data and artificially designed data are investigated.

Prediction of dislocation generation during Bridgman growth of GaAs crystals

NASA Astrophysics Data System (ADS)

Tsai, C. T.; Yao, M. W.; Chait, Arnon

1992-11-01

Dislocation densities are generated in GaAs single crystals due to the excessive thermal stresses induced by temperature variations during growth. A viscoplastic material model for GaAs, which takes into account the movement and multiplication of dislocations in the plastic deformation, is developed according to Haasen's theory. The dislocation density is expressed as an internal state variable in this dynamic viscoplastic model. The deformation process is a nonlinear function of stress, strain rate, dislocation density and temperature. The dislocation density in the GaAs crystal during vertical Bridgman growth is calculated using a nonlinear finite element model. The dislocation multiplication in GaAs crystals for several temperature fields obtained from thermal modeling of both the GTE GaAs experimental data and artificially designed data are investigated.

Movement of basal plane dislocations in GaN during electron beam irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yakimov, E. B.; National University of Science and Technology MISiS, Leninskiy pr. 4, Moscow 119049; Vergeles, P. S.

The movement of basal plane segments of dislocations in low-dislocation-density GaN films grown by epitaxial lateral overgrowth as a result of irradiation with the probing beam of a scanning electron microscope was detected by means of electron beam induced current. Only a small fraction of the basal plane dislocations was susceptible to such changes and the movement was limited to relatively short distances. The effect is explained by the radiation enhanced dislocation glide for dislocations pinned by two different types of pinning sites: a low-activation-energy site and a high-activation-energy site. Only dislocation segments pinned by the former sites can bemore » moved by irradiation and only until they meet the latter pinning sites.« less

Removal of restrictions following primary THA with posterolateral approach does not increase the risk of early dislocation.

PubMed

Gromov, Kirill; Troelsen, Anders; Otte, Kristian Stahl; Ørsnes, Thue; Ladelund, Steen; Husted, Henrik

2015-01-01

Patient education and mobilization restrictions are often used in an attempt to reduce the risk of dislocation following primary THA. To date, there have been no studies investigating the safety of removal of mobilization restrictions following THA performed using a posterolateral approach. In this retrospective non-inferiority study, we investigated the rate of early dislocation following primary THA in an unselected patient cohort before and after removal of postoperative mobilization restrictions. From the Danish National Health Registry, we identified patients with early dislocation in 2 consecutive and unselected cohorts of patients who received primary THA at our institution from 2004 through 2008 (n = 946) and from 2010 through 2014 (n = 1,329). Patients in the first cohort were mobilized with functional restrictions following primary THA whereas patients in the second cohort were allowed unrestricted mobilization. Risk of early dislocation (within 90 days) was compared in the 2 groups and odds ratio (OR)-adjusted for possible confounders-was calculated. Reasons for early dislocation in the 2 groups were identified. When we adjusted for potential confounders, we found no increased risk of early dislocation within 90 days in patients who were mobilized without restrictions. Risk of dislocation within 90 days was lower (3.4% vs 2.8%), risk of dislocation within 30 days was lower (2.1% vs 2.0%), and risk of multiple dislocations (1.8% vs 1.1%) was lower in patients who were mobilized without restrictions, but not statistically significantly so. Increasing age was an independent risk factor for dislocation. Removal of mobilization restrictions from the mobilization protocol following primary THA performed with a posterolateral approach did not lead to an increased risk of dislocation within 90 days.

Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations

DOE PAGES

Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; ...

2018-02-05

In this paper, we provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a 'dislon'. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories aremore » derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation's long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials' functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.« less

Theory of electron–phonon–dislon interacting system—toward a quantized theory of dislocations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping

In this paper, we provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a 'dislon'. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron–dislocation and phonon–dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories aremore » derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron–phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation's long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials' functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.« less

Computational issues in the simulation of two-dimensional discrete dislocation mechanics

NASA Astrophysics Data System (ADS)

Segurado, J.; LLorca, J.; Romero, I.

2007-06-01

The effect of the integration time step and the introduction of a cut-off velocity for the dislocation motion was analysed in discrete dislocation dynamics (DD) simulations of a single crystal microbeam. Two loading modes, bending and uniaxial tension, were examined. It was found that a longer integration time step led to a progressive increment of the oscillations in the numerical solution, which would eventually diverge. This problem could be corrected in the simulations carried out in bending by introducing a cut-off velocity for the dislocation motion. This strategy (long integration times and a cut-off velocity for the dislocation motion) did not recover, however, the solution computed with very short time steps in uniaxial tension: the dislocation density was overestimated and the dislocation patterns modified. The different response to the same numerical algorithm was explained in terms of the nature of the dislocations generated in each case: geometrically necessary in bending and statistically stored in tension. The evolution of the dislocation density in the former was controlled by the plastic curvature of the beam and was independent of the details of the simulations. On the contrary, the steady-state dislocation density in tension was determined by the balance between nucleation of dislocations and those which are annihilated or which exit the beam. Changes in the DD imposed by the cut-off velocity altered this equilibrium and the solution. These results point to the need for detailed analyses of the accuracy and stability of the dislocation dynamic simulations to ensure that the results obtained are not fundamentally affected by the numerical strategies used to solve this complex problem.