Effect of copper on the recombination activity of extended defects in silicon

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

Feklisova, O. V., E-mail: feklisov@iptm.ru; Yakimov, E. B.

2015-06-15

The effect of copper atoms introduced by high-temperature diffusion on the recombination properties of dislocations and dislocation trails in p-type single-crystal silicon is studied by the electron-beam-induced current technique. It is shown that, in contrast to dislocations, dislocation trails exhibit an increase in recombination activity after the introduction of copper. Bright contrast appearance in the vicinity of dislocation trails is detected after the diffusion of copper and quenching of the samples. The contrast depends on the defect density in these trails.

Role Of Impurities On Deformation Of HCP Crystal: A Multi-Scale Approach

NASA Astrophysics Data System (ADS)

Bhatia, Mehul Anoopkumar

Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10- 10}) or activates another slip system ((0001), {10-11}). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.

Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon

NASA Astrophysics Data System (ADS)

Ziebarth, Benedikt; Mrovec, Matous; Elsässer, Christian; Gumbsch, Peter

2015-09-01

The efficiency of silicon (Si)-based solar cells is strongly affected by crystal defects and impurities. Metallic impurities, in particular interstitial iron (Fe) atoms, cause large electric losses because they act as recombination centers for photogenerated charge carriers. Here, we present a systematic first-principles density functional theory (DFT) study focusing on the influence of hydrostatic, uniaxial, and shear strains on the thermodynamic stability and the diffusivity of Fe impurities in crystalline Si. Our calculations show that the formation energy of neutral Fe interstitials in tetrahedral interstitial sites is almost unaffected by uniform deformations of the Si crystal up to strains of 5%. In contrast, the migration barrier varies significantly with strain, especially for hydrostatic deformation. In order to determine effective diffusion coefficients for different strain states, a kinetic Monte Carlo (kMC) model was set up based on the activation energy barriers and frequency factors obtained from the DFT simulations. By using the strain dependence of the migration barrier, we examined the migration of Fe interstitials in the vicinity of perfect 1 /2 <110 > screw and 60∘ mixed dislocations, and 1 /6 <112 > 90∘ and 30∘ partial dislocations. While the strain field of the perfect screw dislocation always enhances the local Fe diffusion, the existence of tensile and compressive regions around the 60∘ mixed dislocation results in a strong anisotropic diffusion profile with significantly faster and slower diffusivities on its tensile and compressive sides. The influences of the partial dislocations are qualitatively similar to that of the 60∘ mixed dislocation.

Performance of a low-pressure-ratio centrifugal compressor with four diffuser designs

NASA Technical Reports Server (NTRS)

Klassen, H. A.

1973-01-01

A low-pressure-ratio centrifugal compressor was tested with four different diffuser configurations. One diffuser had airfoil vanes. Two were pipe diffusers. One pipe diffuser had 7.5 deg cone diffusing passages. The other had trumpet-shaped passages designed for linear static-pressure rise from throat to exit. The fourth configuration had flat vanes with elliptical leading edges similar to those of pipe diffusers. The side walls were contoured to produce a linear pressure rise. Peak compressor efficiencies were 0.82 with the airfoil vane and conical pipe diffusers, 0.80 with the trumpet, and 0.74 with the flat-vane design. Surge margin and useful range were greater for the airfoil-vane diffuser than for the other three.

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.

Evolution of Radiation Induced Defects in SiC: A Multiscale Simulation Approach

NASA Astrophysics Data System (ADS)

Jiang, Hao

Because of various excellent properties, SiC has been proposed for many applications in nuclear reactors including cladding layers in fuel rod, fission products container in TRISO fuel, and first wall/blanket in magnetic controlled fusion reactors. Upon exposure to high energy radiation environments, point defects and defect clusters are generated in materials in amounts significantly exceeding their equilibrium concentrations. The accumulation of defects can lead to undesired consequences such as crystalline-to-amorphous transformation1, swelling, and embrittlement, and these phenomena can adversely affect the lifetime of SiC based components in nuclear reactors. It is of great importance to understand the accumulation process of these defects in order to estimate change in properties of this material and to design components with superior ability to withstand radiation damages. Defect clusters are widely in SiC irradiated at the operation temperatures of various reactors. These clusters are believed to cause more than half of the overall swelling of irradiated SiC and can potentially lead to lowered thermal conductivity and mechanical strength. It is critical to understand the formation and growth of these clusters. Diffusion of these clusters is one importance piece to determine the growth rate of clusters; however it is unclear so far due to the challenges in simulating rare events. Using a combination of kinetic Activation Relaxation Technique with empirical potential and ab initio based climbing image nudged elastic band method, I performed an extensive search of the migration paths of the most stable carbon tri-interstitial cluster in SiC. This research reveals paths with the lowest energy barriers to migration, rotation, and dissociation of the most stable cluster. Based on these energy barriers, I concluded defect clusters are thermally immobile at temperatures lower than 1500 K and can dissociate into smaller clusters and single interstitials at temperatures beyond that. Even though clusters cannot diffuse by thermal vibrations, we found they can migrate at room temperature under the influence of electron radiation. This is the first direct observation of radiation-induced diffusion of defect clusters in bulk materials. We show that the underlying mechanism of this athermal diffusion is elastic collision between incoming electrons and cluster atoms. Our findings suggest that defect clusters may be mobile under certain irradiation conditions, changing current understanding of cluster annealing process in irradiated SiC. With the knowledge of cluster diffusion in SiC demonstrated in this thesis, we now become able to predict cluster evolution in SiC with good agreement with experimental measurements. This ability can enable us to estimate changes in many properties of irradiated SiC relevant for its applications in reactors. Internal interfaces such as grain boundaries can behave as sinks to radiation induced defects. The ability of GBs to absorb, transport, and annihilate radiation-induced defects (sink strength) is important to understand radiation response of polycrystalline materials and to better design interfaces for improved resistance to radiation damage. Nowadays, it is established GBs' sink strength is not a static property but rather evolves with many factors, including radiation environments, grain size, and GB microstructure. In this thesis, I investigated the response of small-angle tilt and twist GBs to point defects fluxes in SiC. First of all, I found the pipe diffusion of interstitials in tilt GBs is slower than bulk diffusion. This is because the increased interatomic distance at dislocation cores raises the migration barrier of interstitial dumbbells. Furthermore, I show that both the annihilation of interstitials at jogs and jog nucleation from clusters are diffusion-controlled and can occur under off-stoichiometric interstitial fluxes. Finally, a dislocation line model is developed to predict the role of tilt GBs in annihilating radiation damage. The model predicts the role of tilt GBs in annihilating defects depends on the rate of defects segregation to and diffusion along tilt GBs. Tilt GBs mainly serve as diffusion channel for defects to reach other sinks when defect diffusivity is high at boundaries. When defect diffusivity is low, most of the defects segregated to tilt GBs are annihilated by dislocation climb. Up-to-date, the response of twist GBs under irradiation has been rarely reported in literature and is still unclear. It is important to develop atom scale insight on this question in order to predict twist GBs' sink strength for a better understanding of radiation response of polycrystalline materials. By using a combination of molecular dynamics and grand canonical Monte Carlo, here I demonstrate the defect kinetics in {001} and {111} twist GBs and the microstructural evolution of these GBs under defect fluxes in SiC. I found due to the deep potential well for interstitials at dislocation intersections within the interface, the mobility of defects on dislocation grid is retard and this leads to defect accumulation at GBs for many cases. Furthermore, I conclude both types of twist GBs have to form mixed dislocations with edge component in order to absorb accumulated interstitials at the interface. The formation of mixed dislocation is either by interstitial loop nucleation or by dislocation reactions at the interface. The continuous formation and climb of these mixed dislocations make twist GBs unsaturatable sinks to radiation induced defects.

Dislocations Accelerate Oxygen Ion Diffusion in La 0.8Sr 0.2MnO 3 Epitaxial Thin Films

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

Navickas, Edvinas; Chen, Yan; Lu, Qiyang

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO 3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO 3 and SrTiO 3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced bymore » dislocations, especially in the LSM films on LaAlO 3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO 3. In conclusion, the diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk.« less

Dislocations Accelerate Oxygen Ion Diffusion in La0.8Sr0.2MnO3 Epitaxial Thin Films

PubMed Central

2017-01-01

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO3 and SrTiO3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced by dislocations, especially in the LSM films on LaAlO3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO3. The diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk. PMID:28981249

Dislocations Accelerate Oxygen Ion Diffusion in La 0.8Sr 0.2MnO 3 Epitaxial Thin Films

DOE PAGES

Navickas, Edvinas; Chen, Yan; Lu, Qiyang; ...

2017-10-05

Revealing whether dislocations accelerate oxygen ion transport is important for providing abilities in tuning the ionic conductivity of ceramic materials. In this study, we report how dislocations affect oxygen ion diffusion in Sr-doped LaMnO 3 (LSM), a model perovskite oxide that serves in energy conversion technologies. LSM epitaxial thin films with thicknesses ranging from 10 nm to more than 100 nm were prepared by pulsed laser deposition on single-crystal LaAlO 3 and SrTiO 3 substrates. The lattice mismatch between the film and substrates induces compressive or tensile in-plane strain in the LSM layers. This lattice strain is partially reduced bymore » dislocations, especially in the LSM films on LaAlO 3. Oxygen isotope exchange measured by secondary ion mass spectrometry revealed the existence of at least two very different diffusion coefficients in the LSM films on LaAlO 3. In conclusion, the diffusion profiles can be quantitatively explained by the existence of fast oxygen ion diffusion along threading dislocations that is faster by up to 3 orders of magnitude compared to that in LSM bulk.« less

The Effect of Tempering Process on Microstructural Characteristics and Mechanical Properties of Induction Bend Pipe

NASA Astrophysics Data System (ADS)

Yu, Hao; Zhou, Tao

The heat treatment during manufacturing process of induction bend pipe had been simulated. The evolutions of ferrite, M/A island and substructure after tempering at 500 700 °C were characterized by means of optical microscopy, positron annihilation technique, SEM, TEM, XRD and EBSD. The mechanical performance was evaluated by tensile test, Charpy V-notch impact test (-20 °C) and Vickers hardness test (10 kgf). Microstructure observations showed that fine and homogenous M/A islands as well as dislocation packages in quasi-polygonal ferrite matrix after tempering at 600 650 °C generated optimal combination of strength and toughness. After tempering at 700 °C, the yield strength decreased dramatically. EBSD analysis indicated that the effective grain size diminished with the tempering temperature increasing. It could cause more energy cost during microcrack propagation process with subsequent improvement in impact toughness. Dislocation analysis suggested that the decrease and pile-up of dislocation benefited the combination of strength and toughness.

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.

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.

Heat treatment of investment cast PH 13-8 Mo stainless steel: Part II. Isothermal aging kinetics

NASA Astrophysics Data System (ADS)

Robino, C. V.; Cieslak, M. J.; Hochanadel, P. W.; Edwards, G. R.

1994-04-01

The hardening response of investment cast PH 13-8 Mo stainless steel has been evaluated by hardness measurements following aging in the temperature range normally specified for this alloy (510 °C to 593 °C). A new relationship between fraction transformed and hardness was developed, and analysis of the data in terms of the kinetics of precipitation, in a manner similar to that frequently applied to other precipitation-hardenable martensitic steels, yielded low time exponents and a low value for the apparent activation energy. The values of the time exponents were 0.49, 0.37, 0.56, and 0.53 at 510 °C, 538 °C, 566 °C, and 593 °C, respectively, and that for the apparent activation energy was 139 kJ/mole. As has been proposed for other maraging type steels, these estimates suggest that Β-NiAl precipitates along or near dislocations and that growth of the precipitates is dominated by dislocation pipe diffusion. However, these predictions were neither supported nor refuted by transmission electron microscopy (TEM) because of difficulties in imaging the Β-NiAl precipitates at the aging times and temperatures used. Further, analysis of the data using the formalism of Wert and Zener for the growth of precipitates with interfering diffusion fields indicated that the estimates of fraction transformed from hardness data are not fully appropriate for maraging type steels. Consideration of the nature of the Avrami analysis and the electron microscopy results suggests that other phenomena, including dislocation recovery and reversion of martensite to austenite, occur at rates sufficient to convolute the Avrami analysis. It is further suggested that these results cast doubt on the fundamental implications of previous analyses of precipitation kinetics in age-hardening martensitic steels. Although the Avrami analysis was found not to provide a tenable description of the precipitation kinetics, it does provide a reasonable methodology for portrayal of the hardening response of PH 13-8 Mo stainless steel.

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

Hydrogenated vacancies lock dislocations in aluminium

PubMed Central

Xie, Degang; Li, Suzhi; Li, Meng; Wang, Zhangjie; Gumbsch, Peter; Sun, Jun; Ma, Evan; Li, Ju; Shan, Zhiwei

2016-01-01

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ∼103 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking and strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. Vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment. PMID:27808099

Accumulation of dislocation loops in the α phase of Zr Excel alloy under heavy ion irradiation

NASA Astrophysics Data System (ADS)

Yu, Hongbing; Yao, Zhongwen; Idrees, Yasir; Zhang, He K.; Kirk, Mark A.; Daymond, Mark R.

2017-08-01

In-situ heavy ion irradiations were performed on the high Sn content Zr alloy 'Excel', measuring type dislocation loop accumulation up to irradiation damage doses of 10 dpa at a range of temperatures. The high content of Sn, which diffuses slowly, and the thin foil geometry of the sample provide a unique opportunity to study an extreme case where displacement cascades dominate the loop formation and evolution. The dynamic observation of dislocation loop evolution under irradiation at 200 °C reveals that type dislocation loops can form at very low dose (0.0025 dpa). The size of the dislocation loops increases slightly with irradiation damage dose. The mechanism controlling loop growth in this study is different from that in neutron irradiation; in this study, larger dislocation loops can condense directly from the interaction of displacement cascades and the high concentration of point defects in the matrix. The size of the dislocation loop is dependent on the point defect concentration in the matrix. A negative correlation between the irradiation temperature and the dislocation loop size was observed. A comparison between cascade dominated loop evolution (this study), diffusion dominated loop evolution (electron irradiation) and neutron irradiation suggests that heavy ion irradiation alone may not be enough to accurately reproduce neutron irradiation induced loop structures. An alternative method is proposed in this paper. The effects of Sn on the displacement cascades, defect yield, and the diffusion behavior of point defects are established.

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.

Hydrogenated vacancies lock dislocations in aluminium

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

Xie, Degang; Li, Suzhi; Li, Meng

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ~10 3 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking andmore » strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. In conclusion, vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment.« less

Hydrogenated vacancies lock dislocations in aluminium

DOE PAGES

Xie, Degang; Li, Suzhi; Li, Meng; ...

2016-11-03

Due to its high diffusivity, hydrogen is often considered a weak inhibitor or even a promoter of dislocation movements in metals and alloys. By quantitative mechanical tests in an environmental transmission electron microscope, here we demonstrate that after exposing aluminium to hydrogen, mobile dislocations can lose mobility, with activating stress more than doubled. On degassing, the locked dislocations can be reactivated under cyclic loading to move in a stick-slip manner. However, relocking the dislocations thereafter requires a surprisingly long waiting time of ~10 3 s, much longer than that expected from hydrogen interstitial diffusion. Both the observed slow relocking andmore » strong locking strength can be attributed to superabundant hydrogenated vacancies, verified by our atomistic calculations. In conclusion, vacancies therefore could be a key plastic flow localization agent as well as damage agent in hydrogen environment.« less

Atomistic Modeling of Diffusion and Phase Transformations in Metals and Alloys

NASA Astrophysics Data System (ADS)

Purja Pun, Ganga Prasad

Dissertation consists of multiple works. The first part is devoted to self-diffusion along dislocation cores in aluminum followed by the development of embedded atom method potentials for Co, NiAl, CoAl and CoNi systems. The last part focuses on martensitic phase transformation (MPT) in Ni xAl1--x and Al xCoyNi1-- x--y alloys. New calculation methods were developed to predict diffusion coefficients in metal as functions of temperature. Self-diffusion along screw and edge dislocations in aluminum was studied by molecular dynamic (MD) simulations. Three types of simulations were performed with and without (intrinsic) pre-existing vacancies and interstitials in the dislocation core. We found that the diffusion along the screw dislocation was dominated by the intrinsic mechanism, whereas the diffusion along the edge dislocation was dominated by the vacancy mechanism. The diffusion along the screw dislocation was found to be significantly faster than the diffusion along the edge dislocation, and the both diffusivities were in reasonable agreement with experimental data. The intrinsic diffusion mechanism can be associated with the formation of dynamic Frenkel pairs, possibly activated by thermal jogs and/or kinks. The simulations show that at high temperatures the dislocation core becomes an effective source/sink of point defects and the effect of pre-existing defects on the core diffusivity diminishes. First and the foremost ingredient needed in all atomistic computer simulations is the description of interaction between atoms. Interatomic potentials for Co, NiAl, CoAl and CoNi systems were developed within the Embedded Atom Method (EAM) formalism. The binary potentials were based on previously developed accurate potentials for pure Ni and pure Al and pure Co developed in this work. The binaries constitute a version of EAM potential of AlCoNi ternary system. The NiAl potential accurately reproduces a variety of physical properties of the B2-NiAl and L12--Ni3Al phases. The potential is expected to be especially suitable for simulations of hetero-phase interfaces and mechanical behavior of NiAl alloys. Apart from properties of the HCP Co, the new Co potential is accurate enough to reproduce several properties of the FCC Co which were not included in the potential fit. It shows good transferability property. The CoAl potential was fitted to the properties of B2-CoAl phase as in the NiAl fitting where as the NiCo potential was fitted to the ab initio formation energies of some imaginary phases and structures. Effect of chemical composition and uniaxial mechanical stresses was studied on the martensitic phase transformation in B2 type Ni-rich NiAl and AlCoNi alloys. The martensitic phase has a tetragonal crystal structure and can contain multiple twins arranged in domains and plates. The twinned martensites were always formed under the uniaxial compression where as the single variant martensites were the results of the uniaxial tension. The transformation was reversible and characterized by a significant temperature hysteresis. The magnitude of the hysteresis depends on the chemical composition and stress.

Measurement of Rapid Protein Diffusion in the Cytoplasm by Photo-Converted Intensity Profile Expansion.

PubMed

Gura Sadovsky, Rotem; Brielle, Shlomi; Kaganovich, Daniel; England, Jeremy L

2017-03-14

The fluorescence microscopy methods presently used to characterize protein motion in cells infer protein motion from indirect observables, rather than measuring protein motion directly. Operationalizing these methods requires expertise that can constitute a barrier to their broad utilization. Here, we have developed PIPE (photo-converted intensity profile expansion) to directly measure the motion of tagged proteins and quantify it using an effective diffusion coefficient. PIPE works by pulsing photo-convertible fluorescent proteins, generating a peaked fluorescence signal at the pulsed region, and analyzing the spatial expansion of the signal. We demonstrate PIPE's success in measuring accurate diffusion coefficients in silico and in vitro and compare effective diffusion coefficients of native cellular proteins and free fluorophores in vivo. We apply PIPE to measure diffusion anomality in the cell and use it to distinguish free fluorophores from native cellular proteins. PIPE's direct measurement and ease of use make it appealing for cell biologists. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Effect of substrate dislocations on the Hg in-diffusion in CdZnTe substrates used for HgCdTe epilayer growth

NASA Astrophysics Data System (ADS)

Kumar, Shiv; Kapoor, A. K.; Nagpal, A.; Sharma, S.; Verma, D.; Kumar, A.; Raman, R.; Basu, P. K.

2006-12-01

Chemical-etched HgCdTe epilayers grown onto CdZnTe substrates have been studied using defect etching and EDS on cleaved (1 1 0) face. Formation of etch pits and mercury (Hg) in-diffusion into CZT substrate has been correlated with the substrate quality i.e. the presence of dislocations around second phase inclusions. That the Hg in-diffusion takes place through these dislocations is authenticated by the presence of Te-inclusions in substrates where large density of etch pits are revealed after chemical etching. X-ray rocking curve measurements were carried out to reveal crystalline quality of the substrates. FTIR spectroscopy indicates low transmission values and absence of interference fringes in MCT epilayers with large Hg diffusion. Hg diffusion into CZT substrate upto 25 μm in samples with low FWHM values and upto 250 μm in samples with multiple peaks and high FWHM values was observed.

Mesoscale modeling of vacancy-mediated Si segregation near an edge dislocation in Ni under irradiation

NASA Astrophysics Data System (ADS)

Li, Zebo; Trinkle, Dallas R.

2017-04-01

We use a continuum method informed by transport coefficients computed using self-consistent mean field theory to model vacancy-mediated diffusion of substitutional Si solutes in FCC Ni near an a/2 [1 1 ¯0 ] (111 ) edge dislocation. We perform two sequential simulations: first under equilibrium boundary conditions and then under irradiation. The strain field around the dislocation induces heterogeneity and anisotropy in the defect transport properties and determines the steady-state vacancy and Si distributions. At equilibrium both vacancies and Si solutes diffuse to form Cottrell atmospheres with vacancies accumulating in the compressive region above the dislocation core while Si segregates to the tensile region below the core. Irradiation raises the bulk vacancy concentration, driving vacancies to flow into the dislocation core. The out-of-equilibrium vacancy fluxes drag Si atoms towards the core, causing segregation to the compressive region, despite Si being an oversized solute in Ni.

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

Exciton dynamics at a single dislocation in GaN probed by picosecond time-resolved cathodoluminescence

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

Liu, W., E-mail: we.liu@epfl.ch, E-mail: gwenole.jacopin@epfl.ch; Carlin, J.-F.; Grandjean, N.

2016-07-25

We investigate the dynamics of donor bound excitons (D°X{sub A}) at T = 10 K around an isolated single edge dislocation in homoepitaxial GaN, using a picosecond time-resolved cathodoluminescence (TR-CL) setup with high temporal and spatial resolutions. An ∼ 1.3 meV dipole-like energy shift of D°X{sub A} is observed around the dislocation, induced by the local strain fields. By simultaneously recording the variations of both the exciton lifetime and the CL intensity across the dislocation, we directly assess the dynamics of excitons around the defect. Our observations are well reproduced by a diffusion model. It allows us to deduce an exciton diffusion length ofmore » ∼24 nm as well as an effective area of the dislocation with a radius of ∼95 nm, where the recombination can be regarded as entirely non-radiative.« less

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

NASA Astrophysics Data System (ADS)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal structures and their diffusion coefficients calculated. Good agreement is found with the dislocation pipe model for tilt boundary diffusion.

3-D Spherical Convection Modeling Applied to Mercury: Dislocation Versus Diffusion Rheology

NASA Astrophysics Data System (ADS)

Robertson, S. D.; King, S. D.

2016-12-01

Mercury is the smallest among the terrestrial planets and, prior to NASA's MESSENGER mission was thought to be the least tectonically and volcanically active body. Gravity and moment of inertia from MESSENGER constrain Mercury to have a thin silicate mantle shell of approximately 400 km over a massive iron core. This mantle is thinner than previously thought and the smallest end-member in comparison with the other terrestrial planets. Although Mercury currently has a stagnant lid and the present day mantle is likely not convecting, a significant proportion of Mercury's surface features could have been derived from convection in the viscous mantle. Given Mercury's small size, the amount of volcanism and tectonic activity was a surprise. We investigate the effect of dislocation creep rheology in olivine on the dynamics of Mercury. At the pressures and temperatures of Mercury's mantle, laboratory creep studies indicate that olivine deforms by dislocation creep. Previous studies using diffusion creep rheology find that the thin mantle shell of Mercury quickly becomes diffusive and, this is difficult to reconcile with the surface observations. We use the three-dimensional spherical code, CitcomS, to compare numerical models with both dislocation and diffusion creep. We compare gravity, topography, and mantle temperature as a function of time from the models with constraints on the timing of volcanic and tectonic activity on Mercury. The results show that with the dislocation creep mechanism, there is potential for convective flow in the mantle over billions of years. In contrast, models with the diffusion creep mechanism start with a convecting mantle that transitions to global diffusive cooling within 500 Myrs. Diffusion creep rheology does not adequately produce a dynamic interior that is consistent with the historical volcanic and tectonic evolution of the planet. This research is the result of participation in GLADE, a nine-week summer REU program directed by Dave Stegman (SIO/UCSD).

Crystal defect studies using x-ray diffuse scattering

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

Larson, B.C.

1980-01-01

Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation intomore » dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.« less

Stress studies in edge-defined film-fed growth of silicon ribbons

NASA Technical Reports Server (NTRS)

Kalejs, J.

1985-01-01

Stress and efficiency studies on sheet silicon are reported. It was found that the bulk diffusion length of stressed float zone and Czochralski silicon is limited by point defect recombination to about 20 micrometers in dislocation free regions after high temperature heat treatment and stress application. If in-diffusion by iron occurs, dislocations, carbon and oxygen, do not produce significant gettering with annealing. Further work ideas are suggested.

Inferring nonlinear mantle rheology from the shape of the Hawaiian swell.

PubMed

Asaadi, N; Ribe, N M; Sobouti, F

2011-05-26

The convective circulation generated within the Earth's mantle by buoyancy forces of thermal and compositional origin is intimately controlled by the rheology of the rocks that compose it. These can deform either by the diffusion of point defects (diffusion creep, with a linear relationship between strain rate and stress) or by the movement of intracrystalline dislocations (nonlinear dislocation creep). However, there is still no reliable map showing where in the mantle each of these mechanisms is dominant, and so it is important to identify regions where the operative mechanism can be inferred directly from surface geophysical observations. Here we identify a new observable quantity--the rate of downstream decay of the anomalous seafloor topography (swell) produced by a mantle plume--which depends only on the value of the exponent in the strain rate versus stress relationship that defines the difference between diffusion and dislocation creep. Comparison of the Hawaiian swell topography with the predictions of a simple fluid mechanical model shows that the swell shape is poorly explained by diffusion creep, and requires a dislocation creep rheology. The rheology predicted by the model is reasonably consistent with laboratory deformation data for both olivine and clinopyroxene, suggesting that the source of Hawaiian lavas could contain either or both of these components.

Solute segregation kinetics and dislocation depinning in a binary alloy

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2015-06-01

Static strain aging, a phenomenon caused by diffusion of solute atoms to dislocations, is an important contributor to the strength of substitutional alloys. Accurate modeling of this complex process requires both atomic spatial resolution and diffusional time scales, which is very challenging to achieve with commonly used atomistic computational methods. In this paper, we use the recently developed "diffusive molecular dynamics" (DMD) method that is capable of describing the kinetics of the solute segregation process at the atomic level while operating on diffusive time scales in a computationally efficient way. We study static strain aging in the Al-Mg system and calculate the depinning shear stress between edge and screw dislocations and their solute atmospheres formed for various waiting times with different solute content and for a range of temperatures. A simple phenomenological model is also proposed that describes the observed behavior of the critical shear stress as a function of segregation level.

X-ray scattering by edge-dislocations in the S_A phase of mesomorphic side chain polyacrylates

NASA Astrophysics Data System (ADS)

Davidson, P.; Pansu, B.; Levelut, A. M.; Strzelecki, L.

1991-01-01

The X-ray diffraction patterns of mesomorphic side chain polymers in the S_A phase present diffuse streaks in shape of “butterfly wings”. We show that this diffuse scattering may be due to the presence of edge dislocations. On the basis of a previous description of edge dislocations within the framework of the elastic continuum theory of the S_A phase given by De Gennes, we have calculated the Fourier transform of the deformation field. Optical diffraction experiments on sketches of defects have also been made to reproduce the X-ray scattering patterns. Both methods show that this diffuse scattering may indeed be due to the presence of edge dislocations. Their density may be roughly estimated to some 10^8/cm^2. The size of their cores should be only a few Ångströms. From the decay of their elastic deformation field, a typical length λ = (K/B)^{1/2}≈ 1,5 Å can be obtained which shows that the elastic constant B of compression of the layers should be about two orders of magnitude larger in the “polymeric” S_A phase than in the “conventional” one. Les clichés de diffraction des rayons X par des polymères mésomorphes en peigne, en phase S_A, présentent des trainées diffuses en forme d'“ ailes de papillon ”. Nous montrons que cette diffusion diffuse peut s'expliquer par la présence de dislocations-coin. En partant de la description des dislocations-coin donnée par De Gennes dans le cadre de la théorie du continuum élastique de la phase S_A, nous avons calculé la transformée de Fourier du champ de déformation. Des expériences de diffraction optique sur des modèles de défauts ont aussi été effectuées afin de reproduire les clichés de diffraction des rayons X. Les deux méthodes montrent que cette diffusion diffuse peut en effet bien s'expliquer par la présence de dislocations-coin. Leur densité a été grossièrement estimée à quelques 10^8/cm^2. La taille de leurs coeurs ne devrait pas dépasser quelques Ångströms. D'après l'allure du champ de déformation élastique, on peut tirer une longueur typique λ = (K/B)^{1/2}≈ 1,5 Å, ce qui montre que la constante élastique B de compression des couches devrait être environ 100 fois plus élevée en phase S_A “ polymérique ” qu'en phase S_A “ usuelle ”.

Multi-scale simulation of lithium diffusion in the presence of a 30° partial dislocation and stacking fault in Si

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

Wang, Chao-Ying; Li, Chen-liang; Wu, Guo-Xun

The multi-scale simulation method is employed to investigate how defects affect the performances of Li-ion batteries (LIBs). The stable positions, binding energies and dynamics properties of Li impurity in Si with a 30° partial dislocation and stacking fault (SF) have been studied in comparison with the ideal crystal. It is found that the most table position is the tetrahedral (T{sub d}) site and the diffusion barrier is 0.63 eV in bulk Si. In the 30° partial dislocation core and SF region, the most stable positions are at the centers of the octagons (Oct-A and Oct-B) and pentahedron (site S), respectively. Inmore » addition, Li dopant may tend to congregate in these defects. The motion of Li along the dislocation core are carried out by the transport among the Oct-A (Oct-B) sites with the barrier of 1.93 eV (1.12 eV). In the SF region, the diffusion barrier of Li is 0.91 eV. These two types of defects may retard the fast migration of Li dopant that is finally trapped by them. Thus, the presence of the 30° partial dislocation and SF may deactivate the Li impurity and lead to low rate capability of LIB.« less

Modeling and optimal designs for dislocation and radiation tolerant single and multijunction solar cells

NASA Astrophysics Data System (ADS)

Mehrotra, A.; Alemu, A.; Freundlich, A.

2011-02-01

Crystalline defects (e.g. dislocations or grain boundaries) as well as electron and proton induced defects cause reduction of minority carrier diffusion length which in turn results in degradation of efficiency of solar cells. Hetro-epitaxial or metamorphic III-V devices with low dislocation density have high BOL efficiencies but electron-proton radiation causes degradation in EOL efficiencies. By optimizing the device design (emitter-base thickness, doping) we can obtain highly dislocated metamorphic devices that are radiation resistant. Here we have modeled III-V single and multi junction solar cells using drift and diffusion equations considering experimental III-V material parameters, dislocation density, 1 Mev equivalent electron radiation doses, thicknesses and doping concentration. Thinner device thickness leads to increment in EOL efficiency of high dislocation density solar cells. By optimizing device design we can obtain nearly same EOL efficiencies from high dislocation solar cells than from defect free III-V multijunction solar cells. As example defect free GaAs solar cell after optimization gives 11.2% EOL efficiency (under typical 5x1015cm-2 1 MeV electron fluence) while a GaAs solar cell with high dislocation density (108 cm-2) after optimization gives 10.6% EOL efficiency. The approach provides an additional degree of freedom in the design of high efficiency space cells and could in turn be used to relax the need for thick defect filtering buffer in metamorphic devices.

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.

An approximate analysis of the diffusing flow in a self-controlled heat pipe.

NASA Technical Reports Server (NTRS)

Somogyi, D.; Yen, H. H.

1973-01-01

Constant-density two-dimensional axisymmetric equations are presented for the diffusing flow of a class of self-controlled heat pipes. The analysis is restricted to the vapor space. Condensation of the vapor is related to its mass fraction at the wall by the gas kinetic formula. The Karman-Pohlhausen integral method is applied to obtain approximate solutions. Solutions are presented for a water heat pipe with neon control gas.

Simulation of the early startup period of high-temperature heat pipes from the frozen state by a rarefied vapor self-diffusion model

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1993-01-01

The heat pipe startup process is described physically and is divided into five periods for convenience of analysis. The literature survey revealed that none of the previous attempts to simulate the heat pipe startup process numerically were successful, since the rarefied vapor flow in the heat pipe was not considered. Therefore, a rarefied vapor self-diffusion model is proposed, and the early startup periods, in which the rarefied vapor flow is dominant within the heat pipe, are first simulated numerically. The numerical results show that large vapor density gradients existed along the heat pipe length, and the vapor flow reaches supersonic velocities when the density is extremely low. The numerical results are compared with the experimental data of the early startup period with good agreement.

Interfacial diffusion aided deformation during nanoindentation

DOE PAGES

Samanta, Amit; E., Weinan

2015-07-06

Nanoindentation is commonly used to quantify the mechanical response of material surfaces. Despite its widespread use, a detailed understanding of the deformation mechanisms responsible for plasticity during these experiments has remained elusive. Nanoindentation measurements often show stress values close to a material’s ideal strength which suggests that dislocation nucleation and subsequent dislocation activity dominates the deformation. However, low strain-rate exponents and small activation volumes have also been reported which indicates high temperature sensitivity of the deformation processes. Using an order parameter aided temperature accelerated sampling technique called adiabatic free energy dynamics [J. B. Abrams and M. E. Tuckerman, J. Phys.more » Chem. B, 112, 15742 (2008)], and molecular dynamics we have probed the diffusive mode of deformation during nanoindentation. Localized processes such as surface vacancy and ad-atom pair formation, vacancy diffusion are found to play an important role during indentation. Furthermore, our analysis suggests a change in the dominant deformation mode from dislocation mediated plasticity to diffusional flow at high temperatures, slow indentation rates and small indenter tip radii.« less

Deformation behavior of a 16-8-2 GTA weld as influenced by its solidification substructure

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

Foulds, J.R.; Moteff, J.; Sikka, V.K.

1983-07-01

Weldment sections from formed and welded type 316 stainless steel pipe are characterized with respect to some time-independent (tensile) and time-dependent (creep) mechanical properties at temperatures between 25/sup 0/C and 649/sup 0/C. The GTA weldment, welded with 16-8-2 filler metal, is sectioned from pipe in the formed + welded + solution annealed + straightened condition, as well as in the same condition with an additional re-solution treatment. Detailed room temperature microhardness measurements on these sections before and after reannealing enable a determination of the different recovery characteristics of weld and base metal. The observed stable weld metal solidification dislocation substructuremore » in comparison with the base metal random dislocation structure, in fact, adequately explains weld/base metal elevated temperature mechanical behavior differences from this recovery characteristic standpoint. The weld metal substructure is the only parameter common to the variety of austenitic stainless steel welds exhibiting the consistent parent/weld metal deformation behavior differences described. As such, it must be considered the key to understanding weldment mechanical behavior.« less

Diffusive and martensitic nucleation kinetics in solid-solid transitions of colloidal crystals

NASA Astrophysics Data System (ADS)

Peng, Yi; Li, Wei; Wang, Feng; Still, Tim; Yodh, Arjun G.; Han, Yilong

2017-05-01

Solid-solid transitions between crystals follow diffusive nucleation, or various diffusionless transitions, but these kinetics are difficult to predict and observe. Here we observed the rich kinetics of transitions from square lattices to triangular lattices in tunable colloidal thin films with single-particle dynamics by video microscopy. Applying a small pressure gradient in defect-free regions or near dislocations markedly transform the diffusive nucleation with an intermediate-stage liquid into a martensitic generation and oscillation of dislocation pairs followed by a diffusive nucleus growth. This transformation is neither purely diffusive nor purely martensitic as conventionally assumed but a combination thereof, and thus presents new challenges to both theory and the empirical criterion of martensitic transformations. We studied how pressure, density, grain boundary, triple junction and interface coherency affect the nucleus growth, shape and kinetic pathways. These novel microscopic kinetics cast new light on control solid-solid transitions and microstructural evolutions in polycrystals.

Diffusive and martensitic nucleation kinetics in solid-solid transitions of colloidal crystals

PubMed Central

Peng, Yi; Li, Wei; Wang, Feng; Still, Tim; Yodh, Arjun G.; Han, Yilong

2017-01-01

Solid–solid transitions between crystals follow diffusive nucleation, or various diffusionless transitions, but these kinetics are difficult to predict and observe. Here we observed the rich kinetics of transitions from square lattices to triangular lattices in tunable colloidal thin films with single-particle dynamics by video microscopy. Applying a small pressure gradient in defect-free regions or near dislocations markedly transform the diffusive nucleation with an intermediate-stage liquid into a martensitic generation and oscillation of dislocation pairs followed by a diffusive nucleus growth. This transformation is neither purely diffusive nor purely martensitic as conventionally assumed but a combination thereof, and thus presents new challenges to both theory and the empirical criterion of martensitic transformations. We studied how pressure, density, grain boundary, triple junction and interface coherency affect the nucleus growth, shape and kinetic pathways. These novel microscopic kinetics cast new light on control solid–solid transitions and microstructural evolutions in polycrystals. PMID:28504246

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.

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.

Stress versus temperature dependence of activation energies for creep

NASA Technical Reports Server (NTRS)

Freed, A. D.; Raj, S. V.; Walker, K. P.

1992-01-01

The activation energy for creep at low stresses and elevated temperatures is associated with lattice diffusion, where the rate controlling mechanism for deformation is dislocation climb. At higher stresses and intermediate temperatures, the rate controlling mechanism changes from dislocation climb to obstacle-controlled dislocation glide. Along with this change in deformation mechanism occurs a change in the activation energy. When the rate controlling mechanism for deformation is obstacle-controlled dislocation glide, it is shown that a temperature-dependent Gibbs free energy does better than a stress-dependent Gibbs free energy in correlating steady-state creep data for both copper and LiF-22mol percent CaF2 hypereutectic salt.

Study of microdefects and their distribution in dislocation-free Si-doped HB GaAs by X-ray diffuse scattering on triple-crystal diffractometer

NASA Astrophysics Data System (ADS)

Charniy, L. A.; Morozov, A. N.; Bublik, V. T.; Scherbachev, K. D.; Stepantsova, I. V.; Kaganer, V. M.

1992-03-01

Microdefects in dislocation-free Si-doped (n = (1-3) × 10 18cm-3) HB GaAs crystals were studied by X-ray diffuse scattering measured with the help of a triple-crystal diffractometer. The intensity of the diffuse scattering as well as the isointensity contours around different reciprocal lattice points were analysed. A comparison of the measured isointensity contours with the theoretically calculated ones showed that the microdefects detected are interstitial dislocation loops with the Burgers vectors b = {1}/{2}<110 #3862;; lying in the planes #38;{110} and {111}. The mean radius of the dislocation loops R0 was determined using the wave vector q0 alpha; R-10 corresponding to the transmition point where the Huang diffuse scattering I( q) alpha q-2 ( q < q0) changed to the asymptotic scattering I( q) alpha q-4 ( q #62 q0). The analysis of a D-shaped cross-sectional (111) wafer cut from the end part of the HB ingot showed that R0 changed smoothly along the [ overline211] symmetry axis of the wafer. The highly inhomogeneous "new-moon"-like distribution of the non-dislocational etch-pits was also obtained. The maximal loop radius obtained at the edges of the wafer, R 0 = 1 μm, corresponds to the wafer area enriched with etch-pits and the minimal one, R 0 = 0.3 μm, corresponds to the bound of the new-moon-like area denuded from etch-pits. Microdefects of a new type were detected in the denuded area. These microdefects consist of nuclei, 0.1 μm in radius, and an extended atmosphere of interstitials. The minimal microdefect radius in the centre of the wafer corresponds to the maximum local value of the lattice parameter a = 5.655380 Å, and the minimum local value a = 5.65372 Å was obtained at the wafer edges enriched with microdefect-related etch-pits. Absolute X-ray diffuse intensity measurements were used for microdefect concentration determination. Normalization of I( q) was based on the comparison of the Huang intensity with the thermal diffuse scattering intensity which is predominant for the wave vector q å R-10. The microdefect concentration determined in this way appeared to be 4 × 10 9 cm -3 at the edges of the wafer and 4 × 10 11 cm -3 at the centre of the new-moon-like etch-pit denuded zone. The number of interstitial atoms forming dislocation loops is shown to be the same across the area of the wafer and equal to 10 16 cm -3.

The change of the inlet geometry of a centrifugal compressor stage and its influence on the compressor performance

NASA Astrophysics Data System (ADS)

Wang, Leilei; Yang, Ce; Zhao, Ben; Lao, Dazhong; Ma, Chaochen; Li, Du

2013-06-01

The impact on the compressor performance is important for designing the inlet pipe of the centrifugal compressor of a vehicle turbocharger with different inlet pipes. First, an experiment was performed to determine the compressor performance from three cases: a straight inlet pipe, a long bent inlet pipe and a short bent inlet pipe. Next, dynamic sensors were installed in key positions to collect the sign of the unsteady pressure of the centrifugal compressor. Combined with the results of numerical simulations, the total pressure distortion in the pipes, the pressure distributions on the blades and the pressure variability in the diffuser are studied in detail. The results can be summarized as follows: a bent pipe results in an inlet distortion to the compressor, which leads to performance degradation, and the effect is more apparent as the mass flow rate increases. The distortion induced by the bent inlet is not only influenced by the distance between the outlet of the bent section and the leading edge of the impeller but also by the impeller rotation. The flow fields in the centrifugal impeller and the diffuser are influenced by a coupling effect produced by the upstream inlet distortion and the downstream blocking effect from the volute tongue. If the inlet geometry is changed, the distributions and the fluctuation intensities of the static pressure on the main blade surface of the centrifugal impeller and in the diffuser are changed accordingly.

Startup analysis for a high temperature gas loaded heat pipe

NASA Technical Reports Server (NTRS)

Sockol, P. M.

1973-01-01

A model for the rapid startup of a high-temperature gas-loaded heat pipe is presented. A two-dimensional diffusion analysis is used to determine the rate of energy transport by the vapor between the hot and cold zones of the pipe. The vapor transport rate is then incorporated in a simple thermal model of the startup of a radiation-cooled heat pipe. Numerical results for an argon-lithium system show that radial diffusion to the cold wall can produce large vapor flow rates during a rapid startup. The results also show that startup is not initiated until the vapor pressure p sub v in the hot zone reaches a precise value proportional to the initial gas pressure p sub i. Through proper choice of p sub i, startup can be delayed until p sub v is large enough to support a heat-transfer rate sufficient to overcome a thermal load on the heat pipe.

Effect of oxygen on dislocation multiplication in silicon crystals

NASA Astrophysics Data System (ADS)

Fukushima, Wataru; Harada, Hirofumi; Miyamura, Yoshiji; Imai, Masato; Nakano, Satoshi; Kakimoto, Koichi

2018-03-01

This paper aims to clarify the effect of oxygen on dislocation multiplication in silicon single crystals grown by the Czochralski and floating zone methods using numerical analysis. The analysis is based on the Alexander-Haasen-Sumino model and involves oxygen diffusion from the bulk to the dislocation cores during the annealing process in a furnace. The results show that after the annealing process, the dislocation density in silicon single crystals decreases as a function of oxygen concentration. This decrease can be explained by considering the unlocking stress caused by interstitial oxygen atoms. When the oxygen concentration is 7.5 × 1017 cm-3, the total stress is about 2 MPa and the unlocking stress is less than 1 MPa. As the oxygen concentration increases, the unlocking stress also increases; however, the dislocation velocity decreases.

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.

Modeling benzene permeation through drinking water high density polyethylene (HDPE) pipes.

PubMed

Mao, Feng; Ong, Say Kee; Gaunt, James A

2015-09-01

Organic compounds such as benzene, toluene, ethyl benzene and o-, m-, and p-xylene from contaminated soil and groundwater may permeate through thermoplastic pipes which are used for the conveyance of drinking water in water distribution systems. In this study, permeation parameters of benzene in 25 mm (1 inch) standard inside dimension ratio (SIDR) 9 high density polyethylene (HDPE) pipes were estimated by fitting the measured data to a permeation model based on a combination of equilibrium partitioning and Fick's diffusion. For bulk concentrations between 6.0 and 67.5 mg/L in soil pore water, the concentration-dependent diffusion coefficients of benzene were found to range from 2.0×10(-9) to 2.8×10(-9) cm2/s while the solubility coefficient was determined to be 23.7. The simulated permeation curves of benzene for SIDR 9 and SIDR 7 series of HDPE pipes indicated that small diameter pipes were more vulnerable to permeation of benzene than large diameter pipes, and the breakthrough of benzene into the HDPE pipe was retarded and the corresponding permeation flux decreased with an increase of the pipe thickness. HDPE pipes exposed to an instantaneous plume exhibited distinguishable permeation characteristics from those exposed to a continuous source with a constant input. The properties of aquifer such as dispersion coefficients (DL) also influenced the permeation behavior of benzene through HDPE pipes.

The Analysis of Organotins in Polyvinyl Chloride Pipe and Their Diffusion into Water Over Time

EPA Science Inventory

Organotins are commonly used as thermal stabilizers in the manufacturing of PVC pipes, which are widely used in drinking water distribution systems. Additives, such as organotins, have been show to leach through PVC pipe into water. While tri-substituted organotin compounds hav...

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.

Field theory and diffusion creep predictions in polycrystalline aggregates

NASA Astrophysics Data System (ADS)

Villani, A.; Busso, E. P.; Forest, S.

2015-07-01

In polycrystals, stress-driven vacancy diffusion at high homologous temperatures leads to inelastic deformation. In this work, a novel continuum mechanics framework is proposed to describe the strain fields resulting from such a diffusion-driven process in a polycrystalline aggregate where grains and grain boundaries are explicitly considered. The choice of an anisotropic eigenstrain in the grain boundary region provides the driving force for the diffusive creep processes. The corresponding inelastic strain rate is shown to be related to the gradient of the vacancy flux. Dislocation driven deformation is then introduced as an additional mechanism, through standard crystal plasticity constitutive equations. The fully coupled diffusion-mechanical model is implemented into the finite element method and then used to describe the biaxial creep behaviour of FCC polycrystalline aggregates. The corresponding results revealed for the first time that such a coupled diffusion-stress approach, involving the gradient of the vacancy flux, can accurately predict the well-known macroscopic strain rate dependency on stress and grain size in the diffusion creep regime. They also predict strongly heterogeneous viscoplastic strain fields, especially close to grain boundaries triple junctions. Finally, a smooth transition from Herring and Coble to dislocation creep behaviour is predicted and compared to experimental results for copper.

Apparatus for purifying exhaust gases of internal combustion engines

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

Kakinuma, A.; Oya, H.

1980-06-03

Apparatus for purifying the exhaust gases of internal combustion engines is disclosed that is comprised of a pair of upstream exhaust pipes, a catalytic converter, and a downstream exhaust pipe. The catalytic converter comprises a cylindrical shell having an inlet chamber, a catalyst chamber, an outlet chamber, and a monolithic catalyst element in the catalyst chamber. The inlet chamber has inlet ports communicating with the upstream exhaust pipes respectively and axial lines of the inlet ports cross each other in the inlet chamber. In the inlet chamber, a diffusion means is provided to diffuse the exhaust gas for uniformly distributingmore » it to the catalyst element.« less

Recombination activity of threading dislocations in GaInP influenced by growth temperature

NASA Astrophysics Data System (ADS)

Mukherjee, K.; Reilly, C. H.; Callahan, P. G.; Seward, G. G. E.

2018-04-01

Room-temperature non-radiative recombination is studied at single dislocations in Ga0.5In0.5P quantum wells grown on metamorphic templates using cathodoluminescence and electron channeling contrast imaging. An analysis of the light emission intensity profiles around single dislocations reveals that the average recombination strength of a dislocation decreases by a factor of four and seven as a result of decreasing growth temperature of the GaInP quantum well from 725 to 675 and 625 °C, respectively. This reduction occurs despite little change in the diffusion length, precluding the prospect of inducing carrier localization by ordering and phase separation in GaInP at lower growth temperatures. These observations are rationalized by the premise that point defects or impurities are largely responsible for the recombination activity of dislocations, and the extent of decoration of the dislocation core decreases with temperature. Preliminary evidence for the impact of the Burgers vector is also presented. The lowest growth temperature, however, negatively impacts light emission away from dislocations. Carrier recombination in the bulk and at dislocations needs to be considered together for metamorphic devices, and this work can lead to new techniques to limit non-radiative recombination.

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

Paulauskas, Tadas; Buurma, Christopher; Colegrove, Eric

Dislocation cores have long dominated the electronic and optical behaviors of semiconductor devices and detailed atomic characterization is required to further explore their effects. Miniaturization of semiconductor devices to nanometre scale also puts emphasis on a material's mechanical properties to withstand failure due to processing or operational stresses. Sessile junctions of dislocations provide barriers to propagation of mobile dislocations and may lead to work-hardening. The sessile Lomer–Cottrell and Hirth lock dislocations, two stable lowest elastic energy stair-rods, are studied in this paper. More specifically, using atomic resolution high-angle annular dark-field imaging and atomic-column-resolved X-ray spectrum imaging in an aberration-corrected scanningmore » transmission electron microscope, dislocation core structures are examined in zinc-blende CdTe. A procedure is outlined for atomic scale analysis of dislocation junctions which allows determination of their identity with specially tailored Burgers circuits and also formation mechanisms of the polar core structures based on Thompson's tetrahedron adapted to reactions of polar dislocations as they appear in CdTe and other zinc-blende solids. Strain fields associated with the dislocations calculatedviageometric phase analysis are found to be diffuse and free of `hot spots' that reflect compact structures and low elastic energy of the pure-edge stair-rods.« less

EBIC/TEM investigations of process-induced defects in EFG silicon ribbon

NASA Technical Reports Server (NTRS)

Cunningham, B.; Ast, D. G.

1981-01-01

Electron bombardment induced conductivity and scanning transmission electron microscopy observations on unprocessed and processed edge-defined film-fed growth ribbon show that the phosphorus diffused junction depth is not uniform, and that a variety of chemical impurities precipitate out during processing. Two kinds of precipitates are found (1) 10 nm or less in size, located at the dislocation nodes in sub-boundary like dislocation arrangements formed during processing and (2) large precipitates, the chemical composition of which has been partially identified. These large precipitates emit dense dislocations tangles into the adjacent crystal volume.

Coupling continuum dislocation transport with crystal plasticity for application to shock loading conditions

DOE PAGES

Luscher, Darby Jon; Mayeur, Jason Rhea; Mourad, Hashem Mohamed; ...

2015-08-05

Here, we have developed a multi-physics modeling approach that couples continuum dislocation transport, nonlinear thermoelasticity, crystal plasticity, and consistent internal stress and deformation fields to simulate the single-crystal response of materials under extreme dynamic conditions. Dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. Nonlinear thermoelasticity provides a thermodynamically consistent equation of state to relate stress (including pressure), temperature, energy densities, and dissipation. Crystal plasticity is coupled to dislocation transport via Orowan's expression where the constitutive description makes use of recent advances in dislocation velocity theories applicable under extreme loading conditions.more » The configuration of geometrically necessary dislocation density gives rise to an internal stress field that can either inhibit or accentuate the flow of dislocations. An internal strain field associated with the internal stress field contributes to the kinematic decomposition of the overall deformation. The paper describes each theoretical component of the framework, key aspects of the constitutive theory, and some details of a one-dimensional implementation. Results from single-crystal copper plate impact simulations are discussed in order to highlight the role of dislocation transport and pile-up in shock loading regimes. The main conclusions of the paper reinforce the utility of the modeling approach to shock problems.« less

Centrifugal compressor modifications and their effect on high-frequency pipe wall vibration

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

Motriuk, R.W.; Harvey, D.P.

1998-08-01

High-frequency pulsation generated by centrifugal compressors, with pressure wave-lengths much smaller than the attached pipe diameter, can cause fatigue failures of the compressor internals, impair compressor performance, and damage the attached compressor piping. There are numerous sources producing pulsation in centrifugal compressors. Some of them are discussed in literature at large (Japikse, 1995; Niese, 1976). NGTL has experienced extreme high-frequency discharge pulsation and pipe wall vibration on many of its radial inlet high-flow centrifugal gas compressor facilities. These pulsations led to several piping attachment failures and compressor internal component failures while the compressor operated within the design envelope. This papermore » considers several pulsation conditions at an NGTL compression facility which resulted in unacceptable piping vibration. Significant vibration attenuation was achieved by modifying the compressor (pulsation source) through removal of the diffuser vanes and partial removal of the inlet guide vanes (IGV). Direct comparison of the changes in vibration, pulsation, and performance are made for each of the modifications. The vibration problem, probable causes, options available to address the problem, and the results of implementation are reviewed. The effects of diffuser vane removal on discharge pipe wall vibration as well as changes in compressor performance are described.« less

Stratified Shear Flows In Pipe Geometries

NASA Astrophysics Data System (ADS)

Harabin, George; Camassa, Roberto; McLaughlin, Richard; UNC Joint Fluids Lab Team Team

2015-11-01

Exact and series solutions to the full Navier-Stokes equations coupled to the advection diffusion equation are investigated in tilted three-dimensional pipe geometries. Analytic techniques for studying the three-dimensional problem provide a means for tackling interesting questions such as the optimal domain for mass transport, and provide new avenues for experimental investigation of diffusion driven flows. Both static and time dependent solutions will be discussed. NSF RTG DMS-0943851, NSF RTG ARC-1025523, NSF DMS-1009750.

Influence of dislocations on indium diffusion in semi-polar InGaN/GaN heterostructures

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

Yin, Yao; National Institute for Materials Science, Tsukuba, Ibaraki 305-0044; Sun, Huabin

2015-05-15

The spatial distribution of indium composition in InGaN/GaN heterostructure is a critical topic for modulating the wavelength of light emitting diodes. In this letter, semi-polar InGaN/GaN heterostructure stripes were fabricated on patterned GaN/Sapphire substrates by epitaxial lateral overgrowth (ELO), and the spatial distribution of indium composition in the InGaN layer was characterized by using cathodoluminescence. It is found that the indium composition is mainly controlled by the diffusion behaviors of metal atoms (In and Ga) on the surface. The diffusivity of metal atoms decreases sharply as migrating to the region with a high density of dislocations and other defects, whichmore » influences the distribution of indium composition evidently. Our work is beneficial for the understanding of ELO process and the further development of InGaN/GaN heterostructure based devices.« less

Viscoplastic Creep Response and Microstructure of As-Fabricated Microscale Sn-3.0Ag-0.5Cu Solder Interconnects

NASA Astrophysics Data System (ADS)

Cuddalorepatta, Gayatri; Williams, Maureen; Dasgupta, Abhijit

2010-10-01

The viscoplastic behavior of as-fabricated, undamaged, microscale Sn-3.0 Ag-0.5Cu (SAC305) Pb-free solder is investigated and compared with that of eutectic Sn-37Pb solder and near-eutectic Sn-3.8Ag-0.7Cu (SAC387) solder from prior studies. Creep measurements of microscale SAC305 solder shear specimens show significant piece-to-piece variability under identical loading. Orientation imaging microscopy reveals that these specimens contain only a few, highly anisotropic Sn grains across the entire joint. For the studied loads, the coarse-grained Sn microstructure has a more significant impact on the scatter in primary creep compared to that in the secondary creep. The observed lack of statistical homogeneity (microstructure) and joint-dependent mechanical behavior of microscale SAC305 joints are consistent with those observed for functional microelectronics interconnects. Compared with SAC305 joints, microscale Sn-37Pb shear specimens exhibit more homogenous behavior and microstructure with a large number of small Sn (and Pb) grains. Creep damage in the Pb-free joint is predominantly concentrated at highly misoriented Sn grain boundaries. The coarse-grained Sn microstructure recrystallizes into new grains with high misorientation angles under creep loading. In spite of the observed joint-dependent behavior, as-fabricated SAC305 is significantly more creep resistant than Sn-37Pb solder and slightly less creep resistant than near-eutectic SAC387 solder. Average model constants for primary and secondary creep of SAC305 are presented. Since the viscoplastic measurements are averaged over a wide range of grain configurations, the creep model constants represent the effective continuum behavior in an average sense. The average secondary creep behavior suggests that the dominant creep mechanism is dislocation climb assisted by dislocation pipe diffusion.

Theoretical analysis of oxygen diffusion at startup in an alkali metal heat pipe with gettered alloy walls

NASA Technical Reports Server (NTRS)

Tower, L. K.

1973-01-01

The diffusion of oxygen into, or out of, a gettered alloy exposed to oxygenated alkali liquid metal coolant, a situation arising in some high temperature heat transfer systems, was analyzed. The relation between the diffusion process and the thermochemistry of oxygen in the alloy and in the alkali metal was developed by making several simplifying assumptions. The treatment is therefore theoretical in nature. However, a practical example pertaining to the startup of a heat pipe with walls of T-111, a tantalum alloy, and lithium working fluid illustrates the use of the figures contained in the analysis.

Microstructure in Worn Surface of Hadfield Steel Crossing

NASA Astrophysics Data System (ADS)

Zhang, F. C.; Lv, B.; Wang, T. S.; Zheng, C. L.; Li, M.; Zhang, M.

In this paper a failed Hadfield (high manganese austenite) steel crossing used in railway system was studied. The microstructure in the worn surfaces of the crossing was investigated using optical microscopy, scanning electron microscopy, transmission electron microscopy and Mössbauer spectroscopy. The results indicated that a nanocrystallization layer formed on the surface of the crossing served. The formation mechanism of the nanocrystalline is the discontinuous dynamic recrystallization. The energy for the recrystallization nucleus formation originates from the interactions between the twins, the dislocations, as well as twin and dislocation. High-density vacancies promoted the recrystallization process including the dislocation climb and the atom diffusion.

Microstructural Evolution of Nanocrystalline ZrO2 in a Fe Matrix During High-Temperature Exposure

NASA Astrophysics Data System (ADS)

Raghavendra, K. G.; Dasgupta, Arup; Athreya, C. N.; Jayasankar, K.; Saroja, S.; Subramanya Sarma, V.

2018-06-01

The current study examines the evolution of nanocrystallites of ZrO2 with time and temperature in a Fe-ZrO2 composite. The crystallite sizes were determined through X-ray peak broadening analysis by the Williamson-Hall method together with dark field transmission electron microscopy. The ZrO2 crystallites were found to be stable and retained their sizes at 973 K and 1073 K for hold durations up to 600 minutes. On the other hand, the crystallites were seen to grow at 1173 K and reached up to 200 nm for a hold time of 600 minutes. The Ostwald ripening model was adopted to understand crystallite growth while a dislocation-driven pipe diffusion was adopted for understanding the kinetics of grain growth. The activation energy of grain growth was calculated as 379 kJ mol-1. The modeled and experimentally calculated size evolutions with time and temperature were shown to be in good agreement with each other. A detailed discussion on the kinetics and activation energy of grain growth of ZrO2 crystallites in a Fe matrix is presented in this manuscript.

On the Symmetry of Molecular Flows Through the Pipe of an Arbitrary Shape (I) Diffusive Reflection

NASA Astrophysics Data System (ADS)

Kusumoto, Yoshiro

Molecular gas flows through the pipe of an arbitrary shape is mathematically considered based on a diffusive reflection model. To avoid a perpetual motion, the magnitude of the molecular flow rate must remain invariant under the exchange of inlet and outlet pressures. For this flow symmetry, the cosine law reflection at the pipe wall was found to be sufficient and necessary, on the assumption that the molecular flux is conserved in a collision with the wall. It was also shown that a spontaneous flow occurs in a hemispherical apparatus, if the reflection obeys the n-th power of cosine law with n other than unity. This apparatus could work as a molecular pump with no moving parts.

Solute softening and defect generation during prismatic slip in magnesium alloys

NASA Astrophysics Data System (ADS)

Yi, Peng; Cammarata, Robert C.; Falk, Michael L.

2017-12-01

Temperature and solute effects on prismatic slip of 〈a〉 dislocations in Mg are studied using molecular dynamics simulation. Prismatic slip is controlled by the low mobility screw dislocation. The screw dislocation glides on the prismatic plane through alternating cross-slip between the basal plane and the prismatic plane. In doing so, it exhibits a locking-unlocking mechanism at low temperatures and a more continuous wavy propagation at high temperatures. The dislocation dissociates into partials on the basal plane and the constriction formation of the partials is identified to be the rate-limiting process for unlocking. In addition, the diffusion of partials on the basal plane enables the formation of jogs and superjogs for prismatic slip, which lead to the generation of vacancies and dislocation loops. Solute softening in Mg alloys was observed in the presence of both Al and Y solute. The softening in prismatic slip is found to be due to solute pinning on the basal plane, instead of the relative energy change of the screw dislocation on the basal and prismatic planes, as has been hypothesized.

Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

DOE PAGES

Olsen, Raina J.; Jin, Ke; Lu, Chenyang; ...

2015-11-23

The nature of defect clusters in Ni and Nimore » $$_{50}$$Co$$_{50}$$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.« less

Edge Stabilized Ribbon (ESR); Stress, Dislocation Density and Electronic Performance

NASA Technical Reports Server (NTRS)

Sachs, E. M.

1984-01-01

The edge stabilized ribbon (ESR) silicon ribbon was grown in widths of 1, 2.2 and 4.0 inches at speeds ranging from .6 to 7 in/min, which result in ribbon thicknesses of 5 to 400 microns. One of the primary problems remaining in ESR growth is that of thermally induced mechanical stresses. This problem is manifested as ribbon with a high degree of residual stress or as ribbon with buckled ribbon. Thermal stresses result in a high dislocation density in the grown material, resulting in compromised electronic performance. Improvements in ribbon flatness were accomplished by modification of the ribbon cooling profile. Ribbon flatness and other experimental observations of ESR ribbon are discussed. Laser scanner measurements show a good correlation between diffusion length and dislocation density which indicates that the high dislocation densities are the primary cause of the poor current performance of ESR materials. Dislocation densities were reduced and improved electronic performance resulted. Laser scanner data on new and old material are presented.

A MODEL FOR CHLORINE CONCENTRATION DECAY IN PIPES

EPA Science Inventory

A model that accounts for transport in the axial direction by convection and in the radial direction by diffusion and that incorporates first order decay kinetics has been developed to predict the chlorine concentration in a pipe in a distribution system. A generalized expressio...

A Study of the Correlation Between Dislocations and Diffusion Length in In(49)Ga(51)P Solar Cells

DTIC Science & Technology

2008-12-01

method of depositing a monocrystalline film on a monocrystalline substrate, the variation in lattice constant is a measure of the structural...charge transport results in greater power generation, reducing the number of cells per panel , thereby reducing weight and volume requirements while... panel . 39 The line scan mode with a horizontal rotation imaged across the dislocation bands was seen in Figure 15, where as the line scan mode

Study of structure defect interactions in aluminum by the acoustic method. [internal friction in pure aluminum

NASA Technical Reports Server (NTRS)

Nicolaescu, I. I.

1974-01-01

Using echo pulse and resonance rod methods, internal friction in pure aluminum was studied as a function of frequency, hardening temperature, time (internal friction relaxation) and impurity content. These studies led to the conclusion that internal friction in these materials depends strongly on dislocation structure and on elastic interactions between structure defects. It was found experimentally that internal friction relaxation depends on the cooling rate and on the impurity content. Some parameters of the dislocation structure and of the diffusion process were determined. It is shown that the dislocated dependence of internal friction can be used as a method of nondestructive testing of the impurity content of high-purity materials.

Stress versus temperature dependent activation energies in creep

NASA Technical Reports Server (NTRS)

Freed, A. D.; Raj, S. V.; Walker, K. P.

1990-01-01

The activation energy for creep at low stresses and elevated temperatures is lattice diffusion, where the rate controlling mechanism for deformation is dislocation climb. At higher stresses and intermediate temperatures, the rate controlling mechanism changes from that of dislocation climb to one of obstacle-controlled dislocation glide. Along with this change, there occurs a change in the activation energy. It is shown that a temperature-dependent Gibbs free energy does a good job of correlating steady-state creep data, while a stress-dependent Gibbs free energy does a less desirable job of correlating the same data. Applications are made to copper and a LiF-22 mol. percent CaF2 hypereutectic salt.

A discrete dislocation dynamics model of creeping single crystals

NASA Astrophysics Data System (ADS)

Rajaguru, M.; Keralavarma, S. M.

2018-04-01

Failure by creep is a design limiting issue for metallic materials used in several high temperature applications. Current theoretical models of creep are phenomenological with little connection to the underlying microscopic mechanisms. In this paper, a bottom-up simulation framework based on the discrete dislocation dynamics method is presented for dislocation creep aided by the diffusion of vacancies, known to be the rate controlling mechanism at high temperature and stress levels. The time evolution of the creep strain and the dislocation microstructure in a periodic unit cell of a nominally infinite single crystal is simulated using the kinetic Monte Carlo method, together with approximate constitutive laws formulated for the rates of thermal activation of dislocations over local pinning obstacles. The deformation of the crystal due to dislocation glide between individual thermal activation events is simulated using a standard dislocation dynamics algorithm, extended to account for constant stress periodic boundary conditions. Steady state creep conditions are obtained in the simulations with the predicted creep rates as a function of stress and temperature in good agreement with experimentally reported values. Arrhenius scaling of the creep rates as a function of temperature and power-law scaling with the applied stress are also reproduced, with the values of the power-law exponents in the high stress regime in good agreement with experiments.

Crystal plasticity modeling of irradiation growth in Zircaloy-2

NASA Astrophysics Data System (ADS)

Patra, Anirban; Tomé, Carlos N.; Golubov, Stanislav I.

2017-08-01

A physically based reaction-diffusion model is implemented in the visco-plastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. The reaction-diffusion model accounts for the defects produced by the cascade of displaced atoms, their diffusion to lattice sinks and the contribution to crystallographic strain at the level of single crystals. The VPSC framework accounts for intergranular interactions and irradiation creep, and calculates the strain in the polycrystalline ensemble. A novel scheme is proposed to model the simultaneous evolution of both, number density and radius, of irradiation-induced dislocation loops directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behaviour of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture and external stress on the coupled irradiation growth and creep behaviour are also studied and compared with available experimental data.

Investigation of bubbles in arterial heat pipes

NASA Technical Reports Server (NTRS)

Saaski, E. W.

1972-01-01

The behavior of gas occlusions in arterial heat pipes has been studied experimentally and theoretically. Specifically, the gas-liquid system properties, solubility and diffusivity, have been measured from -50 to 100 C for helium and argon in ammonia, Freon-21 (CHC12F), and methanol. Properties values obtained were then used to experimentally test models for gas venting from a heat pipe artery under isothermal conditions (i.e., no-heat flow), although the models, as developed, are also applicable to heat pipes operated at power, with some minor modifications. Preliminary calculations indicated arterial bubbles in a stagnant pipe require from minutes to days to collapse and vent. It has been found experimentally that a gas bubble entrapped within an artery structure has a very long lifetime in many credible situations. This lifetime has an approximately inverse exponential dependence on temperature, and is generally considerably longer for helium than for argon. The models postulated for venting under static conditions were in general quantitative agreement with experimental data. Factors of primary importance in governing bubble stability are artery diameter, artery wall thickness, noncondensible gas partial pressure, and the property group (the Ostwald solubility coefficient multiplied by the gas/liquid diffusivity).

High temperature (900-1300 C) mechanical behaviour of dendritic web grown silicon ribbons - Strain rate and temperature dependence of the yield stress

NASA Technical Reports Server (NTRS)

Mathews, V. K.; Gross, T. S.

1987-01-01

The mechanical behavior of dendritic web Si ribbons close the melting point was studied experimentally. The goal of the study was to generate data for modeling the generation of stresses and dislocation structures during growth of dendritic web Si ribbons, thereby permitting modifications to the production process, i.e., the temperature profile, to lower production costs for the photovoltaic ribbons. A laser was used to cut specimens in the direction of growth of sample ribbons, which were then subjected to tensile tests at temperatures up to 1300 C in an Ar atmosphere. The tensile strengths of the samples increased when the temperature rose above 1200 C, a phenomena which was attributed to the diffusion of oxygen atoms to the quasi-dislocation sites. The migration to the potential dislocations sites effectively locked the dislocations.

Effects of solutes on dislocation nucleation from grain boundaries

DOE PAGES

Borovikov, Valery; Mendelev, Mikhail I.; King, Alexander H.

2016-12-27

When grain sizes are reduced to the nanoscale, grain boundaries (GB) become the dominant sources of the dislocations that enable plastic deformation. Here, we present the first molecular dynamics (MD) study of the effect of substitutional solutes on the dislocation nucleation process from GBs during uniaxial tensile deformation. A simple bi-crystal geometry is utilized in which the nucleation and propagation of dislocations away from a GB is the only active mechanism of plastic deformation. Solutes with atomic radii both larger and smaller than the solvent atomic radius were considered. Although the segregation sites are different for the two cases, bothmore » produce increases in the stress required to nucleate a dislocation. MD simulations at room temperature revealed that this increase in the nucleation stress is associated with changes of the GB structure at the emission site caused by dislocation emission, leading to increases in the heats of segregation of the solute atoms, which cannot diffuse to lower-energy sites on the timescale of the nucleation event. These results contribute directly to understanding the strength of nanocrystalline materials, and suggest suitable directions for nanocrystalline alloy design leading toward structural applications.« less

Conical diffuser for fuel cells

NASA Technical Reports Server (NTRS)

Craft, D. W.

1976-01-01

Diffuser is inserted into inlet manifold, producing smooth transition of flow from pipe diameter to manifold diameter. Expected pressure gradient and resulting cell-to-cell temperature gradient are reduced. Outlet manifold has nozzle insert that reduces exit losses.

Outlet diffusers to increase culvert capacity.

DOT National Transportation Integrated Search

2016-06-01

Aging infrastructure and changing weather patterns present the need to increase the capacity of existing highway culverts. This research approaches this challenge through the use of diffuser outlet systems to increase pipe capacity and reduce outlet ...

Mechanisms of submicron inclusion re-equilibration during host mineral deformation

NASA Astrophysics Data System (ADS)

Griffiths, Thomas; Habler, Gerlinde; Abart, Rainer; Rhede, Dieter; Wirth, Richard

2014-05-01

Both brittle and ductile deformation can facilitate re-equilibration of mineral inclusions. The presence of inclusions also influences stress and strain distribution in the host. The processes governing feedbacks between brittle deformation, ductile deformation, and inclusion re-equilibration have been studied using unique microstructures in Permian meta-pegmatite garnets from the Koralpe, Eastern Alps, Austria. Sampled almandine-spessartine garnets contain highly abundant submicron-sized inclusions, which originated during or subsequent to magmatic garnet growth. The Permian magmatic assemblages were affected by eclogite facies metamorphism during the Cretaceous tectono-metamorphic event. The meta-pegmatite garnet deformed crystal-plastically at this metamorphic stage (Bestmann et al. 2008) and the host-inclusion system was affected by partial recrystallization. Trails of coarser inclusions (1-10µm diameter) crosscut the magmatic submicron inclusion density zoning in the garnet, defining curviplanar geometrical surfaces in 3D. In 10-40µm broad 'bleaching zones' flanking inclusion trails, the original ≤1µm sized inclusions are not seen in the optical microscope or SEM, however inclusions <100nm are still abundant in TEM foils from these areas. From their microstructural characteristics it is inferred that the trails formed at sites of healed brittle cracks. FEG-microprobe data showed that inclusion-trails and associated bleaching zones can be formed isochemically, although some trails showed non-isochemical coarsening. In both cases no change in garnet major element composition was observed. EBSD mapping revealed two phenomena that were investigated by cutting targeted TEM foils. Firstly, bleaching zones are associated with systematic very low angle (ca. 0.5°) garnet lattice orientation changes along discrete boundaries. TEM foils transecting such a boundary show a lower concentration of dislocations than expected for the lattice rotation inferred from EBSD data, and no subgrain boundaries. Secondly, garnet lattice rotation of up to 10° around rational garnet crystal axes is observed in connection with some already coarsened inclusions. Strain concentrations are widespread in some trails, but rare in others. A TEM foil transecting a garnet domain with concentrated lattice rotation in association with inclusions reveals well developed polygonal subgrain walls with few free dislocations. Where dislocation density is greatest, almost no <100nm inclusions are observed, whereas these are more abundant in unstrained garnet domains despite the foil being located entirely within the optically visible bleaching zone. Chlorite inclusions and formation of etch pits at dislocations at the garnet-chlorite interface demonstrate the presence of fluid along subgrain boundaries during this second bleaching process. In summary, brittle deformation in these garnets led to enhanced transport and inclusion re-equilibration by coarsening, forming inclusion trails. The precise mechanism allowing enhanced transport is still to be determined and may have involved fluid supply with or without pipe diffusion along introduced dislocations. Later ductile deformation via dislocations, concentrated at already coarsened inclusions and enhanced by fluid availability, further affected the nanoinclusion population. The inclusion trail microstructure records complex small-scale interaction between deformation and reaction, shedding light on the mechanisms by which re-equilibration and strain localisation can influence each other in deforming host-inclusion systems. Bestmann et al. (2008) Journal of Structural Geology 30: 777-790

10 CFR Appendix C to Part 110 - Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components Under NRC...

Code of Federal Regulations, 2011 CFR

2011-01-01

... welds with substantial amounts of repetition of layout. The equipment, components and piping systems are... fully fluorinated hydrocarbon polymers. 1. Assemblies and components especially designed or prepared for use in gaseous diffusion enrichment. 1.1 Gaseous Diffusion Barriers Especially designed or prepared...

10 CFR Appendix C to Part 110 - Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components Under NRC...

Code of Federal Regulations, 2012 CFR

2012-01-01

... welds with substantial amounts of repetition of layout. The equipment, components and piping systems are... fully fluorinated hydrocarbon polymers. 1. Assemblies and components especially designed or prepared for use in gaseous diffusion enrichment. 1.1 Gaseous Diffusion Barriers Especially designed or prepared...

10 CFR Appendix C to Part 110 - Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components Under NRC...

Code of Federal Regulations, 2014 CFR

2014-01-01

... welds with substantial amounts of repetition of layout. The equipment, components and piping systems are... fully fluorinated hydrocarbon polymers. 1. Assemblies and components especially designed or prepared for use in gaseous diffusion enrichment. 1.1 Gaseous Diffusion Barriers Especially designed or prepared...

10 CFR Appendix C to Part 110 - Illustrative List of Gaseous Diffusion Enrichment Plant Assemblies and Components Under NRC...

Code of Federal Regulations, 2013 CFR

2013-01-01

... welds with substantial amounts of repetition of layout. The equipment, components and piping systems are... fully fluorinated hydrocarbon polymers. 1. Assemblies and components especially designed or prepared for use in gaseous diffusion enrichment. 1.1 Gaseous Diffusion Barriers Especially designed or prepared...

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

Observations of Glide and Decomposition of a<101> Dislocations at High Temperatures in Ni-Al Single Crystals Deformed along the Hard Orientation

NASA Technical Reports Server (NTRS)

Srinivasan, R.; Daw, M. S.; Noebe, R. D.; Mills, M. J.

2003-01-01

Ni-44at.% Al and Ni-50at.% single crystals were tested in compression in the hard (001) orientations. The dislocation processes and deformation behavior were studied as a function of temperature, strain and strain rate. A slip transition in NiAl occurs from alpha(111) slip to non-alphaaaaaaaaaaa9111) slip at intermediate temperatures. In Ni-50at.% Al single crystal, only alpha(010) dislocations are observed above the slip transition temperature. In contrast, alpha(101)(101) glide has been observed to control deformation beyond the slip transition temperature in Ni-44at.%Al. alpha(101) dislocations are observed primarily along both (111) directions in the glide plane. High-resolution transmission electron microscopy observations show that the core of the alpha(101) dislocations along these directions is decomposed into two alpha(010) dislocations, separated by a distance of approximately 2nm. The temperature window of stability for these alpha(101) dislocations depends upon the strain rate. At a strain rate of 1.4 x 10(exp -4)/s, lpha(101) dislocations are observed between 800 and 1000K. Complete decomposition of a alpha(101) dislocations into alpha(010) dislocations occurs beyond 1000K, leading to alpha(010) climb as the deformation mode at higher temperature. At lower strain rates, decomposition of a alpha(101) dislocations has been observed to occur along the edge orientation at temperatures below 1000K. Embedded-atom method calculations and experimental results indicate that alpha(101) dislocation have a large Peieris stress at low temperature. Based on the present microstructural observations and a survey of the literature with respect to vacancy content and diffusion in NiAl, a model is proposed for alpha(101)(101) glide in Ni-44at.%Al, and for the observed yield strength versus temperature behavior of Ni-Al alloys at intermediate and high temperatures.

Low-voltage cross-sectional EBIC for characterisation of GaN-based light emitting devices.

PubMed

Moldovan, Grigore; Kazemian, Payam; Edwards, Paul R; Ong, Vincent K S; Kurniawan, Oka; Humphreys, Colin J

2007-01-01

Electron beam induced current (EBIC) characterisation can provide detailed information on the influence of crystalline defects on the diffusion and recombination of minority carriers in semiconductors. New developments are required for GaN light emitting devices, which need a cross-sectional approach to provide access to their complex multi-layered structures. A sample preparation approach based on low-voltage Ar ion milling is proposed here and shown to produce a flat cross-section with very limited surface recombination, which enables low-voltage high resolution EBIC characterisation. Dark defects are observed in EBIC images and correlation with cathodoluminescence images identify them as threading dislocations. Emphasis is placed on one-dimensional quantification which is used to show that junction delineation with very good spatial resolution can be achieved, revealing significant roughening of this GaN p-n junction. Furthermore, longer minority carrier diffusion lengths along the c-axis are found at dislocation sites, in both p-GaN and the multi-quantum well (MQW) region. This is attributed to gettering of point defects at threading dislocations in p-GaN and higher escape rate from quantum wells at dislocation sites in the MQW region, respectively. These developments show considerable promise for the use of low-voltage cross-sectional EBIC in the characterisation of point and extended defects in GaN-based devices and it is suggested that this technique will be particularly useful for degradation analysis.

Effects of aging time and temperature of Fe-1wt.%Cu on magnetic Barkhausen noise and FORC

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

Saleh, Muad; Cao, Yue; Edwards, Danny J.

Magnetic Barkhausen noise (MBN), hysteresis measurements, first order reversal curves (FORC), Vickers microhardness, and Transmission Electron Microscopy (TEM) analyses were performed on Fe-1wt.%Cu (Fe-Cu) samples isothermally aged at 700°C for 0.5 – 25 hours to obtain samples with different sized Cu precipitates and dislocation structures. Fe-Cu is used to simulate the thermal and irradiation-induced defects in copper-containing nuclear reactor materials such as cooling system pipes and pressure vessel materials. The sample series showed an initial increase followed by a decrease in hardness and coercivity with aging time, which is explained by Cu precipitates formation and growth as observed by TEMmore » measurements. Further, the MBN envelope showed a continuous decrease in its magnitude and the appearance of a second peak with aging. Also, FORC diagrams showed multiple peaks whose intensity and location changed for different aging time. The changes in FORC diagrams are attributed to combined changes of the magnetic behavior due to Cu precipitate characteristics and dislocation structure. A second series of samples aged at 850°C, which is above the solid solution temperature of Fe-Cu, was studied to isolate the effects of dislocations. These samples showed a continuous decrease in MBN amplitude with aging time although the coercivity and hardness did not change significantly. The decrease of MBN amplitude and the appearance of the second MBN envelope peak are attributed to the changes in dislocation density and structure. This study shows that the effect of dislocations on MBN and FORC of Fe-Cu materials can vary significantly and should be considered in interpreting magnetic signatures.« less

Measurement of defect thickness of the wall thinning defect pipes by lock-in infrared thermography technique

NASA Astrophysics Data System (ADS)

Kim, Kyeongsuk; Kim, Kyungsu; Jung, Hyunchul; Chang, Hosub

2010-03-01

Mostly piping which is using for the nuclear power plants are made up of carbon steel pipes. The wall thinning defects occurs by the effect of the flow accelerated corrosion of fluid that flows in carbon steel pipes. The defects could be found on the welding part and anywhere in the pipes. The infrared thermography technique which is one of the non-destructive testing method has used for detecting the defects of various kinds of materials over the years. There is a limitation for measuring the defect of metals that have a big coefficient of thermal diffusion. However, a technique using lock-in method gets over the difficulty. Consequently, the lock-in infrared thermography technique has been applied to the various industry fields. In this paper, the defect thickness of the straight pipe which has an artificial defect the inside of the pipes was measured by using the lock-in infrared thermography technique and the result could be utilized in detecting defects of carbon steel pipes.

Creep of quartz by dislocation and grain boundary processes

NASA Astrophysics Data System (ADS)

Fukuda, J. I.; Holyoke, C. W., III; Kronenberg, A. K.

2015-12-01

Wet polycrystalline quartz aggregates deformed at temperatures T of 600°-900°C and strain rates of 10-4-10-6 s-1 at a confining pressure Pc of 1.5 GPa exhibit plasticity at low T, governed by dislocation glide and limited recovery, and grain size-sensitive creep at high T, governed by diffusion and sliding at grain boundaries. Quartz aggregates were HIP-synthesized, subjecting natural milky quartz powder to T=900°C and Pc=1.5 GPa, and grain sizes (2 to 25 mm) were varied by annealing at these conditions for up to 10 days. Infrared absorption spectra exhibit a broad OH band at 3400 cm-1 due to molecular water inclusions with a calculated OH content (~4000 ppm, H/106Si) that is unchanged by deformation. Rate-stepping experiments reveal different stress-strain rate functions at different temperatures and grain sizes, which correspond to differing stress-temperature sensitivities. At 600-700°C and grain sizes of 5-10 mm, flow law parameters compare favorably with those for basal plasticity and dislocation creep of wet quartzites (effective stress exponents n of 3 to 6 and activation enthalpy H* ~150 kJ/mol). Deformed samples show undulatory extinction, limited recrystallization, and c-axis maxima parallel to the shortening direction. Similarly fine-grained samples deformed at 800°-900°C exhibit flow parameters n=1.3-2.0 and H*=135-200 kJ/mol corresponding to grain size-sensitive Newtonian creep. Deformed samples show some undulatory extinction and grain sizes change by recrystallization; however, grain boundary deformation processes are indicated by the low value of n. Our experimental results for grain size-sensitive creep can be compared with models of grain boundary diffusion and grain boundary sliding using measured rates of silicon grain boundary diffusion. While many quartz mylonites show microstructural and textural evidence for dislocation creep, results for grain size-sensitive creep may apply to very fine-grained (<10 mm) quartz mylonites.

Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion

NASA Astrophysics Data System (ADS)

Zhao, Yue; Marian, Jaime

2018-06-01

Interactions among dislocations and solute atoms are the basis of several important processes in metal plasticity. In body-centered cubic (bcc) metals and alloys, low-temperature plastic flow is controlled by screw dislocation glide, which is known to take place by the nucleation and sideward relaxation of kink pairs across two consecutive Peierls valleys. In alloys, dislocations and solutes affect each other’s kinetics via long-range stress field coupling and short-range inelastic interactions. It is known that in certain substitutional bcc alloys a transition from solute softening to solute hardening is observed at a critical concentration. In this paper, we develop a kinetic Monte Carlo model of screw dislocation glide and solute diffusion in substitutional W–Re alloys. We find that dislocation kinetics is governed by two competing mechanisms. At low solute concentrations, nucleation is enhanced by the softening of the Peierls stress, which dominates over the elastic repulsion of Re atoms on kinks. This trend is reversed at higher concentrations, resulting in a minimum in the flow stress that is concentration and temperature dependent. This minimum marks the transition from solute softening to hardening, which is found to be in reasonable agreement with experiments.

Atomistic study of the hardening of ferritic iron by Ni-Cr decorated dislocation loops

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Zhurkin, E.; Posselt, M.

2018-01-01

The exact nature of the radiation defects causing hardening in reactor structural steels consists of several components that are not yet clearly determined. While generally, the hardening is attributed to dislocation loops, voids and secondary phases (radiation-induced precipitates), recent advanced experimental and computational studies point to the importance of solute-rich clusters (SRCs). Depending on the exact composition of the steel, SRCs may contain Mn, Ni and Cu (e.g. in reactor pressure vessel steels) or Ni, Cr, Si, Mn (e.g. in high-chromium steels for generation IV and fusion applications). One of the hypotheses currently implied to explain their formation is the process of radiation-induced diffusion and segregation of these elements to small dislocation loops (heterogeneous nucleation), so that the distinction between SRCs and loops becomes somewhat blurred. In this work, we perform an atomistic study to investigate the enrichment of loops by Ni and Cr solutes and their interaction with an edge dislocation. The dislocation loops decorated with Ni and Cr solutes are obtained by Monte Carlo simulations, while the effect of solute segregation on the loop's strength and interaction mechanism is then addressed by large scale molecular dynamics simulations. The synergy of the Cr-Ni interaction and their competition to occupy positions in the dislocation loop core are specifically clarified.

A numerical analysis of high-temperature heat pipe startup from the frozen state

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1993-01-01

Continuum and rarefied vapor flows co-exist along the heat pipe length for most of the startup period. A two-region model is proposed in which the vapor flow in the continuum region is modeled by the compressible Navier-Stokes equations, and the vapor flow in the rarefied region is simulated by a self-diffusion model. The two vapor regions are linked with appropriate boundary conditions, and heat pipe wail, wick, and vapor flow are solved as a conjugate problem. The numerical solutions for the entire heat pipe startup process from the frozen state are compared with the corresponding experimental data with good agreement.

High Pressure Gas Permeation and Liquid Diffusion Studies of Coflon and Tefzel Thermoplastics. Revision

NASA Technical Reports Server (NTRS)

Morgan, G. J.; Campion, R. P.

1997-01-01

The life of fluid-carrying flexible or umbilical pipes during service at elevated temperatures and pressures depends inter alia on their resistance to attack by the fluids present and the rate at which these fluids are absorbed by the pipe lining materials. The consequences of fluid ingress into the thermoplastic lining could mean a) a reduction in its mechanical strength, to increase chances of crack formation and growth and thus a loss of integrity, b) the occurrence of permeation right through the lining material, with pressure build- up in the outer pipe wall construction (of flexible pipes) or chemical attack (from a hostile permeant) on outer layers of reinforcements. Therefore it is important within this project to have relevant permeation data for Coflon and Tefzel thermoplastics: the former is plasticised, the latter is not. A previous report (CAPP/M.2) described experimental equipment and techniques used by MERL when measuring high pressure (up to 5000 psi) gas permeation and liquid diffusion through thermoplastic samples cut from extruded bar or pipe, and provided the basic theory involved. Norsk Hydro are also performing gas permeation tests on pipe sections, at up to 100 bars (1450 psi) pressure or so, and reporting separately. Some comparisons between data from Norsk Hydro and MERL have been made herein. The tests should be considered as complementary, as the Norsk Hydro test has the obvious benefit of using complete pipe sections, whilst MERL can test at much higher pressures, up to 1000 bar if necessary. The sophisticated analytical measuring equipment of Norsk Hydro can distinguish the individual components of mixed gases and hence the various permeation-linked coefficients whereas MERL, in using pressure increase at constant volume to determine permeation rate, is limited to obtaining single gas data, or apparent (or representative) coefficients for a mixed gas as a whole. Except for the initial fluid diffusion data for Tefzel described in CAPP/M.2, the present report covers all aspects of fluid permeation and diffusion for Coflon and Tefzel, including all the pen-neation data accumulated in the project to date. Test gases have mainly been methane (CH4) and carbon dioxide (CO2). More high pressure (HP) gas permeation tests have been performed since the last issue of this report, most being concerned with changes in permeation characteristics brought about by ageing in various relevant fluids. This revision supersedes previous issues.

Invariant Deformation Element Model Interpretation to the Crystallography of Diffusional Body-Centered-Cube to Face-Centered-Cube Phase Transformations

NASA Astrophysics Data System (ADS)

Liu, Hongwei; Liu, Jiangwen; Su, Guangcai; Li, Weizhou; Zeng, Jianmin; Hu, Zhiliu

2012-10-01

The crystallography of body-centered-cube to face-centered cube (bcc-to-fcc) diffusion phase transformations in a duplex stainless steel and a Cu-Zn alloy, including long axis, orientation relationship (OR), habit plane (HP), and dislocation spacing, is successfully interpreted with one-step rotation from the Bain lattice relationship by applying a simplified invariant line (IL) analysis. It is proposed that the dislocation slipping direction in the matrix plays an important role in controlling the crystallography of precipitation.

High-Performance and Traditional Multicrystalline Silicon: Comparing Gettering Responses and Lifetime-Limiting Defects

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

Castellanos, Sergio; Ekstrom, Kai E.; Autruffe, Antoine

2016-05-01

In recent years, high-performance multicrystalline silicon (HPMC-Si) has emerged as an attractive alternative to traditional ingot-based multicrystalline silicon (mc-Si), with a similar cost structure but improved cell performance. Herein, we evaluate the gettering response of traditional mc-Si and HPMC-Si. Microanalytical techniques demonstrate that HPMC-Si and mc-Si share similar lifetime-limiting defect types but have different relative concentrations and distributions. HPMC-Si shows a substantial lifetime improvement after P-gettering compared with mc-Si, chiefly because of lower area fraction of dislocation-rich clusters. In both materials, the dislocation clusters and grain boundaries were associated with relatively higher interstitial iron point-defect concentrations after diffusion, which ismore » suggestive of dissolving metal-impurity precipitates. The relatively fewer dislocation clusters in HPMC-Si are shown to exhibit similar characteristics to those found in mc-Si. Given similar governing principles, a proxy to determine relative recombination activity of dislocation clusters developed for mc-Si is successfully transferred to HPMC-Si.« less

X-ray reciprocal space mapping of dislocation-mediated strain relaxation during InGaAs/GaAs(001) epitaxial growth

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

Sasaki, Takuo; Ohshita, Yoshio; Kamiya, Itaru

2011-12-01

Dislocation-mediated strain relaxation during lattice-mismatched InGaAs/GaAs(001) heteroepitaxy was studied through in situ x-ray reciprocal space mapping (in situ RSM). At the synchrotron radiation facility SPring-8, a hybrid system of molecular beam epitaxy and x-ray diffractometry with a two-dimensional detector enabled us to perform in situ RSM at high-speed and high-resolution. Using this experimental setup, four results in terms of film properties were simultaneously extracted as functions of film thickness. These were the lattice constants, the diffraction broadenings along in-plane and out-of-plane directions, and the diffuse scattering. Based on correlations among these results, the strain relaxation processes were classified into fourmore » thickness ranges with different dislocation behavior. In addition, the existence of transition regimes between the thickness ranges was identified. Finally, the dominant dislocation behavior corresponding to each of the four thickness ranges and transition regimes was noted.« less

Pure climb creep mechanism drives flow in Earth’s lower mantle

PubMed Central

Boioli, Francesca; Carrez, Philippe; Cordier, Patrick; Devincre, Benoit; Gouriet, Karine; Hirel, Pierre; Kraych, Antoine; Ritterbex, Sebastian

2017-01-01

At high pressure prevailing in the lower mantle, lattice friction opposed to dislocation glide becomes very high, as reported in recent experimental and theoretical studies. We examine the consequences of this high resistance to plastic shear exhibited by ringwoodite and bridgmanite on creep mechanisms under mantle conditions. To evaluate the consequences of this effect, we model dislocation creep by dislocation dynamics. The calculation yields to an original dominant creep behavior for lower mantle silicates where strain is produced by dislocation climb, which is very different from what can be activated under high stresses under laboratory conditions. This mechanism, named pure climb creep, is grain-size–insensitive and produces no crystal preferred orientation. In comparison to the previous considered diffusion creep mechanism, it is also a more efficient strain-producing mechanism for grain sizes larger than ca. 0.1 mm. The specificities of pure climb creep well match the seismic anisotropy observed of Earth’s lower mantle. PMID:28345037

Drag of a Cottrell atmosphere by an edge dislocation in a smectic-A liquid crystal.

PubMed

Oswald, P; Lejček, L

2017-10-01

In a recent letter (P. Oswald et al., EPL 103, 46004 (2013)), we have shown that a smectic-A phase hardens in compression normal to the layers when the liquid crystal is doped with gold nanoparticles. This is due to the formation of Cottrell clouds nearby the core of the edge dislocations and the appearance of an additional drag force that reduces their mobility. We theoretically calculate the shape of the Cottrell cloud and the associated drag force as a function of the climb velocity of the dislocations. The main result is that the drag force depends on velocity and vanishes when the temperature tends to the smectic-A-to-nematic transition temperature. The role of the diffusion anisotropy is also evaluated.

Mechanisms of high-temperature, solid-state flow in minerals and ceramics and their bearing on the creep behavior of the mantle

USGS Publications Warehouse

Kirby, S.H.; Raleigh, C.B.

1973-01-01

The problem of applying laboratory silicate-flow data to the mantle, where conditions can be vastly different, is approached through a critical review of high-temperature flow mechanisms in ceramics and their relation to empirical flow laws. The intimate association of solid-state diffusion and high-temperature creep in pure metals is found to apply to ceramics as well. It is shown that in ceramics of moderate grain size, compared on the basis of self-diffusivity and elastic modulus, normalized creep rates compare remarkably well. This comparison is paralleled by the near universal occurrence of similar creep-induced structures, and it is thought that the derived empirical flow laws can be associated with dislocation creep. Creep data in fine-grained ceramics, on the other hand, are found to compare poorly with theories involving the stress-directed diffusion of point defects and have not been successfully correlated by self-diffusion rates. We conclude that these fine-grained materials creep primarily by a quasi-viscous grain-boundary sliding mechanism which is unlikely to predominate in the earth's deep interior. Creep predictions for the mantle reveal that under most conditions the empirical dislocation creep behavior predominates over the mechanisms involving the stress-directed diffusion of point defects. The probable role of polymorphic transformations in the transition zone is also discussed. ?? 1973.

Microstructure, microtexture and precipitation in the ultrafine-grained surface layer of an Al-Zn-Mg-Cu alloy processed by sliding friction treatment

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

Chen, Yanxia

2017-01-15

Precipitate redistribution and texture evolution are usually two concurrent aspects accompanying grain refinement induced by various surface treatment. However, the detailed precipitate redistribution characteristics and process, as well as crystallographic texture in the surface refined grain layer, are still far from full understanding. In this study, we focused on the microstructural and crystallographic features of the sliding friction treatment (SFT) induced surface deformation layer in a 7050 aluminum alloy. With the combination of transmission electron microscopy (TEM) and high angle angular dark field scanning TEM (HAADF-STEM) observations, a surface ultrafine grain (UFG) layer composed of both equiaxed and lamellar ultrafinemore » grains and decorated by high density of coarse grain boundary precipitates (GBPs) were revealed. Further precession electron diffraction (PED) assisted orientation mapping unraveled that high angle grain boundaries rather than low angle grain boundaries are the most favorable nucleation sites for GBPs. The prominent precipitate redistribution can be divided into three successive and interrelated stages, i.e. the mechanically induced precipitate dissolution, solute diffusion and reprecipitation. The quantitative prediction based on pipe diffusion along dislocations and grain boundary diffusion proved the distribution feasibility of GBPs around UFGs. Based on PED and electron backscatter diffraction (EBSD) analyses, the crystallographic texture of the surface UFG layer was identified as a shear texture composed of major rotated cube texture (001) 〈110〉 and minor (111) 〈112〉, while that of the adjoining lamellar coarse grained matrix was pure brass. The SFT induced surface severe shear deformation is responsible for texture evolution. - Highlights: •The surface ultrafine grain layer in a 7050 aluminum alloy was focused. •Precipitate redistribution and texture evolution were discussed. •The quantitative prediction proved the distribution feasibility of GBPs. •Precession electron diffraction orientation mapping showed a shear texture.« less

Reynolds-number dependence of the longitudinal dispersion in turbulent pipe flow.

PubMed

Hawkins, Christopher; Angheluta, Luiza; Krotkiewski, Marcin; Jamtveit, Bjørn

2016-04-01

In Taylor's theory, the longitudinal dispersion in turbulent pipe flows approaches, on long time scales, a diffusive behavior with a constant diffusivity K_{L}, which depends empirically on the Reynolds number Re. We show that the dependence on Re can be determined from the turbulent energy spectrum. By using the intimate connection between the friction factor and the longitudinal dispersion in wall-bounded turbulence, we predict different asymptotic scaling laws of K_{L}(Re) depending on the different turbulent cascades in two-dimensional turbulence. We also explore numerically the K_{L}(Re) dependence in turbulent channel flows with smooth and rough walls using a lattice Boltzmann method.

Connecting Ellipses to Rectangles in Passive Scalar Transport

NASA Astrophysics Data System (ADS)

Aminian, Manuchehr; Bernardi, Francesca; Camassa, Roberto; Harris, Daniel; McLaughlin, Richard

2017-11-01

We study how passive scalar transport in Poiseuille flow is affected by the shape of the pipe cross section. Our previous results have established nontrivial dependence of the skewness of the tracer distribution upon the pipe shape. Previously, we have studied the families of rectangles and ellipses, with the behavior past diffusive timescales primarily depending on aspect ratio, and the type of geometry being secondary. However, at timescales well before the diffusion timescale, the family of ellipses is distinct compared to rectangles. We investigate this phenomenon by studying a collection of exotic cross sections connecting the ellipses and rectangles, using a combination of theoretical and computational tools.

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.

A molecular dynamics study of tilt grain boundary resistance to slip and heat transfer in nanocrystalline silicon

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

Chen, Xiang; Chen, Youping; Xiong, Liming

2014-12-28

We present a molecular dynamics study of grain boundary (GB) resistance to dislocation-mediated slip transfer and phonon-mediated heat transfer in nanocrystalline silicon bicrystal. Three most stable 〈110〉 tilt GBs in silicon are investigated. Under mechanical loading, the nucleation and growth of hexagonal-shaped shuffle dislocation loops are reproduced. The resistances of different GBs to slip transfer are quantified through their constitutive responses. Results show that the Σ3 coherent twin boundary (CTB) in silicon exhibits significantly higher resistance to dislocation motion than the Σ9 GB in glide symmetry and the Σ19 GB in mirror symmetry. The distinct GB strengths are explained bymore » the atomistic details of the dislocation-GB interaction. Under thermal loading, based on a thermostat-induced heat pulse model, the resistances of the GBs to transient heat conduction in ballistic-diffusive regime are characterized. In contrast to the trend found in the dislocation-GB interaction in bicrystal models with different GBs, the resistances of the same three GBs to heat transfer are strikingly different. The strongest dislocation barrier Σ3 CTB is almost transparent to heat conduction, while the dislocation-permeable Σ9 and Σ19 GBs exhibit larger resistance to heat transfer. In addition, simulation results suggest that the GB thermal resistance not only depends on the GB energy but also on the detailed atomic structure along the GBs.« less

Diffusion behavior of Cu/Ta heterogeneous interface under high temperature and high strain: An atomistic investigation

NASA Astrophysics Data System (ADS)

Li, Ganglong; Wu, Houya; Luo, Honglong; Chen, Zhuo; Tay, Andrew A. O.; Zhu, Wenhui

2017-09-01

Three-dimensional (3D) integration technology using Cu interconnections has emerged as a promising solution to improve the performance of silicon microelectronic devices. However, Cu diffuses into SiO2 and requires a barrier layer such as Ta to ensure acceptable reliability. In this paper, the effects of temperature and strain normal to the interface on the inter-diffusion of Cu and Ta at annealing conditions are investigated using a molecular dynamics (MD) technique with embedded atomic method (EAM) potentials. Under thermal annealing conditions without strain, it is found that a Cu-rich diffusion region approximately 2 nm thick is formed at 1000 K after 10 ns of annealing. Ta is capable of diffusing into the interior of Cu but Cu hardly diffuses into the inner lattice of Ta. At the Cu side near the interface an amorphous structure is formed due to the process of diffusion. The diffusion activation energy of Cu and Ta are found to be 0.9769 and 0.586 eV, respectively. However, when a strain is applied, a large number of crystal defects are generated in the sample. As the strain is increased, extrinsic stacking faults (ESFs) and lots of Shockley partial dislocations appear. The density of the dislocations and the diffusion channels increase, promoting the diffusion of Cu atoms into the inner lattice of Ta. The thickness of the diffusion layer increases to 4 times the value when only a temperature load of 700 K is applied. The MD simulations demonstrated that Ta is very effective as a barrier layer under thermal loading only, and its effectiveness is impaired by tensile strain at the Cu/Ta interface. The simulations also clarified the mechanism that caused the impairment. The methodology and approach described in this paper can be followed further to study the effectiveness of barrier layers under various annealing and strain conditions, and to determine the minimum thickness of barrier layers required for a particular application.

Continuum dislocation-density based models for the dynamic shock response of single-crystal and polycrystalline materials

NASA Astrophysics Data System (ADS)

Luscher, Darby

2017-06-01

The dynamic thermomechanical responses of polycrystalline materials under shock loading are often dominated by the interaction of defects and interfaces. For example, polymer-bonded explosives (PBX) can initiate under weak shock impacts whose energy, if distributed homogeneously throughout the material, translates to temperature increases that are insufficient to drive the rapid chemistry observed. In such cases, heterogeneous thermomechanical interactions at the mesoscale (i.e. between single-crystal and macroscale) lead to the formation of localized hot spots. Within metals, a prescribed deformation associated with a shock wave may be accommodated by crystallographic slip, provided a sufficient population of mobile dislocations is available. However, if the deformation rate is large enough, there may be an insufficient number of freely mobile dislocations. In these cases, additional dislocations may be nucleated, or alternate mechanisms (e.g. twinning, damage) activated in order to accommodate the deformation. Direct numerical simulation at the mesoscale offers insight into these physical processes that can be invaluable to the development of macroscale constitutive theories, if the mesoscale models adequately represent the anisotropic nonlinear thermomechanical response of individual crystals and their interfaces. This talk will briefly outline a continuum mesoscale modeling framework founded upon local and nonlocal variations of dislocation-density based crystal plasticity theory. The nonlocal theory couples continuum dislocation transport with the local theory. In the latter, dislocation transport is modeled by enforcing dislocation conservation at a slip-system level through the solution of advection-diffusion equations. The configuration of geometrically necessary dislocation density gives rise to a back-stress that inhibits or accentuates the flow of dislocations. Development of the local theory and application to modeling the explosive molecular crystal RDX and polycrystalline PBX will be discussed. The talk will also emphasize recent implementation of the coupled nonlocal model into a 3D shock hydrocode and simulation results for the dynamic response of polycrystalline copper in two and three dimensions.

Effect of a solid solution on the steady-state creep behavior of an aluminum matrix composite

NASA Astrophysics Data System (ADS)

Pandey, A. B.; Mishra, R. S.; Mahajan, Y. R.

1996-02-01

The effect of an alloying element, 4 wt pct Mg, on the steady-state creep behavior of an Al-10 vol pct SiCp composite has been studied. The Al-4 wt pct Mg-10 vol pct SiCp composite has been tested under compression creep in the temperature range 573 to 673 K. The steady-state creep data of the composite show a transition in the creep behavior (regions I and II) depending on the applied stress at 623 and 673 K. The low stress range data (region I) exhibit a stress exponent of about 7 and an activation energy of 76.5 kJ mol-1. These values conform to the dislocation-climb-controlled creep model with pipe diffusion as a rate-controlling mechanism. The intermediate stress range data (region II) exhibit high and variable apparent stress exponents, 18 to 48, and activation energy, 266 kJ mol-1, at a constant stress, σ = 50 MPa, for creep of this composite. This behavior can be rationalized using a substructure-invariant model with a stress exponent of 8 and an activation energy close to the lattice self-diffusion of aluminum together with a threshold stress. The creep data of the Al-Mg-A12O3f composite reported by Dragone and Nix also conform to the substructure-invariant model. The threshold stress and the creep strength of the Al-Mg-SiCp, composite are compared with those of the Al-Mg-Al2O3f and 6061 Al-SiCp.w, composites and discussed in terms of the load-transfer mechanism. Magnesium has been found to be very effective in improving the creep resistance of the Al-SiCp composite.

Cooling Effect Analysis of Suppressing Coal Spontaneous Ignition with Heat Pipe

NASA Astrophysics Data System (ADS)

Zhang, Yaping; Zhang, Shuanwei; Wang, Jianguo; Hao, Gaihong

2018-05-01

Suppression of spontaneous ignition of coal stockpiles was an important issue for safe utilization of coal. The large thermal energy from coal spontaneous ignition can be viewed as the latent energy source to further utilize for saving energy purpose. Heat pipe was the more promising way to diffuse effectively concentrated energy of the coal stockpile, so that retarding coal spontaneous combustion was therefore highly desirable. The cooling mechanism of the coal with heat pipe was pursued. Based on the research result, the thermal energy can be transported from the coal seam to the surface continuously with the use of heat pipe. Once installed the heat pipes will work automatically as long as the coal oxidation reaction was happened. The experiment was indicated that it can significantly spread the high temperature of the coal pile.

Innovative self-drying concept for thermal insulation of cold piping

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

Korsgaard, V.

1997-11-01

In the paper an innovative Self-Drying concept, the Hygro-Wick concept, for thermal insulation of cold piping is described. The concept is based on the wicking action of certain fabrics to remove by capillary suction condensed water vapor from the pipe surface to the outer surface of the insulation/jacket, from whence it will evaporate/diffuse into the ambient air. Hence the concept will prevent long term accumulation of moisture in the insulation material. Theoretical and experimental results for two different embodiments of the concept is given: The Self-Drying system and the Self-Sealing system.

Stress-dislocation interaction mechanism in low-temperature thermo-compression sintering of Ag NPs

NASA Astrophysics Data System (ADS)

Wang, Fuliang; Tang, Zikai; He, Hu

2018-04-01

The sintering of metal nanoparticles (NPs) has been widely studied in the field of nanotechnology, and low-temperature sintering has become the industry standard. In this study, a molecular dynamics (MD) model was established to study the sintering behaviour of silver NPs during low-temperature thermo-compression. Primarily, we studied the sintering process, in which the ratio of neck radius to particle radius (x/r) changes. Under a uniaxial pressure, the maximum ratio in the temperature range 420-425 K was 1. According to the change of x/r, the process can be broken down into three stages: the neck-formation stage, neck-growth stage, and neck-stability stage. In addition, the relationship between potential energy, internal stress, and dislocation density during sintering is discussed. The results showed that cycling internal stress played an important role in sintering. Under the uniaxial pressure, the stress-dislocation interaction was found to be the major mechanism for thermo-compression sintering because the plastic deformation product dislocation intensified the diffusion of atoms. Also, the displacement vector, the mean square displacement, and the changing crystal structure during sintering were studied.

Study of recombination characteristics in MOCVD grown GaN epi-layers on Si

NASA Astrophysics Data System (ADS)

Gaubas, E.; Ceponis, T.; Dobrovolskas, D.; Malinauskas, T.; Meskauskaite, D.; Miasojedovas, S.; Mickevicius, J.; Pavlov, J.; Rumbauskas, V.; Simoen, E.; Zhao, M.

2017-12-01

The radiative and non-radiative recombination carrier decay lifetimes in GaN epi-layers grown by metal-organic chemical vapour deposition technology on Si substrates were measured by contactless techniques of time-resolved photoluminescence and microwave-probed transients of photoconductivity. The lifetime variations were obtained to be dependent on growth regimes. These variations have been related to varied densities of edge dislocations associated with growth temperature. It has been also revealed that the lateral carrier lifetime and photoluminescence intensity distribution is determined by the formation of dislocation clusters dependent on the growth conditions. For low excitation level, the asymptotic component within the excess carrier decay transients is attributed to carrier trapping and anomalous diffusion through random-walk processes within dislocation cluster regions and barriers at dislocation cores. The two-componential decay process at high excitation conditions, where excess carriers may suppress barriers, proceeds through a nonlinear recombination, where band-to-band transitions determine the nonlinearity of the process, while the asymptotic component is ascribed to the impact of D-A pair PL within the long-wavelength wing of the UV-PL band.

Constitutive relations for determining the critical conditions for dynamic recrystallization behavior

NASA Astrophysics Data System (ADS)

Choe, J. I.

2016-04-01

A series mathematical model has been developed for the prediction of flow stress and microstructure evolution during the hot deformation of metals such as copper or austenitic steels with low stacking fault energies, involving features of both diffusional flow and dislocation motion. As the strain rate increases, multiple peaks on the stress-strain curve decrease. At a high strain rate, the stress rises to a single peak, while dynamic recrystallization causes an oscillatory behavior. At a low strain rate (when there is sufficient time for the recrystallizing grains to grow before they become saturated with high dislocation density with an increase in strain rate), the difference in stored stress between recrystallizing and old grains diminishes, resulting in reduced driving force for grain growth and rendering smaller grains in the alloy. The final average grain size at the steady stage (large strain) increases with a decrease in the strain rate. During large strain deformation, grain size reduction accompanying dislocation creep might be balanced by the grain growth at the border delimiting the ranges of realization (field boundary) of the dislocation-creep and diffusion-creep mechanisms.

Thermodynamics, Diffusion, and Structure of Mg2SiO4 forsterite grain boundaries from atomistic modeling

NASA Astrophysics Data System (ADS)

Adjaoud, O.; Marquardt, K.; Jahn, S.

2011-12-01

Most materials are not single crystals but consist of crystalline grains of various sizes, misorientated with respect to each other and joint by grain boundaries. The latter influence many of the material properties. For instance, grain boundaries are short circuits for diffusion and thus they strongly influence transport properties of materials such as electrical conductivity, or mineral growth rates, creep, or phase transform. Olivine is a major component of the Earth's upper mantle and therefore it is of considerable importance to study its physical and thermodynamic polycrystalline properties. In the present study, we have used molecular dynamics simulations to model thermodynamics, self-diffusion and structure of a series of [100] symmetric tilt grain boundaries in forsterite. The interactions between the atoms are modeled by an advanced ionic interaction potential (Jahn and Madden, 2007). The parameters of the potential are fitted to ab initio results. The model was optimized for the Ca-Mg-Al-Si-O system and shows good transferability in a wide range of pressures, temperatures, and compositions. Thermodynamics and structure were simulated at ambient conditions, and self-diffusion coefficients were determined at ambient pressure and temperatures of 1250, 1500, 1750, and 2000 K. We find that the energy and excess free volume of the grain boundaries in forsterite depend significantly on the misorientation angle of the grain boundary. One of our modeled structures is compared with an high-resolution transmission electron micrograph (HRTEM) (Heinemann et al., 2005). We relate our findings to previous studies of grain boundaries in ionic materials and in metals. For small misorientation angles (up to 22.1°), grain boundary structures consist of an array of c-edge dislocations as suggested by Heinemann et al. (2005) and their energies can be readily fit with the Read-Shockley dislocation model for grain boundaries. For high misorientation angles (32.1° and 60.8°), the cores of dislocations overlap and form repeated structural units. Similar to energies and excess free volumes, the self-diffusion coefficients of Mg and O depend significantly on the misorientation angle of the grain boundaries and they are well fitted with Arrhenius law. We compare our results to MgO grain boundary diffusion in forsterite derived from reaction rim growth experiments (Gardés and Heinrich, 2010).

Transient Simulation of Accumulating Particle Deposition in Pipe Flow

NASA Astrophysics Data System (ADS)

Hewett, James; Sellier, Mathieu

2015-11-01

Colloidal particles that deposit in pipe systems can lead to fouling which is an expensive problem in both the geothermal and oil & gas industries. We investigate the gradual accumulation of deposited colloids in pipe flow using numerical simulations. An Euler-Lagrangian approach is employed for modelling the fluid and particle phases. Particle transport to the pipe wall is modelled with Brownian motion and turbulent diffusion. A two-way coupling exists between the fouled material and the pipe flow; the local mass flux of depositing particles is affected by the surrounding fluid in the near-wall region. This coupling is modelled by changing the cells from fluid to solid as the deposited particles exceed each local cell volume. A similar method has been used to model fouling in engine exhaust systems (Paz et al., Heat Transfer Eng., 34(8-9):674-682, 2013). We compare our deposition velocities and deposition profiles with an experiment on silica scaling in turbulent pipe flow (Kokhanenko et al., 19th AFMC, 2014).

Modeling of dislocation channel width evolution in irradiated metals

DOE PAGES

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2017-11-08

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

Modeling of dislocation channel width evolution in irradiated metals

NASA Astrophysics Data System (ADS)

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

2018-02-01

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. Based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopy (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Further, examinations of the effect of the so-called "source-broadening" mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.

Modeling of dislocation channel width evolution in irradiated metals

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

Doyle, Peter J.; Benensky, Kelsa M.; Zinkle, Steven J.

Defect-free dislocation channel formation has been reported to promote plastic instability during tensile testing via localized plastic flow, leading to a distinct loss of ductility and strain hardening in many low-temperature irradiated materials. In order to study the underlying mechanisms governing dislocation channel width and formation, the channel formation process is modeled via a simple stochastic dislocation-jog process dependent upon grain size, defect cluster density, and defect size. Dislocations traverse a field of defect clusters and jog stochastically upon defect interaction, forming channels of low defect-density. And based upon prior molecular dynamics (MD) simulations and in-situ experimental transmission electron microscopymore » (TEM) observations, each dislocation encounter with a dislocation loop or stacking fault tetrahedron (SFT) is assumed to cause complete absorption of the defect cluster, prompting the dislocation to jog up or down by a distance equal to half the defect cluster diameter. Channels are predicted to form rapidly and are comparable to reported TEM measurements for many materials. Predicted channel widths are found to be most strongly dependent on mean defect size and correlated well with a power law dependence on defect diameter and density, and distance from the dislocation source. Due to the dependence of modeled channel width on defect diameter and density, maximum channel width is predicted to slowly increase as accumulated dose increases. The relatively weak predicted dependence of channel formation width with distance, in accordance with a diffusion analogy, implies that after only a few microns from the source, most channels observed via TEM analyses may not appear to vary with distance because of limitations in the field-of-view to a few microns. Furthermore, examinations of the effect of the so-called “source-broadening” mechanism of channel formation showed that its effect is simply to add a minimum thickness to the channel without affecting channel dependence on the given parameters.« less

Suppression of transient enhanced diffusion in sub-micron patterned silicon template by dislocation loops formation

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

Hu, Kuan-Kan; Woon, Wei Yen; Chang, Ruey-Dar

We investigate the evolution of two dimensional transient enhanced diffusion (TED) of phosphorus in sub-micron scale patterned silicon template. Samples doped with low dose phosphorus with and without high dose silicon self-implantation, were annealed for various durations. Dopant diffusion is probed with plane-view scanning capacitance microscopy. The measurement revealed two phases of TED. Significant suppression in the second phase TED is observed for samples with high dose self-implantation. Transmission electron microscopy suggests the suppressed TED is related to the evolution of end of range defect formed around ion implantation sidewalls.

Suppression of transient enhanced diffusion in sub-micron patterned silicon template by dislocation loops formation

NASA Astrophysics Data System (ADS)

Hu, Kuan-Kan; Chang, Ruey-Dar; Woon, Wei Yen

2015-10-01

We investigate the evolution of two dimensional transient enhanced diffusion (TED) of phosphorus in sub-micron scale patterned silicon template. Samples doped with low dose phosphorus with and without high dose silicon self-implantation, were annealed for various durations. Dopant diffusion is probed with plane-view scanning capacitance microscopy. The measurement revealed two phases of TED. Significant suppression in the second phase TED is observed for samples with high dose self-implantation. Transmission electron microscopy suggests the suppressed TED is related to the evolution of end of range defect formed around ion implantation sidewalls.

A constitutive model accounting for strain ageing effects on work-hardening. Application to a C-Mn steel

NASA Astrophysics Data System (ADS)

Ren, Sicong; Mazière, Matthieu; Forest, Samuel; Morgeneyer, Thilo F.; Rousselier, Gilles

2017-12-01

One of the most successful models for describing the Portevin-Le Chatelier effect in engineering applications is the Kubin-Estrin-McCormick model (KEMC). In the present work, the influence of dynamic strain ageing on dynamic recovery due to dislocation annihilation is introduced in order to improve the KEMC model. This modification accounts for additional strain hardening rate due to limited dislocation annihilation by the diffusion of solute atoms and dislocation pinning at low strain rate and/or high temperature. The parameters associated with this novel formulation are identified based on tensile tests for a C-Mn steel at seven temperatures ranging from 20 °C to 350 °C. The validity of the model and the improvement compared to existing models are tested using 2D and 3D finite element simulations of the Portevin-Le Chatelier effect in tension.

Free-carrier mobility in GaN in the presence of dislocation walls

NASA Astrophysics Data System (ADS)

Farvacque, J.-L.; Bougrioua, Z.; Moerman, I.

2001-03-01

The free-carrier mobility versus carrier density in n-type GaN grown by low-pressure metal-organic vapor- phase epitaxy on a sapphire substrate experiences a particular behavior that consists of the appearance of a sharp transition separating a low- from a high-mobility regime. This separation appears as soon as the carrier density exceeds a critical value that depends on the growth process. Using low-field electrical transport simulations, we show that this particular mobility behavior cannot be simply interpreted in terms of dislocation scattering or trapping mechanisms, but that it is also controlled by the collective effect of dislocation walls (the columnar structure). As the free-carrier density increases, the more efficient screening properties result in the transition from a barrier-controlled mobility regime to a pure-diffusion-process-controlled mobility regime. The model permits us to reproduce the experimental mobility collapse quantitatively.

Morphology variation, composition alteration and microstructure changes in ion-irradiated 1060 aluminum alloy

NASA Astrophysics Data System (ADS)

Wan, Hao; Si, Naichao; Wang, Quan; Zhao, Zhenjiang

2018-02-01

Morphology variation, composition alteration and microstructure changes in 1060 aluminum irradiated with 50 keV helium ions were characterized by field emission scanning electron microscopy (FESEM) equipped with x-ray elemental scanning, 3D measuring laser microscope and transmission electron microscope (TEM). The results show that, helium ions irradiation induced surface damage and Si-rich aggregates in the surfaces of irradiated samples. Increasing the dose of irradiation, more damages and Si-rich aggregates would be produced. Besides, defects such as dislocations, dislocation loops and dislocation walls were the primary defects in the ion implanted layer. The forming of surface damages were related with preferentially sputtering of Al component. While irradiation-enhanced diffusion and irradiation-induced segregation resulted in the aggregation of impurity atoms. And the aggregation ability of impurity atoms were discussed based on the atomic radius, displacement energy, lattice binding energy and surface binding energy.

Mobility and coalescence of stacking fault tetrahedra in Cu

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

Martínez, Enrique; Uberuaga, Blas P.

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

DOE PAGES

Martínez, Enrique; Uberuaga, Blas P.

2015-03-13

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs canmore » diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects.« less

Mobility and coalescence of stacking fault tetrahedra in Cu

PubMed Central

Martínez, Enrique; Uberuaga, Blas P.

2015-01-01

Stacking fault tetrahedra (SFTs) are ubiquitous defects in face-centered cubic metals. They are produced during cold work plastic deformation, quenching experiments or under irradiation. From a dislocation point of view, the SFTs are comprised of a set of stair-rod dislocations at the (110) edges of a tetrahedron bounding triangular stacking faults. These defects are extremely stable, increasing their energetic stability as they grow in size. At the sizes visible within transmission electron microscope they appear nearly immobile. Contrary to common belief, we show in this report, using a combination of molecular dynamics and temperature accelerated dynamics, how small SFTs can diffuse by temporarily disrupting their structure through activated thermal events. More over, we demonstrate that the diffusivity of defective SFTs is several orders of magnitude higher than perfect SFTs, and can be even higher than isolated vacancies. Finally, we show how SFTs can coalesce, forming a larger defect in what is a new mechanism for the growth of these omnipresent defects. PMID:25765711

Stress and efficiency studies in EFG

NASA Technical Reports Server (NTRS)

1986-01-01

The goals of this program were: (1) to define minimum stress configurations for silicon sheet growth at high speeds; (2) to quantify dislocation electrical activity and their limits on minority carrier diffusion length in deformed silicon; and (3) to study reasons for degradation of lifetime with increases in doping level in edge-defined film-fed growth (EFG) materials. A finite element model was developed for calculating residual stress with plastic deformation. A finite element model was verified for EFG control variable relationships to temperature field of the sheet to permit prediction of profiles and stresses encountered in EFG systems. A residual stress measurement technique was developed for finite size EFG material blanks using shadow Moire interferometry. Transient creep response of silicon was investigated in the temperature range between 800 and 1400 C in strain and strain regimes of interest in stress analysis of sheet growth. Quantitative relationships were established between minority carrier diffusion length and dislocation densities using Electron Beam Induced Current (EBIC) measurement in FZ silicon deformed in four point bending tests.

Microscale cavitation as a mechanism for nucleating earthquakes at the base of the seismogenic zone.

PubMed

Verberne, Berend A; Chen, Jianye; Niemeijer, André R; de Bresser, Johannes H P; Pennock, Gillian M; Drury, Martyn R; Spiers, Christopher J

2017-11-21

Major earthquakes frequently nucleate near the base of the seismogenic zone, close to the brittle-ductile transition. Fault zone rupture at greater depths is inhibited by ductile flow of rock. However, the microphysical mechanisms responsible for the transition from ductile flow to seismogenic brittle/frictional behaviour at shallower depths remain unclear. Here we show that the flow-to-friction transition in experimentally simulated calcite faults is characterized by a transition from dislocation and diffusion creep to dilatant deformation, involving incompletely accommodated grain boundary sliding. With increasing shear rate or decreasing temperature, dislocation and diffusion creep become too slow to accommodate the imposed shear strain rate, leading to intergranular cavitation, weakening, strain localization, and a switch from stable flow to runaway fault rupture. The observed shear instability, triggered by the onset of microscale cavitation, provides a key mechanism for bringing about the brittle-ductile transition and for nucleating earthquakes at the base of the seismogenic zone.

Electrical properties of grain boundaries and dislocations in crystalline silicon: Influence of impurity incorporation and hydrogenation

NASA Astrophysics Data System (ADS)

Park, Yongkook

This thesis examines the electrical properties of grain boundaries (GBs) and dislocations in crystalline silicon. The influence of impurity incorporation and hydrogenation on the electrical properties of grain boundaries , as well as the electrical activity of impurity decorated dislocations and the retention of impurities at dislocations at high temperatures have been investigated. The electrical properties of Si GB were examined by C-V, J-V , and capacitance transient methods using aluminum/Si(100)/Si(001) junctions. First, the density of states and the carrier capture cross-sections of the clean GB were evaluated by C-V/J-V analyses. The density of GB states was determined as 4.0x1012 cm-2eV -1. It was found that the states close to the valance band edge have relatively smaller hole capture cross sections than those at higher energy position, and electron capture cross sections are at least two or three orders larger than the corresponding hole capture cross sections. Secondly, the influence of iron contamination and hydrogenation following iron contamination on the electrical properties of (110)/(001) Si GB was characterized by a capacitance transient technique. Compared with the clean sample, iron contamination increased both the density of states by at least three times and the zero-bias barrier height by 70 meV, while reducing by two orders of magnitude the electron/hole capture cross-section ratio. Hydrogenation following iron contamination led to the reduction of the density of Fe-decorated GB states, which was increased to over 2x1013 cm-2eV-1 after iron contamination, to ˜1x1013 cm-2 eV-1 after hydrogenation treatment. The increased zero-bias GB energy barrier due to iron contamination was reversed as well by hydrogen treatment. The density of GB states before and after hydrogenation was evaluated by J-V, C-V and capacitance transient methods using gold/direct-silicon-bonded (DSB) (110) thin silicon top layer/(100) silicon substrate junctions. The GB potential energy barrier in thermal equilibrium was reduced by 70 meV. Whereas the clean sample had a density of GB states of ˜6x1012 cm-2eV-1 in the range of Ev+0.54˜0.64 eV, hydrogenation reduced the density of GB states to ˜9x1011 cm-2eV -1 in the range of Ev+0.56˜0.61 eV, which is about a seven-fold reduction from that of the clean sample. Segregation and thermal dissociation kinetics of hydrogen at a large-angle general GB in crystalline silicon have been investigated using deuterium as a readily identifiable isotope which duplicates hydrogen chemistry. Segregation or trapping of deuterium (hydrogen) introduced was found to take place at (110)/(001) Si GB. The segregation coefficient (k) of deuterium (hydrogen) at GB was determined as k≈24+/-3 at 100°C. Thermal dissociation of deuterium (hydrogen) from GB obeyed first-order kinetics with an activation energy of ˜1.62 eV. The electrical activities of dislocations in a SiGe/Si heterostructure were examined by deep level transient spectroscopy (DLTS) after iron contamination and phosphorous diffusion gettering. DLTS of iron contaminated samples revealed a peak at 210 K, which was assigned to individual iron atoms or very small (<2 nm) precipitates decorated along dislocations. Arrhenius plot of the 210 K peak yielded a hole capture cross section of 2.4x10-14 cm2 and an energy level of 0.42 eV above the valance band. DLTS of the iron contaminated sample revealed that 6x10 14 cm-3 of boron can more effectively trap interstitial iron at room temperature than the strain field/defect sites at 107 ˜108 cm-2 dislocations. Phosphorous diffusion experiments revealed that the gettering efficiency of iron impurities depends on the dislocation density. For regions of high dislocation density, phosphorous diffusion cannot remove all iron impurities decorated at dislocations, suggesting a strong binding of iron impurities at dislocation core defects.

Abnormal Strain Rate Sensitivity Driven by a Unit Dislocation-Obstacle Interaction in bcc Fe

NASA Astrophysics Data System (ADS)

Bai, Zhitong; Fan, Yue

2018-03-01

The interaction between an edge dislocation and a sessile vacancy cluster in bcc Fe is investigated over a wide range of strain rates from 108 down to 103 s-1 , which is enabled by employing an energy landscape-based atomistic modeling algorithm. It is observed that, at low strain rates regime less than 105 s-1 , such interaction leads to a surprising negative strain rate sensitivity behavior because of the different intermediate microstructures emerged under the complex interplays between thermal activation and applied strain rate. Implications of our findings regarding the previously established global diffusion model are also discussed.

High-temperature in-situ TEM straining of the interaction with dislocations and particles for Cu-added ferritic stainless steel.

PubMed

Kobayashi, Shuhei; Kaneko, Kenji; Yamada, Kazuhiro; Kikuchi, Masao; Kanno, Norihiro; Hamada, Junichi

2014-11-01

IntroductionCu is always present in the matrix when ferritic steels were prepared from ferrous scrap. When the ferritic steels are aged thermally, Cu precipitates start appear and disperse finely and homogeneously [1], which may make the steels strengthened by precipitation hardening. In this study, the interaction between Cu precipitates and dislocations was exmined via high-temperature in-situ TEM straining. ExperimentalCu-added ferritic stainless steel (Fe-18.4%Cr-1.5%Cu) was used in the present study. Specimen was aged at1073 K for 360 ks. Samples for TEM observation were prepared by focused ion beam (FIB; Quanta 3D 200i) method. Microstructure of specimen was analyzed by JEM-3200FSK and high-temperature in-situ TEM straining was conducted using JEM-1300NEF. Results and discussionInteraction between Cu precipitates and dislocation is seen from consecutive TEM images acquired by in-situ TEM straining at 1073 K, as shown in Fig.1. The size of Cu precipitates was about 70 nm and several dislocations were present within the field of view. In particular, progressing dislocations contacted with the Cu precipitate at right angle, as indicated by arrows in Fig.1 (b) to (d). This result implies that there is an attractive interaction between dislocations and the Cu precipitate. This is attributed to the fact that Stress field of dislocations was easily relaxed in interface between the Cu precipitate and matrix because of lattice and interface diffusion as well as slip in the interface [2,3]. Furthermore, dislocations pass through the particle after contacting it, so that the interaction with dislocations and particles should be explained by Srolovitz mechanism [4].jmicro;63/suppl_1/i28/DFU083F1F1DFU083F1Fig. 1.TEM images foucused on interaction with dislocations and partticles. © The Author 2014. 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.

Heat transfer device

NASA Technical Reports Server (NTRS)

Eaton, L. R. (Inventor)

1976-01-01

An improved heat transfer device particularly suited for use as an evaporator plate in a diffusion cloud chamber. The device is characterized by a pair of mutually spaced heat transfer plates, each being of a planar configuration, having a pair of opposed surfaces defining therebetween a heat pipe chamber. Within the heat pipe chamber, in contiguous relation with the pair of opposed surfaces, there is disposed a pair of heat pipe wicks supported in a mutually spaced relationship by a foraminous spacer of a planar configuration. A wick including a foraminous layer is contiguously related to the external surfaces of the heat transfer plates for uniformly wetting these surfaces.

Superolateral dislocation of the intact mandibular condyle associated with panfacial fracture: a case report and literature review.

PubMed

Amaral, Márcio Bruno; Bueno, Sebastião Cristian; Silva, Alice Araújo Ferreira; Mesquita, Ricardo Alves

2011-06-01

Superolateral dislocation of the intact mandibular condyle (SDIMC) is rare. This case report focuses on a 15-year-old teenager who was involved in a motor vehicle accident as well a literature review regarding the SDIMC. Clinical examination demonstrated a diffuse edema in the midfacial area and a left lateral deflection of the mandible, including an open bite and a crepitation in the symphyseal region. Three-dimensional computed tomography scans were taken, which presented a superolateral dislocation of the left mandibular condyle as well as panfacial fracture. The patient was set in intermaxillary fixation for 2 weeks and underwent subsequent active jaw physiotherapy, the evaluation of which presented satisfactory results. This case study also presents a literature review, which demonstrated 21 well-documented cases of SDIMC. The patients' mean age was of 29 years. The male gender proved to be more prevalent, with road traffic collisions representing the most common form of accident. Type II, with unilateral dislocation, proved to be the most common. The mean reduction time was 7 days. The open methods were the most commonly used reduction methods. Mandible fracture was associated with dislocation in 82% of the cases, with other facial fractures appearing in only 23% of the cases. Patient follow up presented satisfactory results in 59% of the cases. © 2011 John Wiley & Sons A/S.

Delayed plastic relaxation limit in SiGe islands grown by Ge diffusion from a local source

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

Vanacore, G. M.; Zani, M.; Tagliaferri, A., E-mail: alberto.tagliaferri@polimi.it

2015-03-14

The hetero-epitaxial strain relaxation in nano-scale systems plays a fundamental role in shaping their properties. Here, the elastic and plastic relaxation of self-assembled SiGe islands grown by surface-thermal-diffusion from a local Ge solid source on Si(100) are studied by atomic force and transmission electron microscopies, enabling the simultaneous investigation of the strain relaxation in different dynamical regimes. Islands grown by this technique remain dislocation-free and preserve a structural coherence with the substrate for a base width as large as 350 nm. The results indicate that a delay of the plastic relaxation is promoted by an enhanced Si-Ge intermixing, induced by themore » surface-thermal-diffusion, which takes place already in the SiGe overlayer before the formation of a critical nucleus. The local entropy of mixing dominates, leading the system toward a thermodynamic equilibrium, where non-dislocated, shallow islands with a low residual stress are energetically stable. These findings elucidate the role of the interface dynamics in modulating the lattice distortion at the nano-scale, and highlight the potential use of our growth strategy to create composition and strain-controlled nano-structures for new-generation devices.« less

Pipe wall damage detection by electromagnetic acoustic transducer generated guided waves in absence of defect signals.

PubMed

Vasiljevic, Milos; Kundu, Tribikram; Grill, Wolfgang; Twerdowski, Evgeny

2008-05-01

Most investigators emphasize the importance of detecting the reflected signal from the defect to determine if the pipe wall has any damage and to predict the damage location. However, often the small signal from the defect is hidden behind the other arriving wave modes and signal noise. To overcome the difficulties associated with the identification of the small defect signal in the time history plots, in this paper the time history is analyzed well after the arrival of the first defect signal, and after different wave modes have propagated multiple times through the pipe. It is shown that the defective pipe can be clearly identified by analyzing these late arriving diffuse ultrasonic signals. Multiple reflections and scattering of the propagating wave modes by the defect and pipe ends do not hamper the defect detection capability; on the contrary, it apparently stabilizes the signal and makes it easier to distinguish the defective pipe from the defect-free pipe. This paper also highlights difficulties associated with the interpretation of the recorded time histories due to mode conversion by the defect. The design of electro-magnetic acoustic transducers used to generate and receive the guided waves in the pipe is briefly described in the paper.

α″ Martensite and Amorphous Phase Transformation Mechanism in TiNbTaZr Alloy Incorporated with TiO2 Particles During Friction Stir Processing

NASA Astrophysics Data System (ADS)

Ran, Ruoshi; Liu, Yiwei; Wang, Liqiang; Lu, Eryi; Xie, Lechun; Lu, Weijie; Wang, Kuaishe; Zhang, Lai-Chang

2018-03-01

This work studied the formation of the α″ martensite and amorphous phases of TiNbTaZr alloy incorporated with TiO2 particles during friction stir processing. Formation of the amorphous phase in the top surface mainly results from the dissolution of oxygen, rearrangement of the lattice structure, and dislocations. High-stress stemming caused by dislocations and high-stress concentrations at crystal-amorphous interfaces promote the formation of α″ martensite. Meanwhile, an α″ martensitic transformation is hindered by oxygen diffusion from TiO2 to the matrix, thereby increasing resistance to shear.

Stress studies in EFG

NASA Technical Reports Server (NTRS)

1984-01-01

Electrical characterization of defects induced in FZ and CZ silicon stress in four-point bending above 1200 C was started. Techniques to study electrical activity that will permit correlation of defect activity with diffusion length and with room and low temperature EBIC are being developed. Preliminary characterization of defects in ribbon grown at very low speeds of less than 1 cm/min shows that the dislocation density is very low over significant regions of cross section, while regions of high dislocation density (approx. 5 x 10(6)/cm(2)) occur in bands in a number of places. Addition measurements of stress distributions in EFG material were obtained at the University of Illinois using shadow-Moire interferometry.

α″ Martensite and Amorphous Phase Transformation Mechanism in TiNbTaZr Alloy Incorporated with TiO2 Particles During Friction Stir Processing

NASA Astrophysics Data System (ADS)

Ran, Ruoshi; Liu, Yiwei; Wang, Liqiang; Lu, Eryi; Xie, Lechun; Lu, Weijie; Wang, Kuaishe; Zhang, Lai-Chang

2018-06-01

This work studied the formation of the α″ martensite and amorphous phases of TiNbTaZr alloy incorporated with TiO2 particles during friction stir processing. Formation of the amorphous phase in the top surface mainly results from the dissolution of oxygen, rearrangement of the lattice structure, and dislocations. High-stress stemming caused by dislocations and high-stress concentrations at crystal-amorphous interfaces promote the formation of α″ martensite. Meanwhile, an α″ martensitic transformation is hindered by oxygen diffusion from TiO2 to the matrix, thereby increasing resistance to shear.

Effects of fO2, fH2O and aoxide on formation and density of extended planar defects in olivine

NASA Astrophysics Data System (ADS)

Burgess, K.; Cooper, R. F.

2011-12-01

Melt inclusions are used in geochemistry to inform our understanding of many physiochemical processes taking place in the mantle, such as melting, melt-rock interactions and magma mixing. Fundamental to this interpretation of melt inclusions is the assumption that they act as closed systems, i.e., they are chemically isolated after trapping and preserve primitive magma compositions. However, recent work indicates that volatiles (e.g., H and F) can be rapidly reset [Portnyagin et al., 2008], and the diffusion mechanisms and rates in tracer diffusion experiments, specifically of REEs, are a matter of some debate [Spandler and O'Neill, 2010; Cherniak, 2010]. The compendium of observations and experiments suggests a role of planar extended defects in effecting and affecting diffusion kinetics in olivine. Planar extended defects are the exothermic condensation of charged point defects into two-dimensional structures, their third dimension insufficient (i.e., sub-unit cell) to describe them as a unique phase. These planar defects, in a manner similar to mechanisms of "pipe" diffusion along dislocations and of grain boundary diffusion, can lead to measured diffusivities far greater than the lattice diffusivity, and their overall effect on flux is proportional to their spatial density [cf. Hart, 1957]. High-resolution TEM and AEM investigation of experimental olivine-basalt samples show the presence of planar defects near the olivine-melt interface, with the area fraction of the high-contrast defects in the images being greatest at high fO2 and/or fH2O while temperature has an effect on the defect dimensions but not total areal density. EDS analysis of the interface regions indicate high Ti/Ca and Ti/Al ratios compared to the glass; the stability of intercalated humite-type defects in olivine, a planar defect type found in some natural olivines [e.g., Risold et al., 2001; Hermann et al., 2007], is increased to higher temperature by the incorporation of Ti. Activities of oxides clearly affect the presence and density of the defects. Olivine-ilmenite experiments were also carried out in varying fO2 and fH2O conditions. Thermodynamic calculations for concentrations of point defects, defect association(s) and defect condensation in olivine can relate experimental data for measured diffusivities to discerning natural conditions where condensed-defect, fast-path diffusion in olivine could be significant. Planar extended defects can potentially play a role in the kinetics of deformation of olivine in the mantle, particularly as the condensation reaction lowers the activity of mobile point defects. Cherniak, Am. Mineral. 95 (2010) 362-368. Hart, Acta Met. 5 (1957) 597. Hermann et al., Contrib. Mineral. Petrol. 153 (2007) 417-428. Portnyagin et al., Earth Planet. Sci.Lett. 272 (2008) 541-552. Risold et al., Contrib. Mineral. Petrol. 142 (2001) 619-628. Spandler and O'Neill, Contrib. Mineral. Petrol. 159 (2010) 791-818.

Hardening mechanisms in olivine single crystal deformed at 1090 °C: an electron tomography study

NASA Astrophysics Data System (ADS)

Mussi, Alexandre; Cordier, Patrick; Demouchy, Sylvie; Hue, Benoit

2017-11-01

The dislocation microstructures in a single crystal of olivine deformed experimentally in uniaxial compression at 1090 °C and under a confining pressure of 300 MPa, have been investigated by transmission electron tomography in order to better understand deformation mechanisms at the microscale relevant for lithospheric mantle deformations. Investigation by electron tomography reveals microstructures, which are more complex than previously described, composed of ? and ? dislocations commonly exhibiting 3D configurations. Numerous mechanisms such as climb, cross-slip, double cross-slip as well as interactions like junction formations and collinear annihilations are the source of this complexity. The diversity observed advocates for microscale deformation of olivine significantly less simple than classic dislocation creep reported in metals or ice close to melting temperature. Deciphering mechanism of hardening in olivine at temperatures where ionic diffusion is slow and is then expected to play very little role is crucial to better understand and thus model deformation at larger scale and at temperatures (900-1100 °C) highly relevant for the lithospheric mantle.

On Roesler and Arzt's new model of creep in dispersion strengthened alloys

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

Orlova, A.; Cadek, J.

1992-08-01

The model of creep in dispersion (noncoherent particle) strengthened alloys assuming thermally activated detachment of dislocations from particles to be the rate controlling process, recently presented by Roesler and Arzt (1990), is correlated with some available creep and structure data for aluminum alloys strengthened by Al4C3 and Al2O3 particles. It is shown that though the model requires applied stress dependent apparent activation energy of creep, the stress dependence of creep rate can be satisfactorily accounted for even when this activation energy is stress independent, admitting a strong stress dependence of the preexponential structure factor, i.e., of the mobile dislocation density.more » On the other hand, the model is not able to account for the temperature dependence of creep rate if it is significantly stronger than that of the coefficient of lattice diffusion, as is usually the case with alloys strengthened by noncoherent particles in which the attractive dislocation/particle interaction can be expected. 14 refs.« less

Modeling of defect-tolerant thin multi-junction solar cells for space application

NASA Astrophysics Data System (ADS)

Mehrotra, A.; Alemu, A.; Freundlich, A.

2012-02-01

Using drift-diffusion model and considering experimental III-V material parameters, AM0 efficiencies of lattice-matched multijunction solar cells have been calculated and the effects of dislocations and radiation damage have been analyzed. Ultrathin multi-junction devices perform better in presence of dislocations or/and radiation harsh environment compared to conventional thick multijunction devices. Our results show that device design optimization of Ga0.51In0.49P/GaAs multijunction devices leads to an improvement in EOL efficiency from 4.8%, for the conventional thick device design, to 12.7%, for the EOL optimized thin devices. In addition, an optimized defect free lattice matched Ga0.51In0.49P/GaAs solar cell under 1016cm-2 1Mev equivalent electron fluence is shown to give an EOL efficiency of 12.7%; while a Ga0.51In0.49P/GaAs solar cell with 108 cm-2 dislocation density under 1016cm-2 electron fluence gives an EOL efficiency of 12.3%. The results suggest that by optimizing the device design, we can obtain nearly the same EOL efficiencies for high dislocation metamorphic solar cells and defect filtered metamorphic multijunction solar cells. The findings relax the need for thick or graded buffer used for defect filtering in metamorphic devices. It is found that device design optimization allows highly dislocated devices to be nearly as efficient as defect free devices for space applications.

The "Long Pipe" in CICLoPE: A Design for Detailed Turbulence Measurements

NASA Astrophysics Data System (ADS)

Talamelli, A.; Bellani, G.; Rossetti, A.

A new facility to study high Reynolds number wall bounded turbulent flow has been designed. It will be installed in the laboratory of Center for International Collaboration on Long Pipe Experiments "CICLoPE" in Predappio (Italy). The facility consists of a large pipe, allowing to reach high Reynolds numbers, where all turbulent scales can be resolved with standard measurement techniques. The pipe operates with air at ambient conditions with a maximum speed of 60 m/s in order to avoid any compressibility effect. In order to maintain stable conditions over long period of time the pipe is part of a close loop circuit. The pipe will be located in a tunnel 60 m underground, thus ensuring very low level of external perturbations. The layout resembles an ordinary wind tunnel where the main difference is the long test section, which produces most of the friction losses. This requires the use of a multiple stage axial fan driven by two independent motors. Even though many of the various aerodynamic components are similar to those ordinary used in wind tunnel (corners, diffusers, turbulence manipulators, contraction, etc.) they have been designed aiming at obtaining a very good quality of the flow and minimizing the overall pressure losses.

­­Clastic Pipes on Mars: Evidence for a Near Surface Groundwater System

NASA Astrophysics Data System (ADS)

Wheatley, D. F.; Chan, M. A.; Okubo, C. H.

2017-12-01

Clastic pipes, a type of vertical, columnar injectite, occur throughout the terrestrial stratigraphic record and are identified across many Martian terrains. Terrestrial pipe analogs can aid in identifying clastic pipes on Mars to understand their formation processes and their implications for a past near-surface groundwater system. On Earth, clastic pipes form through fluidization of overpressurized sediment. Fluidization occurs when the upward frictional (i.e., drag) forces of escaping fluids overpower the downward acting gravitational force. To create the forces necessary for pipe formation requires overpressurization of a body of water-saturated porous media overlain by a low permeability confining layer. As the pressure builds, the confining layer eventually fractures and the escaping fluids fluidize the porous sediment causing the sediment to behave like a fluid. These specific formation conditions record evidence of a violent release of fluid-suspended sediment including brecciation of the host and sealing material, internal outward grading/sorting that results in a coarser-grained commonly better cemented outer rind, traction structures, and a cylindrical geometry. Pipes form self-organized, dispersed spatial relationships due to the efficient diffusion of overpressured zones in the subsurface and the expulsion of sediment under pressure. Martian pipes occur across the northern lowlands, dichotomy boundary, and southern highlands in various forms of erosional relief ranging from newer eruption structures to eroded cylindrical/conical mounds with raised rims to highly eroded mounds/hills. Similar to terrestrial examples, Martian pipes form in evenly-spaced, self-organized arrangements. The pipes are typically internally massive with a raised outer rim (interpreted as a sorted, coarser-grained, better-cemented rim). This evidence indicates that Martian pipes formed through fluidization, which requires a near-surface groundwater system. Pipes create a window into the subsurface by excavating subsurface sediment and waters. After emplacement, pipes can also act as fluid conduits, channeling post-depositional fluid flow. The preferential porosity and flow paths may make the pipes an ideal exploration target for microbial life.

Hydrogen assisted cracking and CO2 corrosion behaviors of low-alloy steel with high strength used for armor layer of flexible pipe

NASA Astrophysics Data System (ADS)

Liu, Zhenguang; Gao, Xiuhua; Du, Linxiu; Li, Jianping; Zhou, Xiaowei; Wang, Xiaonan; Wang, Yuxin; Liu, Chuan; Xu, Guoxiang; Misra, R. D. K.

2018-05-01

In this study, hydrogen induced cracking (HIC), sulfide stress corrosion cracking (SSCC) and hydrogen embrittlement (HE) were carried out to study hydrogen assisted cracking behavior (HIC, SSCC and HE) of high strength pipeline steel used for armor layer of flexible pipe in ocean. The CO2 corrosion behavior of designed steel with high strength was studied by using immersion experiment. The experimental results demonstrate that the corrosion resistance of designed steel with tempered martensite to HIC, SSCC and HE is excellent according to specific standards, which contributes to the low concentration of dislocation and vacancies previously formed in cold rolling process. The corrosion mechanism of hydrogen induced cracking of designed steel, which involves in producing process, microstructure and cracking behavior, is proposed. The designed steel with tempered martensite shows excellent corrosion resistance to CO2 corrosion. Cr-rich compound was first formed on the coupon surface exposed to CO2-saturated brine condition and chlorine, one of the corrosion ions in solution, was rich in the inner layer of corrosion products.

Crystal plasticity modeling of irradiation growth in Zircaloy-2

DOE PAGES

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

2017-05-10

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

Crystal plasticity modeling of irradiation growth in Zircaloy-2

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

Patra, Anirban; Tome, Carlos; Golubov, Stanislav I.

A reaction-diffusion based mean field rate theory model is implemented in the viscoplastic self-consistent (VPSC) crystal plasticity framework to simulate irradiation growth in hcp Zr and its alloys. A novel scheme is proposed to model the evolution (both number density and radius) of irradiation-induced dislocation loops that can be informed directly from experimental data of dislocation density evolution during irradiation. This framework is used to predict the irradiation growth behavior of cold-worked Zircaloy-2 and trends compared to available experimental data. The role of internal stresses in inducing irradiation creep is discussed. Effects of grain size, texture, and external stress onmore » the coupled irradiation growth and creep behavior are also studied.« less

Critical Issues on Materials for Gen-IV Reactors

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

Caro, M; Marian, J; Martinez, E

2009-02-27

Within the LDRD on 'Critical Issues on Materials for Gen-IV Reactors' basic thermodynamics of the Fe-Cr alloy and accurate atomistic modeling were used to help develop the capability to predict hardening, swelling and embrittlement using the paradigm of Multiscale Materials Modeling. Approaches at atomistic and mesoscale levels were linked to build-up the first steps in an integrated modeling platform that seeks to relate in a near-term effort dislocation dynamics to polycrystal plasticity. The requirements originated in the reactor systems under consideration today for future sources of nuclear energy. These requirements are beyond the present day performance of nuclear materials andmore » calls for the development of new, high temperature, radiation resistant materials. Fe-Cr alloys with 9-12% Cr content are the base matrix of advanced ferritic/martensitic (FM) steels envisaged as fuel cladding and structural components of Gen-IV reactors. Predictive tools are needed to calculate structural and mechanical properties of these steels. This project represents a contribution in that direction. The synergy between the continuous progress of parallel computing and the spectacular advances in the theoretical framework that describes materials have lead to a significant advance in our comprehension of materials properties and their mechanical behavior. We took this progress to our advantage and within this LDRD were able to provide a detailed physical understanding of iron-chromium alloys microstructural behavior. By combining ab-initio simulations, many-body interatomic potential development, and mesoscale dislocation dynamics we were able to describe their microstructure evolution. For the first time in the case of Fe-Cr alloys, atomistic and mesoscale were merged and the first steps taken towards incorporating ordering and precipitation effects into dislocation dynamics (DD) simulations. Molecular dynamics (MD) studies of the transport of self-interstitial, vacancy and point defect clusters in concentrated Fe-Cr alloys were performed for future diffusion data calculations. A recently developed parallel MC code with displacement allowed us to predict the evolution of the defect microstructures, local chemistry changes, grain boundary segregation and precipitation resulting from radiation enhanced diffusion. We showed that grain boundaries, dislocations and free surfaces are not preferential for alpha-prime precipitation, and explained experimental observations of short-range order (SRO) in Fe-rich FeCr alloys. Our atomistic studies of dislocation hardening allowed us to obtain dislocation mobility functions for BCC pure iron and Fe-Cr and determine for FCC metals the dislocation interaction with precipitates with a description to be used in Dislocation Dynamic (DD) codes. A Synchronous parallel Kinetic Monte Carlo code was developed and tested which promises to expand the range of applicability of kMC simulations. This LDRD furthered the limits of the available science on the thermodynamic and mechanic behavior of metallic alloys and extended the application of physically-based multiscale materials modeling to cases of severe temperature and neutron fluence conditions in advanced future nuclear reactors. The report is organized as follows: after a brief introduction, we present the research activities, and results obtained. We give recommendations on future LLNL activities that may contribute to the progress in this area, together with examples of possible research lines to be supported.« less

Apparatus for purifying exhaust gases of internal combustion engines

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

Kakinuma, O.; Oya, H.

1980-06-03

Apparatus for purifying the exhaust gases of internal combustion engines is disclosed is comprised of a pair of upstream exhaust pipes, a catalytic converter, and a downstream exhaust pipe. The catalytic converter comprises a shell having an inlet chamber, catalyst chamber, and an outlet chamber. The axial lines of the inlet ports are arranged to cross each other in the inlet chamber at a position near, but upstream of, the upstream facing end of said monolithic catalyst element, so that gas flow can diffuse to the entire plane of the element.

Taylor dispersion of colloidal particles in narrow channels

NASA Astrophysics Data System (ADS)

Sané, Jimaan; Padding, Johan T.; Louis, Ard A.

2015-09-01

We use a mesoscopic particle-based simulation technique to study the classic convection-diffusion problem of Taylor dispersion for colloidal discs in confined flow. When the disc diameter becomes non-negligible compared to the diameter of the pipe, there are important corrections to the original Taylor picture. For example, the colloids can flow more rapidly than the underlying fluid, and their Taylor dispersion coefficient is decreased. For narrow pipes, there are also further hydrodynamic wall effects. The long-time tails in the velocity autocorrelation functions are altered by the Poiseuille flow.

Theoretical investigation of microstructure evolution and deformation of zirconium under neutron irradiation

DOE PAGES

Barashev, A. V.; Golubov, S. I.; Stoller, R. E.

2015-06-01

We studied the radiation growth of zirconium using a reaction–diffusion model which takes into account intra-cascade clustering of self-interstitial atoms and one-dimensional diffusion of interstitial clusters. The observed dose dependence of strain rates is accounted for by accumulation of sessile dislocation loops during irradiation. Moreover, the computational model developed and fitted to available experimental data is applied to study deformation of Zr single crystals under irradiation up to hundred dpa. Finally, the effect of cold work and the reasons for negative prismatic strains and co-existence of vacancy and interstitial loops are elucidated.

Deformation mechanisms and grain size evolution in the Bohemian granulites - a computational study

NASA Astrophysics Data System (ADS)

Maierova, Petra; Lexa, Ondrej; Jeřábek, Petr; Franěk, Jan; Schulmann, Karel

2015-04-01

A dominant deformation mechanism in crustal rocks (e.g., dislocation and diffusion creep, grain boundary sliding, solution-precipitation) depends on many parameters such as temperature, major minerals, differential stress, strain rate and grain size. An exemplary sequence of deformation mechanisms was identified in the largest felsic granulite massifs in the southern Moldanubian domain (Bohemian Massif, central European Variscides). These massifs were interpreted to result from collision-related forced diapiric ascent of lower crust and its subsequent lateral spreading at mid-crustal levels. Three types of microstructures were distinguished. The oldest relict microstructure (S1) with large grains (>1000 μm) of feldspar deformed probably by dislocation creep at peak HT eclogite facies conditions. Subsequently at HP granulite-facies conditions, chemically- and deformation- induced recrystallization of feldspar porphyroclasts led to development of a fine-grained microstructure (S2, ~50 μm grain size) indicating deformation via diffusion creep, probably assisted by melt-enhanced grain-boundary sliding. This microstructure was associated with flow in the lower crust and/or its diapiric ascent. The latest microstructure (S3, ~100 μm grain size) is related to the final lateral spreading of retrograde granulites, and shows deformation by dislocation creep at amphibolite-facies conditions. The S2-S3 switch and coarsening was interpreted to be related with a significant decrease in strain rate. From this microstructural sequence it appears that it is the grain size that is critically linked with specific mechanical behavior of these rocks. Thus in this study, we focused on the interplay between grain size and deformation with the aim to numerically simulate and reinterpret the observed microstructural sequence. We tested several different mathematical descriptions of the grain size evolution, each of which gave qualitatively different results. We selected the two most elaborated and at the same time the most promising descriptions: thermodynamics-based models with and without Zener pinning. For conditions compatible with the S1 and S2 microstructures (~800 °C and strain rate ~10-13 s-1), the calculated stable grain sizes are ~30 μm and >300 μm in the models with and without Zener pinning, respectively. This is in agreement with the contrasting grain sizes associated with S1 and S2 microstructures implying that mainly chemically induced recrystallization of S1 feldspar porphyroclasts must had played a fundamental role in the transition into the diffusion creep. The model with pinning also explains only minor changes of mean grain size associated with S2 microstructure. The S2-S3 switch from the diffusion to dislocation creep is difficult to explain when assuming reasonable temperature and strain rate (or stress). However, a simple incorporation of the effect of melt solidification into the model with pinning can mimic this observed switch. Besides the above mentioned simple models with prescribed temperature and strain rate, we implemented the grain size evolution laws into in a 2D thermo-mechanical model setup, where stress, strain rate and temperature evolve in a more natural manner. This setup simulates a collisional evolution of an orogenic root with anomalous lower crust. The lower-crustal material is a source region for diapirs and it deforms via a combination of dislocation and grain-size-sensitive creeps. We tested the influence of selected parameters in the flow laws and in the grain-size evolution laws on the shape and other characteristics of the growing diapirs. The outputs of our simulations were then compared with the geological record from the Moldanubian granulite massifs.

Damage Assessment of Heat Resistant Steels through Electron BackScatter Diffraction Strain Analysis under Creep and Creep-Fatigue Conditions

NASA Astrophysics Data System (ADS)

Fujiyama, Kazunari; Kimachi, Hirohisa; Tsuboi, Toshiki; Hagiwara, Hiroyuki; Ogino, Shotaro; Mizutani, Yoshiki

EBSD(Electron BackScatter Diffraction) analyses were conducted for studying the quantitative microstructural metrics of creep and creep-fatigue damage for austenitic SUS304HTB boiler tube steel and ferritic Mod.9Cr piping steel. KAM(Kernel Average Misorientation) maps and GOS(Grain Orientation Spread) maps were obtained for these samples and the area averaged values KAMave and GOSave were obtained. While the increasing trends of these misorientation metrics were observed for SUS304HTB steel, the decreasing trends were observed for damaged Mod.9Cr steel with extensive recovery of subgrain structure. To establish more universal parameter representing the accumulation of damage to compensate these opposite trends, the EBSD strain parameters were introduced for converting the misorientation changes into the quantities representing accumulated permanent strains during creep and creep-fatigue damage process. As KAM values were dependent on the pixel size (inversely proportional to the observation magnification) and the permanent strain could be expressed as the shear strain which was the product of dislocation density, Burgers vector and dislocation movement distance, two KAM strain parameters MεKAMnet and MεδKAMave were introduced as the sum of product of the noise subtracted KAMnet and the absolute change from initial value δKAMave with dislocation movement distance divided by pixel size. MεδKAMave parameter showed better relationship both with creep strain in creep tests and accumulated creep strain range in creep-fatigue tests. This parameter can be used as the strain-based damage evaluation and detector of final failure.

A three-dimensional turbulent compressible flow model for ejector and fluted mixers

NASA Technical Reports Server (NTRS)

Rushmore, W. L.; Zelazny, S. W.

1978-01-01

A three dimensional finite element computer code was developed to analyze ejector and axisymmetric fluted mixer systems whose flow fields are not significantly influenced by streamwise diffusion effects. A two equation turbulence model was used to make comparisons between theory and data for various flow fields which are components of the ejector system, i.e., (1) turbulent boundary layer in a duct; (2) rectangular nozzle (free jet); (3) axisymmetric nozzle (free jet); (4) hypermixing nozzle (free jet); and (5) plane wall jet. Likewise, comparisons of the code with analytical results and/or other numerical solutions were made for components of the axisymmetric fluted mixer system. These included: (1) developing pipe flow; (2) developing flow in an annular pipe; (3) developing flow in an axisymmetric pipe with conical center body and no fluting and (4) developing fluted pipe flow. Finally, two demonstration cases are presented which show the code's ability to analyze both the ejector and axisymmetric fluted mixers.

Separation dynamics of dense dispersions in laminar pipe flows: An experimental and numerical study

NASA Astrophysics Data System (ADS)

Voulgaropoulos, Victor; Jamshidi, Rashid; Zainal Abidin, M. I. I.; Angeli, Panagiota

2017-11-01

The physical mechanisms governing the separation of dense liquid dispersed flows in pipes are not well understood. In this work, both experiments and numerical simulations are performed to investigate these mechanisms. Liquid-liquid dispersions are generated using a static mixer and their evolution is studied along a horizontal pipe (26mm ID) at laminar flow and input dispersed phase volume fractions up to 50%. To conduct optical measurements (PLIF and PIV) in the dense dispersions, the refractive index of both liquids is matched. Measurements are carried out at two axial locations downstream the mixer (15D and 135D, where D is the pipe diameter). Homogeneous dispersions, observed at 15D, segregate at 135D. The packing of the drops results in asymmetric velocity profiles and high slip velocities. The mixture approach is used in the numerical simulations, including gravity and shear-induced diffusion of drops. The predictions on separation and on velocity fields agree well with the experiments. Research funded by Chevron.

The effect of tungsten on dislocation recovery and precipitation behavior of low-activation martensitic 9Cr steels

NASA Astrophysics Data System (ADS)

Abe, F.; Araki, H.; Noda, T.

1991-10-01

The effect of W on dislocation recovery and precipitation behavior was investigated for martensitic 9Cr-(0,l,2,4)W-0.1C (wt pct) steels after quenching, tempering, and subsequent prolonged aging. The steels were low induced-radioactivation martensitic steels for fusion reactor structures, intended as a possible replacement for conventional (7 to 12)Cr-Mo steels. During tempering after quenching, homogeneous precipitation of fine W2C occurred in martensite, causing secondary hardening between 673 and 823 K. The softening above the secondary hardening temperature shifted to higher temperatures with increasing W concentration, which was correlated with the decrease in self-diffusion rates with increasing W concentration. Carbides M23C6 and M7C3 were precipitated in the 9Cr steel without W after high-temperature tempering at 1023 K. With increasing W concentration, M7C3 was replaced by M23C6, and M6C formed in addition to M23C6. During subsequent aging at temperatures between 823 and 973 K after tempering, the recovery of dislocations, the agglomeration of carbides, and the growth of martensite lath subgrains occurred. Intermetallic Fe2W Laves also precipitated in the δ-ferrite grains of the 9Cr-4W steel. The effect of W on dislocation recovery and precipitation behavior is discussed in detail.

Reduced Moment-Based Models for Oxygen Precipitates and Dislocation Loops in Silicon

NASA Astrophysics Data System (ADS)

Trzynadlowski, Bart

The demand for ever smaller, higher-performance integrated circuits and more efficient, cost-effective solar cells continues to push the frontiers of process technology. Fabrication of silicon devices requires extremely precise control of impurities and crystallographic defects. Failure to do so not only reduces performance, efficiency, and yield, it threatens the very survival of commercial enterprises in today's fiercely competitive and price-sensitive global market. The presence of oxygen in silicon is an unavoidable consequence of the Czochralski process, which remains the most popular method for large-scale production of single-crystal silicon. Oxygen precipitates that form during thermal processing cause distortion of the surrounding silicon lattice and can lead to the formation of dislocation loops. Localized deformation caused by both of these defects introduces potential wells that trap diffusing impurities such as metal atoms, which is highly desirable if done far away from sensitive device regions. Unfortunately, dislocations also reduce the mechanical strength of silicon, which can cause wafer warpage and breakage. Engineers must negotiate this and other complex tradeoffs when designing fabrication processes. Accomplishing this in a complex, modern process involving a large number of thermal steps is impossible without the aid of computational models. In this dissertation, new models for oxygen precipitation and dislocation loop evolution are described. An oxygen model using kinetic rate equations to evolve the complete precipitate size distribution was developed first. This was then used to create a reduced model tracking only the moments of the size distribution. The moment-based model was found to run significantly faster than its full counterpart while accurately capturing the evolution of oxygen precipitates. The reduced model was fitted to experimental data and a sensitivity analysis was performed to assess the robustness of the results. Source code for both models is included. A moment-based model for dislocation loop formation from {311} defects in ion-implanted silicon was also developed and validated against experimental data. Ab initio density functional theory calculations of stacking faults and edge dislocations were performed to extract energies and elastic properties. This allowed the effect of applied stress on the evolution of {311} defects and dislocation loops to be investigated.

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

NASA Technical Reports Server (NTRS)

Daw, Murray S.; Mills, Michael J.

2003-01-01

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

Modeling the evolution of the lower crust with laboratory derived rheological laws under an intraplate strike slip fault

NASA Astrophysics Data System (ADS)

Zhang, X.; Sagiya, T.

2015-12-01

The earth's crust can be divided into the brittle upper crust and the ductile lower crust based on the deformation mechanism. Observations shows heterogeneities in the lower crust are associated with fault zones. One of the candidate mechanisms of strain concentration is shear heating in the lower crust, which is considered by theoretical studies for interplate faults [e.g. Thatcher & England 1998, Takeuchi & Fialko 2012]. On the other hand, almost no studies has been done for intraplate faults, which are generally much immature than interplate faults and characterized by their finite lengths and slow displacement rates. To understand the structural characteristics in the lower crust and its temporal evolution in a geological time scale, we conduct a 2-D numerical experiment on the intraplate strike slip fault. The lower crust is modeled as a 20km thick viscous layer overlain by rigid upper crust that has a steady relative motion across a vertical strike slip fault. Strain rate in the lower crust is assumed to be a sum of dislocation creep and diffusion creep components, each of which flows the experimental flow laws. The geothermal gradient is assumed to be 25K/km. We have tested different total velocity on the model. For intraplate fault, the total velocity is less than 1mm/yr, and for comparison, we use 30mm/yr for interplate faults. Results show that at a low slip rate condition, dislocation creep dominates in the shear zone near the intraplate fault's deeper extension while diffusion creep dominates outside the shear zone. This result is different from the case of interplate faults, where dislocation creep dominates the whole region. Because of the power law effect of dislocation creep, the effective viscosity in the shear zone under intraplate faults is much higher than that under the interplate fault, therefore, shear zone under intraplate faults will have a much higher viscosity and lower shear stress than the intraplate fault. Viscosity contract between inside and outside of the shear zone is smaller under an intraplate situation than in the interplate one, and smaller viscosity difference will result in a wider shear zone.

Hydrogen passivation of n+p and p+n heteroepitaxial InP solar cell structures

NASA Technical Reports Server (NTRS)

Chatterjee, B.; Ringel, S. A.; Hoffman, R., Jr.

1995-01-01

High-efficiency, heteroepitaxial (HE) InP solar cells, grown on GaAs, Si or Ge substrates, are desirable for their mechanically strong, light-weight and radiation-hard properties. However, dislocations, caused by lattice mismatch, currently limit the performance of the HE cells. This occurs through shunting paths across the active photovoltaic junction and by the formation of deep levels. In previous work we have demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of dislocations in specially designed HE InP test structures. In this work, we present the first report of successful hydrogen passivation in actual InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in HE n+n InP cell structures from as-grown values of approximately 10(exp 15)/cm(exp -3), down to 1-2 x 10(exp 13)/cm(exp -3). The deep levels in the p-type base region of the cell structure match those of our earlier p-type test structures, which were attributed to dislocations or related point defect complexes. All dopants were successfully reactivated by a 400 C, 5 minute anneal with no detectable activation of deep levels. I-V analysis indicated a subsequent approximately 10 fold decrease in reverse leakage current at -1 volt reverse bias, and no change in the forward biased series resistance of the cell structure which indicates complete reactivation of the n+ emitter. Furthermore, electrochemical C-V profiling indicates greatly enhanced passivation depth, and hence hydrogen diffusion, for heteroepitaxial structures when compared with identically processed homoepitaxial n+p InP structures. An analysis of hydrogen diffusion in dislocated InP will be discussed, along with comparisons of passivation effectiveness for n+p versus p+n heteroepitaxial cell configurations. Preliminary hydrogen-passivated HE InP cell results will also be presented.

A study of process-related electrical defects in SOI lateral bipolar transistors fabricated by ion implantation

NASA Astrophysics Data System (ADS)

Yau, J.-B.; Cai, J.; Hashemi, P.; Balakrishnan, K.; D'Emic, C.; Ning, T. H.

2018-04-01

We report a systematic study of process-related electrical defects in symmetric lateral NPN transistors on silicon-on-insulator (SOI) fabricated using ion implantation for all the doped regions. A primary objective of this study is to see if pipe defects (emitter-collector shorts caused by locally enhanced dopant diffusion) are a show stopper for such bipolar technology. Measurements of IC-VCE and Gummel currents in parallel-connected transistor chains as a function of post-fabrication rapid thermal anneal cycles allow several process-related electrical defects to be identified. They include defective emitter-base and collector-base diodes, pipe defects, and defects associated with a dopant-deficient region in an extrinsic base adjacent its intrinsic base. There is no evidence of pipe defects being a major concern in SOI lateral bipolar transistors.

Oscillating-Crucible Technique for Silicon Growth

NASA Technical Reports Server (NTRS)

Daud, T.; Dumas, K. A.; Kim, K. M.; Schwuttke, G. H.; Smetana, P.

1984-01-01

Technique yields better mixing of impurities and superior qualiity crystals. Accellerated motion stirs melt which reduces temperature gradients and decreases boundary layer for diffusion of impurities near growing surface. Results better mixing of impurities into melt, decrease in tendency for dendritic growth or cellular growth and crystals with low dislocation density. Applied with success to solution growth and Czochralski growth, resulting in large crystals of superior quality.

Elevated temperature deformation of TD-nickel base alloys

NASA Technical Reports Server (NTRS)

Petrovic, J. J.; Kane, R. D.; Ebert, L. J.

1972-01-01

Sensitivity of the elevated temperature deformation of TD-nickel to grain size and shape was examined in both tension and creep. Elevated temperature strength increased with increasing grain diameter and increasing L/D ratio. Measured activation enthalpies in tension and creep were not the same. In tension, the internal stress was not proportional to the shear modulus. Creep activation enthalpies increased with increasing L/D ratio and increasing grain diameter, to high values compared with that of the self diffusion enthalpy. It has been postulated that two concurrent processes contribute to the elevated temperature deformation of polycrystalline TD-nickel: (1) diffusion controlled grain boundary sliding, and (2) dislocation motion.

Evaluation of physico-chemical characteristics of groundwater of Company Bagh pumping station and its six distribution points in old Jammu City, India.

PubMed

Khajuria, Meenakshi; Dutta, S P S

2011-10-01

To assess water quality of Company Bagh pumping station and its six distribution points, viz. Parade Ground, Mohalla Paharian, Purani Mandi, Malhotrian Street, Raghunathpura and Hari Market in old Jammu city of India, water parameters viz. temperature, turbidity, pH, electrical conductivity, free carbon dioxide, dissolved oxygen, biochemical oxygen demand, chemical oxygen demand, bicarbonate, chloride, calcium, magnesium, total hardness, sodium, potassium, sulphate, silicate, nitrate, phosphate, iron, copper, zinc, lead and chromium were analyzed during the years 2000-2001/2001-2002. There was alteration in water quality parameters in the distribution system caused by entry of sewage, soil, etc. through dislocation, cracks, valve regulators/turncock, defective joints, breakage, etc. in the pipes through crossing and deposits of biofilms inside the pipes, dead ends and their degradation through microbes. Comparison of water quality with National and International Standards revealed that all the parameters were within permissible limits of drinking water standards. Water Quality Index (WQI) of various physico-chemical parameters revealed that the water of Company Bagh pumping station and its six distribution points was fit for human consumption as it was found under the category of good (WQI < 50).

Some experiments to study diffusive transport through a semi interpenetrating polymeric network in the absence and presence of aqueous electrolytes

NASA Astrophysics Data System (ADS)

Biswas, Pritha; Das, Atreyee; Yasmin, Tanvee; Kanjilal, Baishali; Chakrabarti, Haimanti

2018-05-01

The study of ion transport in biological system has become a topic of great current interest. This work presents the diffusive transport properties through a typical semi interpenetrating polymeric network (SIPN) which mimics many characteristic features of the walls of human food pipes. The SIPN matrix has been synthesised from Polyvinyl alcohol, Acrylamide monomer, Glutaraldehyde and Ammonium Per sulphate in our laboratory is utilised to study the diffusive transport in the absence and presence of aqueous electrolyte (KCl) at varying concentrations. The diffusivity of the SIPN polymer hydrogel was estimated by the `Theory of Elastomer' to get an insight into process of Potassium and Chlorine ion transport through the SIPN.

Reduction of numerical diffusion in three-dimensional vortical flows using a coupled Eulerian/Lagrangian solution procedure

NASA Technical Reports Server (NTRS)

Felici, Helene M.; Drela, Mark

1993-01-01

A new approach based on the coupling of an Eulerian and a Lagrangian solver, aimed at reducing the numerical diffusion errors of standard Eulerian time-marching finite-volume solvers, is presented. The approach is applied to the computation of the secondary flow in two bent pipes and the flow around a 3D wing. Using convective point markers the Lagrangian approach provides a correction of the basic Eulerian solution. The Eulerian flow in turn integrates in time the Lagrangian state-vector. A comparison of coarse and fine grid Eulerian solutions makes it possible to identify numerical diffusion. It is shown that the Eulerian/Lagrangian approach is an effective method for reducing numerical diffusion errors.

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.

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.

On the formation and stability of nanometer scale precipitates in ferritic alloys during processing and high temperature service

NASA Astrophysics Data System (ADS)

Alinger, Matthew J.

Iron powders containing ≈14wt%Cr and smaller amounts of W and Ti were mechanically alloyed (MA) by ball milling with Y2O3 and subsequently either hot consolidated by hot extrusion or isostatic pressing, or powder annealed, producing very high densities of nm-scale coherent transition phase precipitates, or Y-Ti-O nano-clusters (NCs), along with fine-scale grains. These so-called nanostructured ferritic alloys (NFAs) manifest very high strength (static and creep) and corrosion-oxidation resistance up to temperatures in excess of 800°C. We used a carefully designed matrix of model MA powders and consolidated alloys to systematically assess the NC evolutions during each processing step, and to explore the combined effects of alloy composition and a number of processing variables, including the milling energy, consolidation method and the time and temperature of annealing of the as-milled powders. The stability of the NCs was also characterized during high-temperate post-consolidation annealing of a commercial NFA, MA957. The micro-nanostructural evolutions, and their effects on the alloy strength, were characterized by a combination of techniques, including XRD, TEM, atom-probe tomography (APT) and positron annihilation spectroscopy (PAS). However, small angle neutron scattering (SANS) was the primary tool used to characterize the nm-scale precipitates. The effect of the micro-nanostructure on the alloy strength was assessed by microhardness measurements. The studies revealed the critical sequence-of-events in forming the NCs, involves dissolution of Y, Ti and O during ball milling. The supersaturated solutes then precipitate during hot consolidation or powder annealing. The precipitate volume fraction increases with both the milling energy and Ti additions at lower consolidation and annealing temperatures (850°C), and at higher processing temperatures (1150°C) both are needed to produce NCs. The non-equilibrium kinetics of NC formation are nucleation controlled and independent of time with an effective activation energy of ≈60 kJ/mole. High temperature precipitate coarsening and transformations to oxide phases show a high effective activation energy (≈880 kJ/mole) and have a time dependence characteristic of a dislocation pipe diffusion mechanism. The NCs act as weak to moderately strong (alpha = 0.1 to 0.5) obstacles that can be sheared by dislocations, where the obstacle strength increases with alpha ≈0.37log(r/2b).

Kinetics of Static Strain Aging in Polycrystalline NiAl-based Alloys

NASA Technical Reports Server (NTRS)

Weaver, M. L.; Kaufman, M. J.; Noebe, R. D.

1996-01-01

The kinetics of yield point return have been studied in two NiAl-based alloys as a function of aging time at temperatures between 300 and 700 K. The results indicate that the upper yield stress increment, Delta sigma(sub u) (i.e., stress difference between the upper yield point and the final flow stress achieved during prestraining), in conventional purity (CP-NiAl) and in high purity carbon-doped (NiAl-C) material first increased with a t(exp 2/3) relationship before reaching a plateau. This behavior suggests that a Cottrell locking mechanism is the cause for yield points in NiAl. In addition, positive y-axis intercepts were observed in plots of Delta sigma(sub u) versus t(exp 2/3) suggesting the operation of a Snoek mechanism. Analysis according to the Cottrell Bilby model of atmosphere formation around dislocations yields an activation energy for yield point return in the range 70 to 76 kJ/mol which is comparable to the activation energy for diffusion of interstitial impurities in bcc metals. It is, thus, concluded that the kinetics of static strain aging in NiAl are controlled by the locking of dislocations by Cottrell atmospheres of carbon atoms around dislocations.

Structural anisotropic properties of a-plane GaN epilayers grown on r-plane sapphire by molecular beam epitaxy

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

Lotsari, A.; Kehagias, Th.; Katsikini, M.

2014-06-07

Heteroepitaxial non-polar III-Nitride layers may exhibit extensive anisotropy in the surface morphology and the epilayer microstructure along distinct in-plane directions. The structural anisotropy, evidenced by the “M”-shape dependence of the (112{sup ¯}0) x-ray rocking curve widths on the beam azimuth angle, was studied by combining transmission electron microscopy observations, Raman spectroscopy, high resolution x-ray diffraction, and atomic force microscopy in a-plane GaN epilayers grown on r-plane sapphire substrates by plasma-assisted molecular beam epitaxy (PAMBE). The structural anisotropic behavior was attributed quantitatively to the high dislocation densities, particularly the Frank-Shockley partial dislocations that delimit the I{sub 1} intrinsic basal stacking faults,more » and to the concomitant plastic strain relaxation. On the other hand, isotropic samples exhibited lower dislocation densities and a biaxial residual stress state. For PAMBE growth, the anisotropy was correlated to N-rich (or Ga-poor) conditions on the surface during growth, that result in formation of asymmetric a-plane GaN grains elongated along the c-axis. Such conditions enhance the anisotropy of gallium diffusion on the surface and reduce the GaN nucleation rate.« less

Influence of attrition milling on nano-grain boundaries

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

Rawers, J.; Cook, D.

1999-03-01

Nanostructured materials have a relatively large proportion of their atoms associated with the grain boundary, and the method used to develop the nano-grains has a strong influence on the resulting grain boundary structure. In this study, attrition milling iron powders and blends of iron powders produced micron-size particles composed of nano-size grains. Mechanical cold-working powder resulted in dislocation generation, multiplication, and congealing that produced grain refinement. As the grain size approached nano-dimensions, dislocations were no longer sustained within the grain and once generated, rapidly diffused to the grain boundary. Dislocations on the grain boundary strained the local lattice structure which,more » as the grain size decreased, became the entire grain. Mechanical alloying of substitutional aluminium atoms into iron powder resulted in the aluminium atoms substituting for iron atoms in the grain boundary cells and providing a grain boundary structure similar to that of the iron powder processed in argon. Attrition milling iron powder in nitrogen gas resulted in nitrogen atoms being adsorbed onto the particle surface. Continued mechanical milling infused the nitrogen atoms into interstitial lattice sites on the grain boundary which also contributed to expanding and straining the local lattice.« less

The Resistive-Wall Instability in Multipulse Linear Induction Accelerators

DOE PAGES

Ekdahl, Carl

2017-05-01

The resistive-wall instability results from the Lorentz force on the beam due to the beam image charge and current. If the beam pipe is perfectly conducting, the electric force due to the image charge attracts the beam to the pipe wall, and the magnetic force due to the image current repels the beam from the wall. For a relativistic beam, these forces almost cancel, leaving a slight attractive force, which is easily overcome by external magnetic focusing. However, if the beam pipe is not perfectly conducting, the magnetic field due to the image current decays on a magnetic-diffusion time scale.more » If the beam pulse is longer than the magnetic diffusion time, the repulsion of the beam tail will be weaker than the repulsion of the beam head. In the absence of an external focusing force, this causes a head-to-tail sweep of the beam toward the wall. This instability is usually thought to be a concern only for long-pulse relativistic electron beams. However, with the advent of multipulse, high current linear induction accelerators, the possibility of pulse-to-pulse coupling of this instability should be investigated. Lastly, we have explored pulse-to-pulse coupling using the linear accelerator model for Dual Axis Radiography for Hydrodynamic Testing beam dynamics code, and we present the results of this paper.« less

The Resistive-Wall Instability in Multipulse Linear Induction Accelerators

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

Ekdahl, Carl

The resistive-wall instability results from the Lorentz force on the beam due to the beam image charge and current. If the beam pipe is perfectly conducting, the electric force due to the image charge attracts the beam to the pipe wall, and the magnetic force due to the image current repels the beam from the wall. For a relativistic beam, these forces almost cancel, leaving a slight attractive force, which is easily overcome by external magnetic focusing. However, if the beam pipe is not perfectly conducting, the magnetic field due to the image current decays on a magnetic-diffusion time scale.more » If the beam pulse is longer than the magnetic diffusion time, the repulsion of the beam tail will be weaker than the repulsion of the beam head. In the absence of an external focusing force, this causes a head-to-tail sweep of the beam toward the wall. This instability is usually thought to be a concern only for long-pulse relativistic electron beams. However, with the advent of multipulse, high current linear induction accelerators, the possibility of pulse-to-pulse coupling of this instability should be investigated. Lastly, we have explored pulse-to-pulse coupling using the linear accelerator model for Dual Axis Radiography for Hydrodynamic Testing beam dynamics code, and we present the results of this paper.« less

Hydrogen-assisted stable crack growth in iron-3 wt% silicon steel

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

Marrow, T.J.; Prangnell, P.; Aindow, M.

1996-08-01

Observations of internal hydrogen cleavage in Fe-3Si are reported. Hydrogen-assisted stable crack growth (H-SCG) is associated with cleavage striations of a 300 nm spacing, observed using scanning electron microscopy (SEM) and atomic force microscopy (AFM). High resolution SEM revealed finer striations, previously undetected, with a spacing of approximately 30 nm. These were parallel to the coarser striations. Scanning tunneling microscopy (STM) also showed the fine striation spacing, and gave a striation height of approximately 15 nm. The crack front was not parallel to the striations. Transmission electron microscopy (TEM) of crack tip plastic zones showed {l_brace}112{r_brace} and {l_brace}110{r_brace} slip, withmore » a high dislocation density (around 10{sup 14}m{sup {minus}2}). The slip plane spacing was approximately 15--30 nm. Parallel arrays of high dislocation density were observed in the wake of the hydrogen cleavage crack. It is concluded that H-ScG in Fe-3Si occurs by periodic brittle cleavage on the {l_brace}001{r_brace} planes. This is preceded by dislocation emission. The coarse striations are produced by crack tip blunting and the fine striations by dislocations attracted by image forces to the fracture surface after cleavage. The effects of temperature, pressure and yield strength on the kinetics of H-SCG can be predicted using a model for diffusion of hydrogen through the plastic zone.« less

Bridgman-type apparatus for the study of growth-property relationships - Arsenic vapor pressure-GaAs property relationship

NASA Technical Reports Server (NTRS)

Parsey, J. M.; Nanishi, Y.; Lagowski, J.; Gatos, H. C.

1982-01-01

A precision Bridgman-type apparatus is described which was designed and constructed for the investigation of relationships between crystal growth parameters and the properties of GaAs crystals. Several key features of the system are highlighted, such as the use of a heat pipe for precise arsenic vapor pressure control and seeding without the presence of a viewing window. Pertinent growth parameters, such as arsenic source temperature, thermal gradients in the growing crystal and in the melt, and the macroscopic growth velocity can be independently controlled. During operation, thermal stability better than + or - 0.02 C is realized; thermal gradients can be varied up to 30 C/cm in the crystal region, and up to 20 C/cm in the melt region; the macroscopic growth velocity can be varied from 50 microns/hr to 6.0 cm/hr. It was found that the density of dislocations depends critically on As partial pressure; and essentially dislocation-free, undoped, crystals were grown under As pressure precisely controlled by an As source maintained at 617 C. The free carrier concentration varied with As pressure variations. This variation in free carrier concentration was found to be associated with variations in the compensation ratio rather than with standard segregation phenomena.

Strengthening of σ phase in a Fe20Cr9Ni cast austenite stainless steel

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

Wang, Y.Q., E-mail: yqwang@ahut.edu.cn; School of Materials Science and Engineering, Anhui University of Technology, Maanshan, Anhui, 243002; Han, J.

2013-10-15

The strengthening mechanism of σ phase in a Fe20Cr9Ni cast austenite stainless steel used for primary coolant pipes of nuclear power plants has been investigated. The yield and ultimate tensile strengths of aged specimens increased comparing with those of the unaged ones. It was found that the increase of strengths is due to the hard and brittle (σ + γ{sub 2}) structure which decomposed from α phase in the steel. Fracture surfaces of specimens after in situ tensile test showed that the inhibition of (σ + γ{sub 2}) structure on the dislocation movements was more significant than ferrite although cracksmore » started predominately at σ/γ{sub 2} interfaces. The (σ + γ{sub 2}) structure behaves like a fiber reinforced composite material. - Highlights: • The strengthening mechanism of σ phase in a Fe20Cr9Ni CASS is investigated. • The yield and ultimate tensile strengths increase with increasing of σ phase. • The increase of strengths is due to hard and brittle (σ + γ{sub 2}) structure. • The (σ + γ{sub 2}) structure in CASS behaves like a fibre reinforced composite material. • The σ/γ{sub 2} and α/σ/γ{sub 2} boundaries hinder the movement of dislocation.« less

Images of intravitreal objects projected onto posterior surface of model eye.

PubMed

Kawamura, Ryosuke; Shinoda, Kei; Inoue, Makoto; Noda, Toru; Ohnuma, Kazuhiko; Hirakata, Akito

2013-11-01

To try to recreate the images reported by patients during vitreous surgery in a model eye. A fluid-filled model eye with a posterior frosted translucent surface which corresponded to the retina was used. Three holes were made in the model eye through which an endoillumination pipe and intraocular forceps could be inserted. A thin plastic sheet simulating an epiretinal membrane and an intraocular lens (IOL) simulating a dislocated IOL were placed on the retina. The images falling on the posterior surface were photographed from the rear. The images seen through the surgical microscope were also recorded. The images from the rear were mirror images of those seen through the surgical microscope. Intraocular instruments were seen as black shafts from the rear. When the plastic sheet was picked up, the tip of the forceps was seen more sharply on the posterior surface. The images of the dislocated IOL from the posterior were similar to that seen through the surgical microscope, including the yellow optics and blue haptics. Intravitreal objects can form images on the surface of a model eye. Objects located closer to the surface are seen more sharply, and the colour of the objects can be identified. © 2013 Acta Ophthalmologica Scandinavica Foundation. Published by John Wiley & Sons Ltd.

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.

Design of a heat pipe governed thermal control system for the Solar Electric Propulsion Stage /SEPS/

NASA Technical Reports Server (NTRS)

Ruttner, L. E.; Wright, J. P.

1975-01-01

A 2200-w capacity spacecraft heat rejection system designed for the SEPS and utilizing heat pipe radiator panels has been investigated. The total thermal control system consists of two radiator panels connected to the heat source by variable conductance heat pipes (VCHP's). The system was designed to operate in the 223 to 333 temperature range. The radiators have an emittance of 0.88 at their operational temperature and a fin efficiency of approximately 80 percent. The radiators are thermally isolated from the SEPS and environment by multilayer insulation and thermal shields. Butane was selected as the working fluid for the VCHP because of its low freezing point (135), which is necessary to prevent diffusion freezeout of the liquid during the cold outbond missions. Helium was selected for the control gas. This paper describes the VCHP system, discusses the system design parameters and presents the results of the analyses.

Fabrication and development of several heat pipe honeycomb sandwich panel concepts. [airframe integrated scramjet engine

NASA Technical Reports Server (NTRS)

Tanzer, H. J.

1982-01-01

The feasibility of fabricating and processing liquid metal heat pipes in a low mass honeycomb sandwich panel configuration for application on the NASA Langley airframe-integrated Scramjet engine was investigated. A variety of honeycomb panel facesheet and core-ribbon wick concepts was evaluated within constraints dictated by existing manufacturing technology and equipment. The chosen design consists of an all-stainless steel structure, sintered screen facesheets, and two types of core-ribbon; a diffusion bonded wire mesh and a foil-screen composite. Cleaning, fluid charging, processing, and process port sealing techniques were established. The liquid metals potassium, sodium and cesium were used as working fluids. Eleven honeycomb panels 15.24 cm X 15.24 cm X 2.94 cm were delivered to NASA Langley for extensive performance testing and evaluation; nine panels were processed as heat pipes, and two panels were left unprocessed.

Biophysical dynamics in disorderly environments.

PubMed

Nelson, David R

2012-01-01

Three areas where time-independent disorder plays a key role in biological dynamics far from equilibrium are reviewed. We first discuss the anomalous localization dynamics that arises when a single species spreads in space and time via diffusion and fluid advection in the presence of frozen heterogeneities in the growth rate. Next we treat the unzipping of double-stranded DNA as a function of force and temperature, a challenge that must be surmounted every time a cell divides. Heterogeneity in the DNA sequence dominates the physics of single-molecule force-extension curves for a broad range of forces upon approaching a sharp unzipping transition. The dynamics of the unzipping fork exhibits anomalous drift and diffusion in a similar range above this transition, with energy barriers that scale as the square root of the genome size. Finally, we describe how activated peptidoglycan strand extension sites, called dislocations in materials science, can mediate the growth of bacterial cell walls. Enzymatically driven circumferential motions of a few dozen of these defects are sufficient to describe the exponential elongation rates observed in experiments on Escherichia coli in a nutrient-rich environment. However, long-range elastic forces transmitted by the peptidoglycan meshwork cause the moving dislocations to interact not only with each other, but also with a disorderly array of frozen, inactivated strand ends.

Ductile failure initiation and evolution in porous polycrystalline aggregates due to interfacial effects

NASA Astrophysics Data System (ADS)

Ashmawi, Waeil Muhammad Al-Anwar

New analytical and computational formulations have been developed for the investigation of micro structurally induced ductile failure mechanisms in porous polycrystalline aggregates with low and high (CSL) angle grain-boundaries (GBs). A multiple-slip rate-dependent crystalline constitutive formulation that is coupled to the evolution of mobile and immobile dislocation densities, a new internal porosity formulation for void nucleation and growth, and specialized computational schemes have been developed to obtain a detailed understanding of the multi-scale interrelated physical mechanisms that result in ductile failure in polycrystalline materials. Comprehensive transmission and pile-up mechanisms have also been introduced to investigate dislocation-density impedance and slip-rate incompatibility at the GBs. The interrelated effects of GB orientation, mobile and immobile dislocation densities, strain hardening, geometrical softening, localized plastic strains, and dislocation-density transmission and blockage on void growth, interaction, and coalescence have been studied. Criteria have been developed to identify and monitor the initiation and development of potential dislocation-density activity sites adjacent to GB regions. These interactions play an important role in the formation of GB pile-up and transmission regions. The effects of GB structure and orientation on ductile failure have been accounted for by the development of GB interfacial kinematic conditions that account for a multitude of dislocation-density interactions with GBs, such as full and partial transmission, impedance, blockage, and absorption. Pile-ups and transmission regions are identified and monitored as the deformation and failure evolve. These kinematic conditions are linked to the initiation and evolution of failure modes by the development of a new internal porosity evolution formulation that accounts for void nucleation and growth. The internal porosity relation is coupled with the proposed dislocation-density based crystalline constitutive formulation, the interfacial GB dislocation-density interaction models, and the specialized computational schemes to obtain detailed predictions of the behavior of aggregates with explicit voids that have different orientations and combinations of sizes, shapes, and spacings. Results from the present study indicate that material failure is a competition between different interrelated effects, such as stress triaxiality, accumulated plastic shear strain, temperature, dislocation density concentration, and grain and GB crystallographic orientations. For all void arrangements, as the void size is increased, specimen necking is diffuse and failure is concentrated in the ligament regions. Furthermore, there are more dislocation-density activity sites for potential transmission and pile-ups at the GBs. Failure is concentrated along the void peripheries and within intervoid ligaments. It has been shown that the evolution of the mobile dislocation density saturation curves, and their saturation rate are directly related to the aggregate response. Nucleation and growth for all void distributions have occurred in regions of maximum dislocation density and along preferred crystallographic orientations. Spatial distributions of porosity, accumulated plastic strains, and pressure have been obtained to further elucidate how these parameters evolve and affect void to void interaction in critical ligament and localized regions as a function of intervoid spacing and nominal strains. These failure predictions can be also used to identify intergranular and transgranular failure propagation. The present study underscores the importance of using dislocation-density based multiple-slip crystalline constitutive formulations and GB interfacial mechanisms that are consistent with experimental observations and results to accurately characterize the microstructural evolution of deformation and failure modes on a length scale that is commensurate with the material competition between the inherent strengthening and softening mechanisms of crystalline systems.

A generalized genetic framework for the development of sinkholes and Karst in Florida, U.S.A.

NASA Astrophysics Data System (ADS)

Beck, Barry F.

1986-03-01

Karst topography in Florida is developed on the Tertiary limestones of the Floridan aquifer Post-depositional diagenesis and solution have made these limestones highly permeable, T=ca. 50,000 m2/d. Zones of megaporosity have formed at unconformities, and dissolution has enlarged joints and fractures Erosion of the overlying clastic Miocene Hawthorn group strata on one flank of a structural arch has exposed the limestone The elevated edge of the Hawthorn cover forms the Cody scarp Ubiquitous solution pipes have previously formed at joint intersections and are now filled Downwashing of the fill deeper into solution cavities in the limestone and subsidence of the overlying unconsolidated sediments causes surface collapse a subsidence doline or sinkhole This process may penetrate up to 60 m of the semi-consolidated Hawthorn cover, as occurred when the Winter Park sinkhole developed Dense clusters of solution pipes may have formed cenotes which are now found on the exposed limestone terrain Groundwater moves laterally as diffuse flow except where input or outflow is concentrated. At sinking streams, vertical shafts, and springs, karst caves have formed, but only the major sinking streams form through-flowing conduit systems Shaft recharge dissipates diffusely. Spring discharge is concentrated from diffuse flow In both cases, conduits taper and merge into a zone of megaporosity

Upper Mantle Anisotropy Under Fast Spreading Mid-ocean Ridges: 2-D Whole Mantle Convection Model With Subduction

NASA Astrophysics Data System (ADS)

Lee, C.; Zhou, Y.; King, S. D.

2008-12-01

Analyses of seismic anisotropy caused by spatial alignments of anisotropic minerals (e.g., olivine) have been widely used to infer mantle flow directions in the upper mantle. Deep seismic anisotropy beneath fast spreading mid-ocean ridges (e.g., East Pacific Rise) has been recently observed at depths of 200-300 km and even down to the transition zone, with polarization changes in radial anisotropy from VSH < VSV (shallow) to VSH < VSV (deep). We investigate the origin of the observed deep seismic anisotropy and polarization changes beneath the EPR in 2-D Cartesian numerical models using both kinematically (prescribed velocity) and dynamically (negative buoyancy) driven ridge spreading. Because subduction is thought to be an important controlling factor in the style of ridge spreading and mantle convection, we consider a subduction zone developing at the prescribed weak zone. A whole mantle domain expressed by a one by four box (2890 by 11560 km) is used to minimize the boundary effects on the subducting slab. For the upper mantle rheology, we consider composite viscosity of diffusion and dislocation creep for dry olivine to evaluate the effects of lateral variation of mantle viscosity and the rheological changes from dislocation to diffusion creep under the mid-ocean ridge. For the lower mantle rheology, we use diffusion creep for dry olivine by increasing grain size to match relevant lower mantle viscosity. We also consider the 660 km phase transition with density and viscosity jump as well as Clapeyron slope. Anisotropy is evaluated using finite-strain ellipses based on the assumption that a-axes of olivine crystals are parallel to the major axes of the finite-strain ellipses. Our preliminary results show 1) in general, the development of VSH < VSV anisotropy is confined only in a narrow region under the ridge axis at depths of 200- 300 km; 2) strong VSH > VSV anisotropy can be found in the 'asthenosphere' beneath the entire spreading oceanic lithosphere; and 3) the dominate creep mechanism changes from dislocation creep to diffusion creep at depths of 300-400 km; indicating a more isotropic lower upper mantle. We conclude that our geodynamical modeling in a passive ridge spreading system does not produce the deep seismic anisotropy recently observed beneath the EPR. However, we do not consider partial melting, dynamic recrystallization and anisotropic viscosity which would change seismic interpretation and mantle flow, and thus further study is required.

High power densities from high-temperature material interactions. [in thermionic energy conversion and metallic fluid heat pipes

NASA Technical Reports Server (NTRS)

Morris, J. F.

1981-01-01

Thermionic energy conversion (TEC) and metallic-fluid heat pipes (MFHPs), offering unique advantages in terrestrial and space energy processing by virtue of operating on working-fluid vaporization/condensation cycles that accept great thermal power densities at high temperatures, share complex materials problems. Simplified equations are presented that verify and solve such problems, suggesting the possibility of cost-effective applications in the near term for TEC and MFHP devices. Among the problems discussed are: the limitation of alkali-metal corrosion, protection against hot external gases, external and internal vaporization, interfacial reactions and diffusion, expansion coefficient matching, and creep deformation.

The structure of turbulence in fully developed pipe flow

NASA Technical Reports Server (NTRS)

Laufer, John

1954-01-01

Measurements, principally with a hot-wire anemometer, were made in fully developed turbulent flow in a 10-inch pipe at speeds of approximately 10 and 100 feet per second. Emphasis was placed on turbulence and conditions near the wall. The results include relevant mean and statistical quantities, such as Reynolds stresses, triple correlations, turbulent dissipation, and energy spectra. It is shown that rates of turbulent-energy production, dissipation, and diffusion have sharp maximums near the edge of the laminar sublayer and that there exist a strong movement of kinetic energy away from this point and an equally strong movement of pressure energy toward it.

X-ray diffuse scattering study of the kinetics of stacking fault growth and annihilation in boron-implanted silicon

NASA Astrophysics Data System (ADS)

Luebbert, D.; Arthur, J.; Sztucki, M.; Metzger, T. H.; Griffin, P. B.; Patel, J. R.

2002-10-01

Stacking faults in boron-implanted silicon give rise to streaks or rods of scattered x-ray intensity normal to the stacking fault plane. We have used the diffuse scattering rods to follow the growth of faults as a function of time when boron-implanted silicon is annealed in the range of 925 to 1025 degC. From the growth kinetics we obtain an activation energy for interstitial migration in silicon: EI=1.98plus-or-minus0.06 eV. Fault intensity and size versus time results indicate that faults do not shrink and disappear, but rather are annihilated by a dislocation reaction mechanism.

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.

Elevated Temperature Creep Deformation in Solid Solution <001> NiAL-3.6Ti Single Crystals

NASA Technical Reports Server (NTRS)

Whittenberger, J. Daniel; Noebe, Ronald D.; Darolia, Ram

2003-01-01

The 1100 to 1500 K slow plastic strain rate compressive properties of <001> oriented NiAl-3.6Ti single crystals have been measured, and the results suggests that two deformation processes exist. While the intermediate temperature/faster strain rate mechanism is uncertain, plastic flow at elevated temperature/slower strain rates in NiAl-3.6Ti appears to be controlled by solute drag as described by the Cottrell-Jaswon solute drag model for gliding b = a(sub 0)<101> dislocations. While the calculated activation energy of deformation is much higher (approximately 480 kJ/mol) than the activation energy for diffusion (approximately 290 kJ/mol) used in the Cottrell-Jaswon creep model, a forced temperature compensated - power law fit using the activation energy for diffusion was able to adequately (greater than 90%) predict the observed creep properties. Thus we conclude that the rejection of a diffusion controlled mechanism can not be simply based on a large numerical difference between the activation energies for deformation and diffusion.

Symmetric Tilt Grain Boundaries of Synthetic Forsterite Bicrystals

NASA Astrophysics Data System (ADS)

Heinemann, S.; Wirth, R.; Dresen, G.

2002-12-01

{ indent1.5em skip0ex Structure and transport properties of grain boundaries in rocks are still poorly understood. For example, grain boundary diffusivity and mobility depend on orientation, and they are different for low and high angle grain boundaries. The transition from low to high angle grain boundaries in rock-forming minerals is not studied in detail, but a high angle grain boundary is commonly defined by a lattice misorientation of >10°-15°. To investigate the physical properties of olivine grain boundaries we produced a series of synthetic forsterite bicrystals with symmetric tilt grain boundaries by direct bonding [1,2]. For each bicrystal two oriented synthetic forsterite single crystals were joined at room temperature and annealed at 400°C for one week. All bicrystals were cut in two parts and one part was annealed further at 1650°C for 48h. The tilt axis of the boundary in the synthesized bicrystals is parallel to the a direction, and the tilt angles of the series range from 9° to 21°. Specimens were prepared for investigations in the transmission electron microscope (TEM) using focused ion beam (FIB) technique. High-resolution TEM investigations of symmetric tilt grain boundaries reveal dislocation arrays between undisturbed crystal regions in samples annealed at 400°C and 1650°C. This suggests that bonding of bicrystals occurred already below or at 400°C. The burgers vectors of the dislocations are parallel to c. Dislocation cores do not overlap up to a tilt angle of 21°. This indicates that for forsterite small angle grain boundaries exist up to tilt angles of 21°. The dislocation model of small angle grain boundaries can be applied and the observed dislocation spacings d are related to tilt angle θ and burgers vector length b by Franks formula [3]: d = b/(2sin(2/θ )) ~ b/θ . With tilt angles increasing from 9° to 21° the dislocation spacing decreased. Using Frank's equation and the observation that dislocations do not overlap at a misorientation of 21° allows to estimate the maximum radius of the dislocation cores, r0<1.4b.} {skip0ex \\small [1] Heinemann S et al. (2001) Phys Chem Minerals 28, 685 [2] Heinemann S et al. (2002) Beih Eur Mineral 14(1), 66 [3] Frank FC (1951) Pittsburgh Symposium on the Plastic Deformation of Solids. 150}

The microstructure and tensile properties of extruded melt-spun ribbons of iron-rich B2 FeAl

NASA Technical Reports Server (NTRS)

Baker, I.; Gaydosh, D. J.

1987-01-01

The microstructure of extruded rods of iron-rich FeAl(B2-structure), as characterized by TEM, SEM, optical microscopy and x-ray diffractometry, consisted of elongated grains with a 111-line fibre texture containing a high dislocation density. Numerous oxide particles were found, mostly in lines which reflected the matrix flow during extrusion. In addition, some large inclusions were present. Tensile testing of annealed, relatively dislocation-free specimens as a function of increasing temperature found increasing ductility up to 900K, above which a ductility drop occurred accompanied by a change in fracture mode, from transgranular cleavage to intergranular fracture. The yield strength, which was independent of temperature up to 800K (at about 500MPa), also decreased rapidly as diffusion became more important. The predominant slip vector changed from 111-line to 100-line around 700K.

In situ atomic scale mechanical microscopy discovering the atomistic mechanisms of plasticity in nano-single crystals and grain rotation in polycrystalline metals.

PubMed

Han, Xiaodong; Wang, Lihua; Yue, Yonghai; Zhang, Ze

2015-04-01

In this review, we briefly introduce our in situ atomic-scale mechanical experimental technique (ASMET) for transmission electron microscopy (TEM), which can observe the atomic-scale deformation dynamics of materials. This in situ mechanical testing technique allows the deformation of TEM samples through a simultaneous double-tilt function, making atomic-scale mechanical microscopy feasible. This methodology is generally applicable to thin films, nanowires (NWs), tubes and regular TEM samples to allow investigation of the dynamics of mechanically stressed samples at the atomic scale. We show several examples of this technique applied to Pt and Cu single/polycrystalline specimens. The in situ atomic-scale observation revealed that when the feature size of these materials approaches the nano-scale, they often exhibit "unusual" deformation behaviours compared to their bulk counterparts. For example, in Cu single-crystalline NWs, the elastic-plastic transition is size-dependent. An ultra-large elastic strain of 7.2%, which approaches the theoretical elasticity limit, can be achieved as the diameter of the NWs decreases to ∼6 nm. The crossover plasticity transition from full dislocations to partial dislocations and twins was also discovered as the diameter of the single-crystalline Cu NWs decreased. For Pt nanocrystals (NC), the long-standing uncertainties of atomic-scale plastic deformation mechanisms in NC materials (grain size G less than 15 nm) were clarified. For larger grains with G<∼10 nm, we frequently observed movements and interactions of cross-grain full dislocations. For G between 6 and 10 nm, stacking faults resulting from partial dislocations become more frequent. For G<∼6 nm, the plasticity mechanism transforms from a mode of cross-grain dislocation to a collective grain rotation mechanism. This grain rotation process is mediated by grain boundary (GB) dislocations with the assistance of GB diffusion and shuffling. These in situ atomic-scale images provide a direct demonstration that grain rotation, through the evolution of the misorientation angle between neighbouring grains, can be quantitatively assessed by the dislocation content within the grain boundaries. In combination with the revolutionary Cs-corrected sub-angstrom imaging technologies developed by Urban et al., the opportunities for experimental mechanics at the atomic scale are emerging. Copyright © 2014 The Authors. Published by Elsevier B.V. All rights reserved.

Strain localization in ultramylonitic calcite marbles by dislocation creep-accommodated grain boundary sliding

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard; Clancy White, Joseph

2015-04-01

Strain localization in monomineralic rocks is often associated with brittle precursors, resulting in stress and strain concentration, followed by grain size reduction and activation of grain-size-sensitive deformation mechanisms such as diffusion creep, grain boundary sliding and cataclastic flow. The aforementioned mechanisms typically tend to produce a random crystallographic orientation or a decrease in intensity of a pre-existing texture. However, reports of fine grained polycrystalline materials showing a preferred crystallographic orientation indicate a need for subsequent grain re-organization by either static annealing or the activation of additional deformation mechanisms in conjunction with grain boundary sliding. We present observations from an almost pure calcite marble layer from Syros Island (Cyclades, Greece) deformed in lower greenschist facies conditions. The presence of a crack (i.e. cross-cutting element) that rotated during shear resulted in the formation of a flanking structure. At the location of maximum displacement (120 cm) along the cross-cutting element, the marble is extremely fine grained (3 µm) leading to anticipation of deformation by grain-size-sensitive mechanisms. Detailed microstructural analysis of the highly strained (80 < gamma < 1000) calcite ultramylonite by optical microscopy, electron backscatter diffraction and scanning transmission electron microscopy show that recrystallization by bulging results in small, strain-free grains. The change in grain size appears to be concomitant with increased activity of independent grain boundary sliding as indicated by a random misorientation angle distribution. At the same time, dislocation multiplication through Frank-Read sources produces high mean dislocation density (~ 5x10^13 m^-2) as well as a weak primary CPO; the latter all argue that grain boundary sliding was accommodated by dislocation activity. Theoretical and experimental determined relationships (paleowattmeter, paleopiezometer, dislocation density) have been used to estimate the flow stress conditions. All of the applied relationships indicate differential stresses in a range between 80 and 200 MPa. Plotted in a deformation mechanism map for calcite, the data show that the ultramylonite was deformed at maximum strain rates of 10^-9 s^-1. Our study shows that the switch from dominantly dislocation creep to grain boundary sliding accommodated by dislocation activity corresponds to strain softening and can be an important strain localization process in calcite rocks, even at high strain rate (10^-9 s^-1) and low temperature (300 °C).

Stress evolution and associated microstructure during transient creep of olivine at 1000-1200 °C

NASA Astrophysics Data System (ADS)

Thieme, M.; Demouchy, S.; Mainprice, D.; Barou, F.; Cordier, P.

2018-05-01

We study the mechanical response and correlated microstructure of axial deformed fine-grained olivine aggregates as a function of incremental finite strains. Deformation experiments were conducted in uniaxial compression in an internally heated gas-medium deformation apparatus at temperatures of 1000 and 1200 °C, at strain rates of 10-6 s-1 to 10-5 s-1 and at confining pressure of 300 MPa. Sample volumes are around 1.2 cm3. Finite strains range from 0.1 to 8.6% and corresponding maximal (final) differential stresses range from 80 to 1073 MPa for deformation at 1000 °C and from 71 to 322 MPa for deformation at 1200 °C. At 1200 °C, samples approach steady state deformation after about 8% of strain. At 1000 °C, significant strain hardening leads to stresses exceeding the confining pressure by a factor of 3.5 with brittle deformation after 3% of strain. Deformed samples were characterized by electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). EBSD maps with step sizes as low as 50 nm were acquired without introducing analytical artifacts for the first time. The grain size of deformed samples ranges from 2.1 to 2.6 μm. Despite clear strain hardening, texture or microstructure do not change as a function of stress or finite strain. This observation is supported by a constant texture strength (J-index) and symmetry (BA-index), constant grain shape and aspect ratio, constant density of geometrically necessary dislocations, grain orientation spread, and constant subgrain boundary spacing and misorientation in between samples. TEM shows that all samples exhibit unambiguous dislocation activity but with a highly heterogeneous dislocation distribution. Olivine grains display evidence of [1 0 0] and [0 0 1] slip activity, but there is no evidence of interaction between the dislocations from the different slip systems. Several observations of grain boundaries acting as dislocation sources have been found. We find no confirmation of increasing dislocation densities as the cause for strain hardening during transient creep. This suggests other, yet not fully understood mechanisms affecting the strength of deformed olivine. These mechanisms could possibly involve grain boundaries. Such mechanisms are relevant for the deformation of uppermost mantle rocks, where the Si diffusion rate is too slow and dislocation glide must be accommodated in another way to fulfill the von Mises criterion.

FORMATION MECHANISM FOR THE NANOSCALE AMORPHOUS INTERFACE IN PULSE-WELDED AL/FE BIMETALLIC SYSTEM

DOE PAGES

Li, Jingjing; Yu, Qian; Zhang, Zijiao; ...

2016-05-20

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed inmore » the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the resulted recrystallization occurred on the aluminum side of the interface.« less

FORMATION MECHANISM FOR THE NANOSCALE AMORPHOUS INTERFACE IN PULSE-WELDED AL/FE BIMETALLIC SYSTEM

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

Li, Jingjing; Yu, Qian; Zhang, Zijiao

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed inmore » the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the resulted recrystallization occurred on the aluminum side of the interface.« less

Formation mechanism for the nanoscale amorphous interface in pulse-welded Al/Fe bimetallic systems

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

Li, Jingjing; Yu, Qian; Zhang, Zijiao

Pulse or impact welding traditionally has been referred to as “solid-state” welding. By integrating advanced interface characterizations and diffusion calculations, we report that the nanoscale amorphous interface in the pulse-welded Al/Fe bimetallic system is formed by rapid heating and melting of a thin Al layer at the interface, diffusion of iron atoms in the liquid aluminum, and subsequent rapid quenching with diffused iron atoms in solution. This finding challenges the commonly held belief regarding the solid-state nature of the impact-based welding process for dissimilar metals. Elongated ultra-fine grains with high dislocation density and ultra-fine equiaxed grains also are observed inmore » the weld interface vicinity on the steel and aluminum sides, respectively, which further confirms that melting and the subsequent recrystallization occurred on the aluminum side of the interface.« less

Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations

NASA Astrophysics Data System (ADS)

Dontsova, E.; Rottler, J.; Sinclair, C. W.

2014-11-01

Resolving atomic-scale defect topologies and energetics with accurate atomistic interaction models provides access to the nonlinear phenomena inherent at atomic length and time scales. Coarse graining the dynamics of such simulations to look at the migration of, e.g., solute atoms, while retaining the rich atomic-scale detail required to properly describe defects, is a particular challenge. In this paper, we present an adaptation of the recently developed "diffusive molecular dynamics" model to describe the energetics and kinetics of binary alloys on diffusive time scales. The potential of the technique is illustrated by applying it to the classic problems of solute segregation to a planar boundary (stacking fault) and edge dislocation in the Al-Mg system. Our approach provides fully dynamical solutions in situations with an evolving energy landscape in a computationally efficient way, where atomistic kinetic Monte Carlo simulations are difficult or impractical to perform.

Effect of post-irradiation annealing on the irradiated microstructure of neutron-irradiated 304L stainless steel

NASA Astrophysics Data System (ADS)

Jiao, Z.; Hesterberg, J.; Was, G. S.

2018-03-01

Post-irradiation annealing was performed on a 304L SS that was irradiated to 5.9 dpa in the Barsebäck 1 BWR reactor. Evolution of dislocation loops, radiation-induced solute clusters and radiation-induced segregation at the grain boundary was investigated following thermal annealing at 500 °C and 550 °C up to 20 h. Dislocation loops, Ni-Si and Al-Cu clusters, and enrichment of Ni, Si and depletion of Cr at the grain boundary were observed in the as-irradiated condition. Dislocation loop size did not change significantly after annealing at 550 °C for 5 h but the loop number density decreased considerably and loops mostly disappeared after annealing at 550 °C for 20 h. The average size of Ni-Si and Al-Cu clusters increased while the number density decreased with annealing. The increase in cluster size was due to diffusion of solutes rather than cluster coarsening. Significant volume fractions of Ni-Si and Al-Cu clusters still remained after annealing at 550 °C for 20 h. Substantial recovery of Cr and Ni at the grain boundary was observed after annealing at 550 °C for 5 h but neither Cr nor Ni was fully recovered after 20 h. Annihilation of dislocation loops, driven by the thermal vacancy concentration gradient caused by the strain field and stacking fault associated with the loops appeared to be faster than annihilation of solute clusters and recovery of Ni and Si at the grain boundary, both of which are driven by the solute concentration gradients.

Computational Design and Prototype Evaluation of Aluminide-Strengthened Ferritic Superalloys for Power-Generating Turbine Applications up to 1,033 K

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

Peter Liaw; Gautam Ghosh; Mark Asta

2010-04-30

The objective of the proposed research is to utilize modern computational tools, integrated with focused experiments, to design innovative ferritic NiAl-strengthened superalloys for fossil-energy applications at temperatures up to 1,033 K. Specifically, the computational alloy design aims toward (1) a steady-state creep rate of approximately 3 x 10{sup -11} s{sup -1} at a temperature of 1,033 K and a stress level of 35 MPa, (2) a ductility of 10% at room temperature, and (3) good oxidation and corrosion resistance at 1,033 K. The research yielded many outstanding research results, including (1) impurity-diffusion coefficients in {alpha} Fe have been calculated bymore » first principles for a variety of solute species; (2) the precipitates were characterized by the transmission-electron microscopy (TEM) and analytical-electron microscopy (AEM), and the elemental partitioning has been determined; (3) a bending ductility of more than 5% has been achieved in the unrolled materials; and (4) optimal compositions with minimal secondary creep rates at 973 K have been determined. Impurity diffusivities in {alpha} Fe have been calculated within the formalisms of a harmonic transition-state theory and Le Claire nine-frequency model for vacancy-mediated diffusion. Calculated diffusion coefficients for Mo and W impurities are comparable to or larger than that for Fe self-diffusion. Calculated activation energies for Ta and Hf impurities suggest that these solutes should display impurity-diffusion coefficients larger than that for self-diffusion in the body-centered cubic Fe. Preliminary mechanical-property studies identified the alloy Fe-6.5Al-10Ni-10Cr-3.4Mo-0.25Zr-0.005B (FBB-8) in weight percent (wt.%) for detailed investigations. This alloy shows precipitation of NiAl particles with an average diameter of 130 nm. In conjunction with the computational alloy design, selected experiments are performed to investigate the effect of the Al content on the ductility and creep of prototype Fe-Ni-Cr-Al-Mo alloys. Three-point-bending experiments show that alloys containing more than 5 wt.% Al exhibit poor ductility (< 2%) at room temperature, and their fracture mode is predominantly of a cleavage type. Two major factors governing the poor ductility are (1) the volume fraction of NiAl-type precipitates, and (2) the Al content in the {alpha}-Fe matrix. A bend ductility of more than 5% can be achieved by lowering the Al concentration to 3 wt.% in the alloy. The alloy containing about 6.5 wt.% Al is found to have an optimal combination of hardness, ductility, and minimal creep rate at 973 K. A high volume fraction of precipitates is responsible for the good creep resistance by effectively resisting the dislocation motion through Orowan-bowing and dislocation-climb mechanisms. The effects of stress on the creep rate have been studied. With the threshold-stress compensation, the stress exponent is determined to be 4, indicating power-law dislocation creep. The threshold stress is in the range of 40-53 MPa. The addition of W can significantly reduce the secondary creep rates. Compared to other candidates for steam-turbine applications, FBB-8 does not show superior creep resistance at high stresses (> 100 MPa), but exhibit superior creep resistance at low stresses (< 60 MPa).« less

A Study on the Characteristics of Design Variables for IRSS Diffuser

NASA Astrophysics Data System (ADS)

Cho, Yong-Jin; Ko, Dae-Eun

2017-11-01

In modern naval ships, infrared signature suppression systems (IRSS) are installed to decrease the temperature of waste gas generated in propulsion engine and the metallic surface temperature of heated exhaust pipes. Generally, IRSS is composed of eductor, mixing tube, and diffuser. Diffuser serves to reduce the temperature by creating an air film using the pressure difference between internal gas and external air. In this study, design variables were selected by analyzing the diffuser and the characteristics of design variables that affect the performance of diffuser were examined using Taguchi experiment method. For the diffuser performance analysis, a heat flow analysis technique established in previous research was used. The IRSS performance evaluation was carried out based on the average area value of the metal surface temperature and the temperature of the exhaust gas at the outlet of the diffuser, which are variables directly related to the intensity of infrared signature in naval ships. It was verified that the exhaust gas temperature is greatly affected by changes in the diameter of the diffuser outlet, and the metal surface temperature of diffuser is greatly affected by changes in the number of diffuser rings.

Role of drinking water biofilms on residual chlorine decay and trihalomethane formation: An experimental and modeling study.

PubMed

Xu, Jianeng; Huang, Conghui; Shi, Xiaoyang; Dong, Shengkun; Yuan, Baoling; Nguyen, Thanh H

2018-06-13

PVC pipe loops were constructed to simulate household premise plumbing. These pipe loops were exposed to water treated by physical processes at three water treatment plants in Xiamen, China from August 2016 to June 2017. After the biofilms were allowed to develop inside the pipes, these pipes were deconstructed and exposed to organic-free chlorine solution buffered at pH 6.8 ± 0.2 for 48 h. The decay of chlorine by these biofilms was higher than by the effluent waters that were used to grow the biofilms. A chlorine consumption mass balance model elucidated the role of both the diffusion of chlorine into the biofilm and the reaction of chlorine with the biofilm matrix. Comparable concentrations of trihalomethanes were quantified from the reaction between chlorine and source water organic matters, and chlorine and the biofilm, further emphasizing the role of biofilms in the safety of disinfected drinking water. These findings imply that when chlorine is used in the drinking water distribution system, the ubiquitous presence of biofilms may cause the depletion of chlorine and the formation of non-negligible levels of toxic disinfection byproducts. Copyright © 2018 Elsevier B.V. All rights reserved.

High power densities from high-temperature materials interactions. [thermionic energy conversion and metallic fluid heat pipes

NASA Technical Reports Server (NTRS)

Morris, J. F.

1981-01-01

Thermionic energy converters and metallic-fluid heat pipes are well suited to serve together synergistically. The two operating cycles appear as simple and isolated as their material problems seem forebodingly deceptive and complicated. Simplified equations verify material properties and interactions as primary influences on the operational effectiveness of both. Each experiences flow limitations in thermal emission and vaporization because of temperature restrictions redounding from thermophysicochemical stability considerations. Topics discussed include: (1) successful limitation of alkali-metal corrosion; (2) protection against external hot corrosive gases; (3) coping with external and internal vaporization; (4) controlling interfacial reactions and diffusion; and (5) meeting other thermophysical challenges; expansion matches and creep.

Competing Grain Boundary and Interior Deformation Mechanisms with Varying Sizes

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

Zhang, Wei; Gao, Yanfei; Nieh, T. G.

In typical coarse-grained alloys, the dominant plastic deformations are dislocation gliding or climbing, and material strengths can be tuned by dislocation interactions with grain boundaries, precipitates, solid solutions, and other defects. With the reduction of grain size, the increase of material strengths follows the classic Hall-Petch relationship up to nano-grained materials. Even at room temperatures, nano-grained materials exhibit strength softening, or called the inverse Hall-Petch effect, as grain boundary processes take over as the dominant deformation mechanisms. On the other hand, at elevated temperatures, grain boundary processes compete with grain interior deformation mechanisms over a wide range of the appliedmore » stress and grain sizes. This book chapter reviews and compares the rate equation model and the microstructure-based finite element simulations. The latter explicitly accounts for the grain boundary sliding, grain boundary diffusion and migration, as well as the grain interior dislocation creep. Therefore the explicit finite element method has clear advantages in problems where microstructural heterogeneities play a critical role, such as in the gradient microstructure in shot peening or weldment. Furthermore, combined with the Hall-Petch effect and its breakdown, the above competing processes help construct deformation mechanism maps by extending from the classic Frost-Ashby type to the ones with the dependence of grain size.« less

Dislocation-free Ge Nano-crystals via Pattern Independent Selective Ge Heteroepitaxy on Si Nano-Tip Wafers.

PubMed

Niu, Gang; Capellini, Giovanni; Schubert, Markus Andreas; Niermann, Tore; Zaumseil, Peter; Katzer, Jens; Krause, Hans-Michael; Skibitzki, Oliver; Lehmann, Michael; Xie, Ya-Hong; von Känel, Hans; Schroeder, Thomas

2016-03-04

The integration of dislocation-free Ge nano-islands was realized via selective molecular beam epitaxy on Si nano-tip patterned substrates. The Si-tip wafers feature a rectangular array of nanometer sized Si tips with (001) facet exposed among a SiO2 matrix. These wafers were fabricated by complementary metal-oxide-semiconductor (CMOS) compatible nanotechnology. Calculations based on nucleation theory predict that the selective growth occurs close to thermodynamic equilibrium, where condensation of Ge adatoms on SiO2 is disfavored due to the extremely short re-evaporation time and diffusion length. The growth selectivity is ensured by the desorption-limited growth regime leading to the observed pattern independence, i.e. the absence of loading effect commonly encountered in chemical vapor deposition. The growth condition of high temperature and low deposition rate is responsible for the observed high crystalline quality of the Ge islands which is also associated with negligible Si-Ge intermixing owing to geometric hindrance by the Si nano-tip approach. Single island as well as area-averaged characterization methods demonstrate that Ge islands are dislocation-free and heteroepitaxial strain is fully relaxed. Such well-ordered high quality Ge islands present a step towards the achievement of materials suitable for optical applications.

Dislocation-free Ge Nano-crystals via Pattern Independent Selective Ge Heteroepitaxy on Si Nano-Tip Wafers

PubMed Central

Niu, Gang; Capellini, Giovanni; Schubert, Markus Andreas; Niermann, Tore; Zaumseil, Peter; Katzer, Jens; Krause, Hans-Michael; Skibitzki, Oliver; Lehmann, Michael; Xie, Ya-Hong; von Känel, Hans; Schroeder, Thomas

2016-01-01

The integration of dislocation-free Ge nano-islands was realized via selective molecular beam epitaxy on Si nano-tip patterned substrates. The Si-tip wafers feature a rectangular array of nanometer sized Si tips with (001) facet exposed among a SiO2 matrix. These wafers were fabricated by complementary metal-oxide-semiconductor (CMOS) compatible nanotechnology. Calculations based on nucleation theory predict that the selective growth occurs close to thermodynamic equilibrium, where condensation of Ge adatoms on SiO2 is disfavored due to the extremely short re-evaporation time and diffusion length. The growth selectivity is ensured by the desorption-limited growth regime leading to the observed pattern independence, i.e. the absence of loading effect commonly encountered in chemical vapor deposition. The growth condition of high temperature and low deposition rate is responsible for the observed high crystalline quality of the Ge islands which is also associated with negligible Si-Ge intermixing owing to geometric hindrance by the Si nano-tip approach. Single island as well as area-averaged characterization methods demonstrate that Ge islands are dislocation-free and heteroepitaxial strain is fully relaxed. Such well-ordered high quality Ge islands present a step towards the achievement of materials suitable for optical applications. PMID:26940260

Creep and fracture of dispersion-strengthened materials

NASA Technical Reports Server (NTRS)

Raj, Sai V.

1991-01-01

The creep and fracture of dispersion strengthened materials is reviewed. A compilation of creep data on several alloys showed that the reported values of the stress exponent for creep varied between 3.5 and 100. The activation energy for creep exceeded that for lattice self diffusion in the matrix in the case of some materials and a threshold stress behavior was generally reported in these instances. The threshold stress is shown to be dependent on the interparticle spacing and it is significantly affected by the initial microstructure. The effect of particle size and the nature of the dispersoid on the threshold stress is not well understood at the present time. In general, most studies indicate that the microstructure after creep is similar to that before testing and very few dislocations are usually observed. It is shown that the stress acting on a dispersoid due to a rapidly moving dislocation can exceed the particle yield strength of the G sub p/1000, where G sub p is the shear modulus of the dispersoid. The case when the particle deforms is examined and it is suggested that the dislocation creep threshold stress of the alloy is equal to the yield strength of the dispersoid under these conditions. These results indicate that the possibility that the dispersoid creep threshold stress is determined by either the particle yield strength or the stress required to detach a dislocation from the dispersoid matrix interface. The conditions under which the threshold stress is influenced by one or the other mechanism are discussed and it is shown that the particle yield strength is important until the extent of dislocation core relaxation at the dispersoid matrix interface exceeds about 25 pct. depending on the nature of the particle matrix combination. Finally, the effect of grain boundaries and grain morphology on the creep and fracture behavior of dispersoid strengthened alloys is examined.

On the tungsten single crystal coatings achieved by chemical vapor transportation deposition

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

Shi, J.Q.; Shen, Y.B.; Yao, S.Y.

2016-12-15

The tungsten single crystal has many excellent properties, namely a high melting point, high anti-creeping strength. Chemical vapor transportation deposition (CVTD) is a possible approach to achieve large-sized W single crystals for high-temperature application such as the cathode of a thermionic energy converter. In this work, CVTD W coatings were deposited on the monocrystalline molybdenum substrate (a tube with < 111 > axial crystalline orientation) using WCl{sub 6} as a transport medium. The microstructures of the coatings were investigated by a scanning electron microscope (SEM) and electron backscatter diffraction (EBSD). The as-deposited coatings are hexagonal prisms—rough surfaces perpendicular to with alternating hill-like bulges and pits at the side edges of the prisms, and flat surfaces perpendicular to < 112 > with arc-shaped terraces at the side faces. This can be explained by two-dimensional nucleation -mediated lateral growth model. Some parts of the coatings contain hillocks of an exotic morphology (noted as “abnormal growth”). The authors hypothesize that the abnormal growth is likely caused by the defects of the Mo substrate, which facilitate W nucleation sites, cause orientation difference, and may even form boundaries in the coatings. A dislocation density of 10{sup 6} to 10{sup 7} (counts/cm{sup 2}) was revealed by an etch-pit method and synchrotron X-ray diffraction. As the depositing temperature rises, the dislocation density decreases, and no sub-boundaries are found on samples deposited over 1300 °C, as a result of atom diffusion and dislocation climbing. - Highlights: •The varied growth rate causes the different morphologies of different planes. •The W coating is a single crystal when only single hillocks appear. •The (110) plane tends to have the lowest dislocation density. •The dislocation density tends to decrease as the temperature increases.« less

Mechanism-based modeling of solute strengthening: Application to thermal creep in Zr alloy

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

Wen, Wei; Capolungo, Laurent; Tome, Carlos N.

In this paper, a crystallographic thermal creep model is proposed for Zr alloys that accounts for the hardening contribution of solutes via their time-dependent pinning effect on dislocations. The core-diffusion model proposed by Soare and Curtin (2008a) is coupled with a recently proposed constitutive modeling framework (Wang et al., 2017, 2016) accounting for the heterogeneous distribution of internal stresses within grains. The Coble creep mechanism is also included. This model is, in turn, embedded in the effective medium crystallographic VPSC framework and used to predict creep strain evolution of polycrystals under different temperature and stress conditions. The simulation results reproducemore » the experimental creep data for Zircaloy-4 and the transition between the low (n~1), intermediate (n~4) and high (n~9) power law creep regimes. This is achieved through the dependence on local aging time of the solute-dislocation binding energy. The anomalies in strain rate sensitivity (SRS) are discussed in terms of core-diffusion effects on dislocation junction strength. The mechanism-based model captures the primary and secondary creep regimes results reported by Kombaiah and Murty (2015a, 2015b) for a comprehensive set of testing conditions covering the 500–600 °C interval, stresses spanning 14–156 MPa, and steady state creep rates varying between 1.5·10 -9s -1 to 2·10 -3s -1. There are two major advantages to this model with respect to more empirical ones used as constitutive laws for describing thermal creep of cladding: 1) specific dependences on the nature of solutes and their concentrations are explicitly accounted for; 2) accident conditions in reactors, such as RIA and LOCA, usually take place in short times, and deformation takes place in the primary, not the steady-state creep stage. Finally, as a consequence, a model that accounts for the evolution with time of microstructure is more reliable for this kind of simulation.« less

Geodynamic Constraints on the Sources of Seismic Anisotropy Beneath Madagascar

NASA Astrophysics Data System (ADS)

Rajaonarison, T. A.; Stamps, D. S.; Fishwick, S.

2017-12-01

The rheological structure of the lithosphere-asthenosphere system controls the degree in which the mantle drives surface motions. Seismic anisotropy is a proxy to infer information about previous tectonic events imprinted in lithospheric structures and/or asthenospheric flow pattern in regions absent of active volcanism, however, distinguishing between the shallow and deeper sources, respectively, remains ambiguous. Madagascar is an ideal natural laboratory to study the sources of anisotropy and the rheological implications for lithosphere-asthenosphere system because 1) active volcanism is minimal or absent, 2) there are well-exposed tectonic fabrics for comparison, and 3) numerous geological and geophysical observations provides evidence of present-day tectonic activities. Recent studies suggest new seismic anisotropy observations in southern Madagascar are sourced from both fossilized lithospheric structure and asthenospheric flow driven by rigid lithospheric plate motion. In this work we compare geodynamic simulations of the lithosphere-asthenosphere system with seismic anisotropy data set that includes all of Madagascar. We use the numerical code Advanced Solver for Problems in Earth's ConvecTion (ASPECT) to calculate instantaneous deformation in the lithosphere and edge-driven convective flow in the asthenosphere accounting for variations in buoyancy forces and temperature dependent viscosity. The initial temperature conditions are based on interpretations from high resolution regional surface wave tomography. We assume visco-plastic rheology for a uniform crust, dislocation creep for a laterally varying mantle lithospheric structure, and diffusion creep for the asthenosphere. To test for the source of anisotropy we compare our velocity solution azimuths with azimuths of anisotropy at 25 km depth intervals. Calculated asthenospheric flow aligns with measured seismic anisotropy with a 15° WRMS at 175 km depth and possibly down to 250 km suggesting the majority of the seismic anisotropy are due to sub-lithospheric asthenospheric flow beneath Madagascar. Our results suggest the dislocation creep regime extends beneath the lithosphere, which implies the rheology of the upper asthenosphere deforms by dislocation creep rather than diffusion creep.

Mechanism-based modeling of solute strengthening: Application to thermal creep in Zr alloy

DOE PAGES

Wen, Wei; Capolungo, Laurent; Tome, Carlos N.

2018-03-11

In this paper, a crystallographic thermal creep model is proposed for Zr alloys that accounts for the hardening contribution of solutes via their time-dependent pinning effect on dislocations. The core-diffusion model proposed by Soare and Curtin (2008a) is coupled with a recently proposed constitutive modeling framework (Wang et al., 2017, 2016) accounting for the heterogeneous distribution of internal stresses within grains. The Coble creep mechanism is also included. This model is, in turn, embedded in the effective medium crystallographic VPSC framework and used to predict creep strain evolution of polycrystals under different temperature and stress conditions. The simulation results reproducemore » the experimental creep data for Zircaloy-4 and the transition between the low (n~1), intermediate (n~4) and high (n~9) power law creep regimes. This is achieved through the dependence on local aging time of the solute-dislocation binding energy. The anomalies in strain rate sensitivity (SRS) are discussed in terms of core-diffusion effects on dislocation junction strength. The mechanism-based model captures the primary and secondary creep regimes results reported by Kombaiah and Murty (2015a, 2015b) for a comprehensive set of testing conditions covering the 500–600 °C interval, stresses spanning 14–156 MPa, and steady state creep rates varying between 1.5·10 -9s -1 to 2·10 -3s -1. There are two major advantages to this model with respect to more empirical ones used as constitutive laws for describing thermal creep of cladding: 1) specific dependences on the nature of solutes and their concentrations are explicitly accounted for; 2) accident conditions in reactors, such as RIA and LOCA, usually take place in short times, and deformation takes place in the primary, not the steady-state creep stage. Finally, as a consequence, a model that accounts for the evolution with time of microstructure is more reliable for this kind of simulation.« less

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.

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Zaunbrecher, Katherine N.; Kuciauskas, Darius; Swartz, Craig H.; Dippo, Pat; Edirisooriya, Madhavie; Ogedengbe, Olanrewaju S.; Sohal, Sandeep; Hancock, Bobby L.; LeBlanc, Elizabeth G.; Jayathilaka, Pathiraja A. R. D.; Barnes, Teresa M.; Myers, Thomas H.

2016-08-01

Heterostructures with CdTe and CdTe1-xSex (x ˜ 0.01) absorbers between two wider-band-gap Cd1-xMgxTe barriers (x ˜ 0.25-0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ˜6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

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

Zaunbrecher, Katherine N.; Kuciauskas, Darius; Swartz, Craig H.

Heterostructures with CdTe and CdTe 1-xSex (x ~ 0.01) absorbers between two wider-band-gap Cd1-xMgxTe barriers (x ~ 0.25-0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects havemore » a zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ~6 um, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 us with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 us.« less

Impact of solid second phases on deformation mechanisms of naturally deformed salt rocks (Kuh-e-Namak, Dashti, Iran) and rheological stratification of the Hormuz Salt Formation

NASA Astrophysics Data System (ADS)

Závada, P.; Desbois, G.; Urai, J. L.; Schulmann, K.; Rahmati, M.; Lexa, O.; Wollenberg, U.

2015-05-01

Viscosity contrasts displayed in flow structures of a mountain namakier (Kuh-e-Namak - Dashti), between 'weak' second phase bearing rock salt and 'strong' pure rock salt types are studied for deformation mechanisms using detailed quantitative microstructural study. While the solid inclusions rich ("dirty") rock salts contain disaggregated siltstone and dolomite interlayers, "clean" salts reveal microscopic hematite and remnants of abundant fluid inclusions in non-recrystallized cores of porphyroclasts. Although the flow in both, the recrystallized "dirty" and "clean" salt types is accommodated by combined mechanisms of pressure-solution creep (PS), grain boundary sliding (GBS), transgranular microcracking and dislocation creep accommodated grain boundary migration (GBM), their viscosity contrasts observed in the field outcrops are explained by: 1) enhanced ductility of "dirty" salts due to increased diffusion rates along the solid inclusion-halite contacts than along halite-halite contacts, and 2) slow rates of intergranular diffusion due to dissolved iron and inhibited dislocation creep due to hematite inclusions for "clean" salt types Rheological contrasts inferred by microstructural analysis between both salt rock classes apply in general for the "dirty" salt forming Lower Hormuz and the "clean" salt forming the Upper Hormuz of the Hormuz Formation and imply strain rate gradients or decoupling along horizons of mobilized salt types of different composition and microstructure.

Low-temperature diffusion assisted by femtosecond laser-induced modifications at Ni/SiC interface

NASA Astrophysics Data System (ADS)

Okada, Tatsuya; Tomita, Takuro; Ueki, Tomoyuki; Hashimoto, Takuya; Kawakami, Hiroki; Fuchikami, Yuki; Hisazawa, Hiromu; Tanaka, Yasuhiro

2018-01-01

We investigated low-temperature diffusion at the Ni/SiC interface with the assistance of femtosecond laser-induced modifications. Cross sections of the laser-irradiated lines of two different pulse energies — 0.84 and 0.60 J/cm2 in laser fluence — were compared before and after annealing at 673 K. At the laser fluence of 0.60 J/cm2, a single flat Ni-based particle was formed at the interface after annealing. The SiC crystal under the particle was defect-free. The present results suggest the potential application of femtosecond laser-induced modifications to the low-temperature fabrication of contacts at the interface without introducing crystal defects, e.g., dislocations and stacking faults, in SiC.

TED of boron in the presence of EOR defects: the use of the theory of Ostwald ripening to calculate Si-interstitial supersaturation in the vicinity of extrinsic defects

NASA Astrophysics Data System (ADS)

Bonafos, C.; Alquier, D.; Martinez, A.; Mathiot, D.; Claverie, A.

1996-05-01

When end-of-range defects are located close to or within doping profiles they render diffusion "anomalous" by both enhancing the dopant diffusivity and trapping it, both phenomena decreasing with time. Upon annealing, these defects grow in size and their density is reduced through the emission and capture of Si-interstitial atoms by a coarsening process called Ostwald ripening. In this paper, we report on how, by coupling the Ostwald ripening theory with TEM observations of the time evolution of the dislocation loops upon annealing, quantitative information allowing the enhanced diffusivity to be understood can be extracted. Indeed, during the coarsening process, a supersaturation, {C}/{C e}, of Si self-interstitial atoms is maintained between the loops and decreases with time. The enhanced diffusivity is assumed to be linked to the evolution of this interstitial supersaturation during annealing through the interstitial component of boron diffusion. We show that C drastically decreases during the first second of the anneal to asymptotically reach a value just above the equilibrium concentration Ce. This rapid decay is precisely at the origin of the transient enhanced diffusivity of dopants in the vicinity of the loops.

Analysis of Structure Destroyed Metal after Diffusion Heat Treatment

NASA Astrophysics Data System (ADS)

Apasov, A. M.; Kozlov, E. V.; Fedoseev, S. N.

2016-08-01

It was accomplished research of the structure steel which carbonitriding and subsequent heat treatment was exposed for its cause's destruction to discover. For measure quality field of metal were used methods optical, appearing electronic microscopy and X-ray diffraction. Therefore one of the principal problems were research phase composition, grain and dislocation structure of a metal the gear teeth. Mechanism of rising hear cracks in the gear teeth on different stages her making and their trajectories of evolution were determined.

Dislocation mediated alignment during metal nanoparticle coalescence

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

Lange, A. P.; Samanta, A.; Majidi, H.

2016-09-13

Dislocation mediated alignment processes during gold nanoparticle coalescence were studied at low and high temperatures using molecular dynamics simulations and transmission electron microscopy. Particles underwent rigid body rotations immediately following attachment in both low temperature (500 K) simulated coalescence events and low temperature (~315 K) transmission electron microscopy beam heating experiments. In many low temperature simulations, some degree of misorientation between particles remained after rigid body rotations, which was accommodated by grain boundary dislocation nodes. These dislocations were either sessile and remained at the interface for the duration of the simulation or dissociated and cross-slipped through the adjacent particles, leadingmore » to improved co-alignment. Minimal rigid body rotations were observed during or immediately following attachment in high temperature (1100 K) simulations, which is attributed to enhanced diffusion at the particles' interface. However, rotation was eventually induced by {111} slip on planes parallel to the neck groove. These deformation modes led to the formation of single and multi-fold twins whose structures depended on the initial orientation of the particles. The driving force for {111} slip is attributed to high surface stresses near the intersection of low energy {111} facets in the neck region. The details of this twinning process were examined in detail using simulated trajectories, and the results reveal possible mechanisms for the nucleation and propagation of Shockley partials on consecutive planes. Deformation twinning was also observed in-situ using transmission electron microscopy, which resulted in the co-alignment of a set of the particles' {111} planes across their grain boundary and an increase in their dihedral angle. As a result, this constitutes the first detailed experimental observation of deformation twinning during nanoparticle coalescence, validating simulation results presented here and elsewhere.« less

Microstructure evolution of recrystallized Zircaloy-4 under charged particles irradiation

NASA Astrophysics Data System (ADS)

Gaumé, M.; Onimus, F.; Dupuy, L.; Tissot, O.; Bachelet, C.; Mompiou, F.

2017-11-01

Recrystallized zirconium alloys are used as nuclear fuel cladding tubes of Pressurized Water Reactors. During operation, these alloys are submitted to fast neutron irradiation which leads to their in-reactor deformation and to a change of their mechanical properties. These phenomena are directly related to the microstructure evolution under irradiation and especially to the formation of -type dislocation loops. In the present work, the radiation damage evolution in recrystallized Zircaloy-4 has been studied using charged particles irradiation. The loop nucleation and growth kinetics, and also the helical climb of linear dislocations, were observed in-situ using a High Voltage Electron Microscope (HVEM) under 1 MeV electron irradiation at 673 and 723 K. In addition, 600 keV Zr+ ion irradiations were conducted at the same temperature. Transmission Electron Microscopy (TEM) characterizations have been performed after both types of irradiations, and show dislocation loops with a Burgers vector belonging to planes close to { 10 1 bar 0 } first order prismatic planes. The nature of the loops has been characterized. Only interstitial dislocation loops have been observed after ion irradiation at 723 K. However, after electron irradiation conducted at 673 and 723 K, both interstitial and vacancy loops were observed, the proportion of interstitial loops increasing as the temperature is increased. The loop growth kinetics analysis shows that as the temperature increases, the loop number density decreases and the loop growth rate tends to increase. An increase of the flux leads to an increase of the loop number density and a decrease of the loop growth rate. The results are compared to previous works and discussed in the light of point defects diffusion.

On the calculation of turbulent heat transport downstream from an abrupt pipe expansion

NASA Technical Reports Server (NTRS)

Chieng, C. C.; Launder, B. E.

1980-01-01

A numerical study of flow and heat transfer in the separated flow region produced by an abrupt pipe explosion is reported, with emphasis on the region in the immediate vicinity of the wall where turbulent transport gives way to molecular conduction and diffusion. The analysis is based on a modified TEACH-2E program with the standard k-epsilon model of turbulence. Predictions of the experimental data of Zemanick and Dougall (1970) for a diameter ratio of 0.54 show generally encouraging agreement with experiment. At a diameter ratio of 0.43 different trends are discernable between measurement and calculation, though this appears to be due to effects unconnected with the wall region studied here.

The self-healing of defects induced by the hydriding phase transformation in palladium nanoparticles

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

Ulvestad, A.; Yau, A.

Nanosizing can dramatically alter material properties by enhancing surface thermodynamic contributions, shortening diffusion lengths, and increasing the number of catalytically active sites per unit volume. These mechanisms have been used to explain the improved properties of catalysts, battery materials, plasmonic materials, etc. Here we show that Pd nanoparticles also have the ability to self-heal defects in their crystal structures. Using Bragg coherent diffractive imaging, we image dislocations nucleated deep in a Pd nanoparticle during the forward hydriding phase transformation that heal during the reverse transformation, despite the region surrounding the dislocations remaining in the hydrogen-poor phase. We show that defectivemore » Pd nanoparticles exhibit sloped isotherms, indicating that defects act as additional barriers to the phase transformation. Our results resolve the formation and healing of structural defects during phase transformations at the single nanoparticle level and offer an additional perspective as to how and why nanoparticles differ from their bulk counterparts.« less

Impact of thermal treatment on the optical performance of InGaN/GaN light emitting diodes

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

Meneghini, Matteo, E-mail: matteo.meneghini@dei.unipd.it; Meneghesso, Gaudenzio; Zanoni, Enrico

2015-10-15

This paper describes a detailed analysis of the effects of high temperatures on the optical performance and structural characteristics of GaN-based LED structures with a high threading dislocation density. Results show that, as a consequence of storage at 900 °C in N{sub 2} atmosphere, the samples exhibit: (i) an increase in the efficiency of GaN and quantum-well luminescence, well correlated to an increase in carrier lifetime; (ii) a decrease in the parasitic luminescence peaks related to Mg acceptors, which is correlated to the reduction in the concentration of Mg in the p-type region, detected by Secondary Ion Mass Spectroscopy (SIMS);more » (iii) a diffusion of acceptor (Mg) atoms to the quantum well region; (iv) a reduction in the yield of Rutherford Backscattering Spectrometry (RBS)-channeling measurements, possibly due to a partial re-arrangement of the dislocations, which is supposed to be correlated to the increase in radiative efficiency (see (i))« less

Impact of thermal treatment on the optical performance of InGaN/GaN light emitting diodes

NASA Astrophysics Data System (ADS)

Meneghini, Matteo; Zhu, Dandan; Humphreys, Colin J.; Berti, Marina; Gasparotto, Andrea; Cesca, Tiziana; Vinattieri, Anna; Bogani, Franco; Meneghesso, Gaudenzio; Zanoni, Enrico

2015-10-01

This paper describes a detailed analysis of the effects of high temperatures on the optical performance and structural characteristics of GaN-based LED structures with a high threading dislocation density. Results show that, as a consequence of storage at 900 °C in N2 atmosphere, the samples exhibit: (i) an increase in the efficiency of GaN and quantum-well luminescence, well correlated to an increase in carrier lifetime; (ii) a decrease in the parasitic luminescence peaks related to Mg acceptors, which is correlated to the reduction in the concentration of Mg in the p-type region, detected by Secondary Ion Mass Spectroscopy (SIMS); (iii) a diffusion of acceptor (Mg) atoms to the quantum well region; (iv) a reduction in the yield of Rutherford Backscattering Spectrometry (RBS)-channeling measurements, possibly due to a partial re-arrangement of the dislocations, which is supposed to be correlated to the increase in radiative efficiency (see (i)).

Numerical study of heat and mass transfer in inertial suspensions in pipes.

NASA Astrophysics Data System (ADS)

Niazi Ardekani, Mehdi; Brandt, Luca

2017-11-01

Controlling heat and mass transfer in particulate suspensions has many important applications such as packed and fluidized bed reactors and industrial dryers. In this work, we study the heat and mass transfer within a suspension of spherical particles in a laminar pipe flow, using the immersed boundary method (IBM) to account for the solid fluid interactions and a volume of fluid (VoF) method to resolve temperature equation both inside and outside of the particles. Tracers that follow the fluid streamlines are considered to investigate mass transfer within the suspension. Different particle volume fractions 5, 15, 30 and 40% are simulated for different pipe to particle diameter ratios: 5, 10 and 15. The preliminary results quantify the heat and mass transfer enhancement with respect to a single-phase laminar pipe flow. We show in particular that the heat transfer from the wall saturates for volume fractions more than 30%, however at high particle Reynolds numbers (small diameter ratios) the heat transfer continues to increase. Regarding the dispersion of tracer particles we show that the diffusivity of tracers increases with volume fraction in radial and stream-wise directions however it goes through a peak at 15% in the azimuthal direction. European Research Council, Grant No. ERC-2013-CoG- 616186, TRITOS; SNIC (the Swedish National Infrastructure for Computing).

METHOD FOR REMOVAL OF LIGHT ISOTOPE PRODUCT FROM LIQUID THERMAL DIFFUSION UNITS

DOEpatents

Hoffman, J.D.; Ballou, J.K.

1957-11-19

A method and apparatus are described for removing the lighter isotope of a gaseous-liquid product from a number of diffusion columns of a liquid thermal diffusion system in two stages by the use of freeze valves. The subject liquid flows from the diffusion columns into a heated sloping capsule where the liquid is vaporized by the action of steam in a heated jacket surrounding the capsule. When the capsule is filled the gas flows into a collector. Flow between the various stages is controlled by freeze valves which are opened and closed by the passage of gas and cool water respectively through coils surrounding portions of the pipes through which the process liquid is passed. The use of the dual stage remover-collector and the freeze valves is an improvement on the thermal diffusion separation process whereby the fraction containing the lighter isotope many be removed from the tops of the diffusion columns without intercolumn flow, or prior stage flow while the contents of the capsule is removed to the final receiver.

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.

High subsonic flow tests of a parallel pipe followed by a large area ratio diffuser

NASA Technical Reports Server (NTRS)

Barna, P. S.

1975-01-01

Experiments were performed on a pilot model duct system in order to explore its aerodynamic characteristics. The model was scaled from a design projected for the high speed operation mode of the Aircraft Noise Reduction Laboratory. The test results show that the model performed satisfactorily and therefore the projected design will most likely meet the specifications.

Low Temperature Diffusion Transformations in Fe-Ni-Ti Alloys During Deformation and Irradiation

NASA Astrophysics Data System (ADS)

Sagaradze, Victor; Shabashov, Valery; Kataeva, Natalya; Kozlov, Kirill; Arbuzov, Vadim; Danilov, Sergey; Ustyugov, Yury

2018-03-01

The deformation-induced dissolution of Ni3Ti intermetallics in the matrix of austenitic alloys of Fe-36Ni-3Ti type was revealed in the course of their cascade-forming neutron irradiation and cold deformation at low temperatures via employment of Mössbauer method. The anomalous deformation-related dissolution of the intermetallics has been explained by the migration of deformation-induced interstitial atoms from the particles into a matrix in the stress field of moving dislocations. When rising the deformation temperature, this process is substituted for by the intermetallics precipitation accelerated by point defects. A calculation of diffusion processes has shown the possibility of the realization of the low-temperature diffusion of interstitial atoms in configurations of the crowdions and dumbbell pairs at 77-173 K. The existence of interstitial atoms in the Fe-36Ni alloy irradiated by electrons or deformed at 77 K was substantiated in the experiments of the electrical resistivity measurements.

Structure-rheology relationship in a sheared lamellar fluid.

PubMed

Jaju, S J; Kumaran, V

2016-03-01

The structure-rheology relationship in the shear alignment of a lamellar fluid is studied using a mesoscale model which provides access to the lamellar configurations and the rheology. Based on the equations and free energy functional, the complete set of dimensionless groups that characterize the system are the Reynolds number (ργL(2)/μ), the Schmidt number (μ/ρD), the Ericksen number (μγ/B), the interface sharpness parameter r, the ratio of the viscosities of the hydrophilic and hydrophobic parts μ(r), and the ratio of the system size and layer spacing (L/λ). Here, ρ and μ are the fluid density and average viscosity, γ is the applied strain rate, D is the coefficient of diffusion, B is the compression modulus, μ(r) is the maximum difference in the viscosity of the hydrophilic and hydrophobic parts divided by the average viscosity, and L is the system size in the cross-stream direction. The lattice Boltzmann method is used to solve the concentration and momentum equations for a two dimensional system of moderate size (L/λ=32) and for a low Reynolds number, and the other parameters are systematically varied to examine the qualitative features of the structure and viscosity evolution in different regimes. At low Schmidt numbers where mass diffusion is faster than momentum diffusion, there is fast local formation of randomly aligned domains with "grain boundaries," which are rotated by the shear flow to align along the extensional axis as time increases. This configuration offers a high resistance to flow, and the layers do not align in the flow direction even after 1000 strain units, resulting in a viscosity higher than that for an aligned lamellar phase. At high Schmidt numbers where momentum diffusion is fast, the shear flow disrupts layers before they are fully formed by diffusion, and alignment takes place by the breakage and reformation of layers by shear, resulting in defects (edge dislocations) embedded in a background of nearly aligned layers. At high Ericksen number where the viscous forces are large compared to the restoring forces due to layer compression and bending, shear tends to homogenize the concentration field, and the viscosity decreases significantly. At very high Ericksen number, shear even disrupts the layering of the lamellar phase. At low Ericksen number, shear results in the formation of well aligned layers with edge dislocations. However, these edge dislocations take a long time to anneal; the relatively small misalignment due to the defects results in a large increase in viscosity due to high layer stiffness and due to shear localization, because the layers between defects get pinned and move as a plug with no shear. An increase in the viscosity contrast between the hydrophilic and hydrophobic parts does not alter the structural characteristics during alignment. However, there is a significant increase in the viscosity, due to pinning of the layers between defects, which results in a plug flow between defects and a localization of the shear to a part of the domain.

Impact of grain size evolution on necking and pinch-and-swell formation in calcite layers

NASA Astrophysics Data System (ADS)

Schmalholz, Stefan Markus; Duretz, Thibault

2017-04-01

The formation of necking zones and the associated formation of pinch-and-swell structure is one form of strain localization in extending, competent layers. Natural pinch-and-swell structure in centimetre-thick calcite layers typically shows a reduction of grain size from swell towards pinch. However, the impact of grain size evolution on necking and pinch-and-swell formation is incompletely understood. We perform zero-dimensional (0D) and 2D thermo-mechanical numerical simulations to quantify the impact of grain size evolution on necking for extension rates between 10-12s^-1and10^-14 s-1 and temperatures around 350°C. For a combination of diffusion and dislocation creep we calculate grain size evolution according to the paleowattmeter (grain size is proportional to mechanical work rate) or the paleopiezometer (grain size is proportional to stress). Numerical results fit two observations: (i) grain size reduction from swells towards pinches, and (ii) dislocation creep dominated deformation in swells and significant contribution of diffusion creep in pinches. Modelled grain size in pinches (10 to 60 μm) and swells (70 to 800 μm) is close to observed grain size in pinches (15 to 27 μm) and in swells (250 to 1500 μm). Grain size evolution has only a minor impact on necking suggesting that grain size evolution is a consequence, and not the cause of necking. Viscous shear heating and grain size evolution had a negligible thermal impact in the simulations.

Impact of extended defects on recombination in CdTe heterostructures grown by molecular beam epitaxy

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

Zaunbrecher, Katherine N.; National Renewable Energy Laboratory, Golden, Colorado 80401; Kuciauskas, Darius

Heterostructures with CdTe and CdTe{sub 1-x}Se{sub x} (x ∼ 0.01) absorbers between two wider-band-gap Cd{sub 1-x}Mg{sub x}Te barriers (x ∼ 0.25–0.3) were grown by molecular beam epitaxy to study carrier generation and recombination in bulk materials with passivated interfaces. Using a combination of confocal photoluminescence (PL), time-resolved PL, and low-temperature PL emission spectroscopy, two extended defect types were identified and the impact of these defects on charge-carrier recombination was analyzed. The dominant defects identified by confocal PL were dislocations in samples grown on (211)B CdTe substrates and crystallographic twinning-related defects in samples on (100)-oriented InSb substrates. Low-temperature PL shows that twin-related defects have amore » zero-phonon energy of 1.460 eV and a Huang-Rhys factor of 1.50, while dislocation-dominated samples have a 1.473-eV zero-phonon energy and a Huang-Rhys factor of 1.22. The charge carrier diffusion length near both types of defects is ∼6 μm, suggesting that recombination is limited by diffusion dynamics. For heterostructures with a low concentration of extended defects, the bulk lifetime was determined to be 2.2 μs with an interface recombination velocity of 160 cm/s and an estimated radiative lifetime of 91 μs.« less

Small, high pressure ratio compressor: Aerodynamic and mechanical design

NASA Technical Reports Server (NTRS)

Bryce, C. A.; Erwin, J. R.; Perrone, G. L.; Nelson, E. L.; Tu, R. K.; Bosco, A.

1973-01-01

The Small, High-Pressure-Ratio Compressor Program was directed toward the analysis, design, and fabrication of a centrifugal compressor providing a 6:1 pressure ratio and an airflow rate of 2.0 pounds per second. The program consists of preliminary design, detailed areodynamic design, mechanical design, and mechanical acceptance tests. The preliminary design evaluate radial- and backward-curved blades, tandem bladed impellers, impeller-and diffuser-passage boundary-layer control, and vane, pipe, and multiple-stage diffusers. Based on this evaluation, a configuration was selected for detailed aerodynamic and mechanical design. Mechanical acceptance test was performed to demonstrate that mechanical design objectives of the research package were met.

Plastic Deformation of Quartz: Unfinished business?

NASA Astrophysics Data System (ADS)

Paterson, M. S.

2011-12-01

Starting at Harvard in the mid-1930's, David Griggs built a series of high pressure machines for experimental rock deformation. One persistent aim was to achieve the plastic deformation of quartz. Each time he built a new machine for higher pressure and/or temperature, one of the first materials he tested would be quartz. This search went on through a 500 MPa liquid-medium machine at temperatures up to 300°C, then with a gas-medium machine for temperatures up to 800°C, and finally with a solid-medium machine for higher pressures and temperatures. Quartz proved stubbornly resistant to deformation except at extremely high stresses until, finally and somewhat serendipitously, it was found possible to deform quartz at relatively low stresses in the presence of water under special conditions. The breakthrough came in an experiment in a 1500 MPa solid-medium apparatus in which talc was used as pressure medium. At the temperature of the experiment, the talc dehydrated and so released water. Under these conditions, natural quartz proved to be very weak and to readily undergo plastic deformation, a phenomenon that became known as "hydrolytic weakening". Soon after this discovery, it was also found that certain synthetic single crystals could be easily deformed ab initio. These crystals were from a particular set that had been grown rapidly under hydrothermal conditions and had incorporated water during growth. Attempts in our laboratory to weaken crystals in a gas-medium apparatus at around 300 MPa by cooking dry quartz in the presence of added water were all unsuccessful, although we could deform wet synthetic crystals. There was considerable speculation about a role of high pressure in promoting hydrolytic weakening, but the dilemma was eventually clarified by electron microscope studies by Fitz Gerald and coworkers. These studies showed that crystals that had been subjected to high pressure and temperature in the solid-medium apparatus were extensively microcracked, presumably due to non-hydrostatic stresses generated from the solid medium during raising the pressure, thus evidently promoting the ingress of water. From our gas-medium experiments it would seem that both the solubility and the rate of diffusion of water-related species in dry quartz must be very low, such that at 300 MPa and around 500 - 1000 °C the water penetrates less than a few micrometres in the course of a few hours. Thus the sluggishness of diffusion and the low equilibrium solubility of water-related species in quartz probably explain the failure to achieve hydrolytic weakening in the gas-medium apparatus. However, the documentation of these properties remains inadequate. The initial, and still current, Frank-Griggs hypothesis for the origin of hydrolytic weakening is that the water plays a role in the breaking of the covalent silicon-oxygen bonds as a dislocation is propagated. It is a corollary that the dislocation must be saturated with water or that the water must migrate with the dislocation as it moves. Heggie and Jones have done a number of ab initio calculations on the role of the water in the migration of dislocations in quartz which support the idea that the motion of dislocations is aided by the presence of water-related species in the dislocation core.

Dependence of charge transfer phenomena during solid-air two-phase flow on particle disperser

NASA Astrophysics Data System (ADS)

Tanoue, Ken-ichiro; Suedomi, Yuuki; Honda, Hirotaka; Furutani, Satoshi; Nishimura, Tatsuo; Masuda, Hiroaki

2012-12-01

An experimental investigation of the tribo-electrification of particles has been conducted during solid-air two-phase turbulent flow. The current induced in a metal plate by the impact of polymethylmethacrylate (PMMA) particles in a high-speed air flow was measured for two different plate materials. The results indicated that the contact potential difference between the particles and a stainless steel plate was positive, while for a nickel plate it was negative. These results agreed with theoretical contact charge transfer even if not only the particle size but also the kind of metal plate was changed. The specific charge of the PMMA particles during solid-air two-phase flow using an ejector, a stainless steel branch pipe, and a stainless steel straight pipe was measured using a Faraday cage. Although the charge was negative in the ejector, the particles had a positive specific charge at the outlet of the branch pipe, and this positive charge increased in the straight pipe. The charge decay along the flow direction could be reproduced by the charging and relaxation theory. However, the proportional coefficients in the theory changed with the particle size and air velocity. Therefore, an unexpected charge transfer occurred between the ejector and the branch pipe, which could not be explained solely by the contact potential difference. In the ejector, an electrical current in air might have been produced by self-discharge of particles with excess charge between the nickel diffuser in the ejector and the stainless steel nozzle or the stainless steel pipe due to a reversal in the contact potential difference between the PMMA and the stainless steel. The sign of the current depended on the particle size, possibly because the position where the particles impacted depended on their size. When dual coaxial glass pipes were used as a particle disperser, the specific charge of the PMMA particles became more positive along the particle flow direction due to the contact potential difference between the PMMA and the stainless steel. Furthermore, the current in air using the dual coaxial glass pipes was less than that using the ejector.

The evaluation of energy efficiency of convective heat transfer surfaces in tube bundles

NASA Astrophysics Data System (ADS)

Grigoriev, B. A.; Pronin, V. A.; Salohin, V. I.; Sidenkov, D. V.

2017-11-01

When evaluating the effectiveness of the heat exchange surfaces in the main considered characteristics such as heat flow (Q, Watt), the power required for pumps (N, Watt), and surface area of heat transfer (F, m2). The most correct comparison provides a comparison “ceteris paribus”. Carried out performance comparison “ceteris paribus” in-line and staggered configurations of bundles with a circular pipes can serve as a basis for the development of physical models of flow and heat transfer in tube bundles with tubes of other geometric shapes, considering intertubular stream with attached eddies. The effect of longitudinal and transverse steps of the pipes on the energy efficiency of different configurations would take into account by mean of physical relations between the structure of shell side flow with attached eddies and intensity of transfer processes of heat and momentum. With the aim of energy-efficient placement of tubes, such an approach opens up great opportunities for the synthesis of a plurality of tubular heat exchange surfaces, in particular, the layout of the twisted and in-line-diffuser type with a drop-shaped pipes.

Heat transfer in turbulent magneto-fluid-mechanic pipe flow

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

Andelman, M.P.

1975-12-01

The ability to predict heat transfer in Magneto-Fluid-Mechanic flow is of importance in light of the development of MHD generators and the proposed development of thermonuclear reactors. In both cases heat transfer from (or to) a conducting fluid in the presence of a magnetic field plays an important part in the overall economics of the system. A semi-empirical analytical method is given for obtaining heat transfer coefficients in turbulent liquid metal pipe flow in the presence of a magnetic field aligned to the flow. The analysis was based on the Lykoudis turbulent transport model with the influence of a longitudinalmore » magnetic field included. The results are shown to be in agreement with available experimental values. Experimental velocity profiles in mercury for pipe flow in a transverse magnetic field were made at a Reynolds number of 315,000; for Hartmann numbers of 0, 92, 184, 369, and 1198; and at orientations of 0 degrees, 45 degrees, and 90 degrees from the magnetic field. These results provide a basis for the determination of the effect of a transverse magnetic field on turbulent diffusivities.« less

Interface instabilities during displacements of two miscible fluids in a vertical pipe

NASA Astrophysics Data System (ADS)

Scoffoni, J.; Lajeunesse, E.; Homsy, G. M.

2001-03-01

We study experimentally the downward vertical displacement of one miscible fluid by another in a vertical pipe at sufficiently high velocities for diffusive effects to be negligible. For certain viscosity ratios and flow rates, the interface between the two fluids can destabilize. We determine the dimensionless flow rate Uc above which the instability is triggered and its dependence on the viscous ratio M, resulting in a stability map Uc=Uc(M). Two different instability modes have been observed: an asymmetric "corkscrew" mode and an axisymmetric one. We remark that the latter is always eventually disturbed by "corkscrew" type instabilities. We speculate that these instabilities are driven by the viscosity stratification and are analogous to those already observed in core annular flows of immiscible fluids.

Pressure Solution Creep and Textural Softening in Greenschist Facies Phyllonites

NASA Astrophysics Data System (ADS)

Wintsch, R. P.; Attenoukon, M.; Kunk, M. J.; McAleer, R. J.; Wathen, B.; Yi, D.

2016-12-01

We have found evidence for dissolution-precipitation creep (DPC) in phyllites and phyllonites naturally deformed at greenschist facies conditions. Since the experiments of Kronenberg et al. (1990) and Mares and Kronenberg (1993) micas are known to be among the weakest of rock-forming minerals. They deform by dislocation glide in their basal plane and when these micas are aligned and contiguous in an orientation favorable for glide they tend to localize strain into shear zones. Therefore, these closed-system experiments suggest that dislocation glide should be the dominant deformation mechanism in mica-rich shear zones from near surface through greenschist facies conditions. In contrast, in naturally deformed rocks we have found strong textural and chemical evidence that micas deform by dissolution-precipitation creep in phyllites at upper and lower greenschist facies conditions. In the Littleton Formation (N.H.) we find retrograde muscovite (pg5)-rich folia (Sn) truncating amphibolite facies Na-rich muscovite and biotite grains that define earlier foliations. Na-rich muscovite grains are also selectively replaced along crenulation axes and boudin necks where plastic and elastic strain are highest. In biotite grade regional metamorphic rocks in the Tananao schist of Taiwan muscovite-rich folia (Sn) truncate crenulated muscovite-biotite schists at high angles. In still lower (chlorite) grade phyllonitic fault zones marking terrane boundaries in southern New England (East Derby shear zone) and in Taiwan (Daugan shear zone) crenulated older fabrics are cut by new undeformed muscovite grains in chlorite-free planar folia. Further evidence for recrystallization rather than dislocation glide comes from the 40Ar/39Ar ages of muscovite in the new Sn folia younger than the age of the truncated folia. The younger ages in each case demonstrate that recrystallization was activated at lower shear stresses than dislocation glide, and that the recrystallization occurred at lower greenschist facies conditions below the closure temperature for diffusion of argon in muscovite. The increase in muscovite/chlorite ratios and change in microchemistry of Sn muscovite, the truncating microstructures, and isotopic results are all incompatible with deformation by dislocation creep.

Spatial Resolution Versus Data Acquisition Efficiency in Mapping an Inhomogeneous System with Species Diffusion

DOE PAGES

Chen, Fengxiang; Zhang, Yong; Gfroerer, T. H.; ...

2015-06-02

Traditionally, spatially-resolved photoluminescence (PL) has been performed using a point-by-point scan mode with both excitation and detection occurring at the same spatial location. But with the availability of high quality detector arrays like CCDs, an imaging mode has become popular for performing spatially-resolved PL. By illuminating the entire area of interest and collecting the data simultaneously from all spatial locations, the measurement efficiency can be greatly improved. However, this new approach has proceeded under the implicit assumption of comparable spatial resolution. We show here that when carrier diffusion is present, the spatial resolution can actually differ substantially between the twomore » modes, with the less efficient scan mode being far superior. We apply both techniques in investigation of defects in a GaAs epilayer – where isolated singlet and doublet dislocations can be identified. A superposition principle is developed for solving the diffusion equation to extract the intrinsic carrier diffusion length, which can be applied to a system with arbitrarily distributed defects. The understanding derived from this work is significant for a broad range of problems in physics and beyond (for instance biology) – whenever the dynamics of generation, diffusion, and annihilation of species can be probed with either measurement mode.« less

X-ray analysis of temperature induced defect structures in boron implanted silicon

NASA Astrophysics Data System (ADS)

Sztucki, M.; Metzger, T. H.; Kegel, I.; Tilke, A.; Rouvière, J. L.; Lübbert, D.; Arthur, J.; Patel, J. R.

2002-10-01

We demonstrate the application of surface sensitive diffuse x-ray scattering under the condition of grazing incidence and exit angles to investigate growth and dissolution of near-surface defects after boron implantation in silicon(001) and annealing. Silicon wafers were implanted with a boron dose of 6×1015 ions/cm2 at 32 keV and went through different annealing treatments. From the diffuse intensity close to the (220) surface Bragg peak we reveal the nature and kinetic behavior of the implantation induced defects. Analyzing the q dependence of the diffuse scattering, we are able to distinguish between point defect clusters and extrinsic stacking faults on {111} planes. Characteristic for stacking faults are diffuse x-ray intensity streaks along <111> directions, which allow for the determination of their growth and dissolution kinetics. For the annealing conditions of our crystals, we conclude that the kinetics of growth can be described by an Ostwald ripening model in which smaller faults shrink at the expense of the larger stacking faults. The growth is found to be limited by the self-diffusion of silicon interstitials. After longer rapid thermal annealing the stacking faults disappear almost completely without shrinking, most likely by transformation into perfect loops via a dislocation reaction. This model is confirmed by complementary cross-sectional transmission electron microscopy.

Synchrotron Radial X-ray Diffraction Studies of Deformation of Polycrystalline MgO

NASA Astrophysics Data System (ADS)

Girard, J.; Tsujino, N.; Mohiuddin, A.; Karato, S. I.

2016-12-01

X-ray diffraction analyses have been used for decades to study mechanical properties of polycrystalline samples during in-situ high-pressure deformation. When polycrystalline materials are deformed, stresses develop in grains and lead to lattice distortion. Using X-ray diffraction we can estimate the lattice strain for each (hkl) diffraction plans and calculate the applied stress for each (hkl), using [Singh, 1993] relation. However, this method doesn't take into account plastic anisotropy. As a results of plastic anisotropy present in the material, stress estimated from this method can be largely differ depending on (hkl) diffraction planes [Karato, 2009]. Studying the stress estimate for each (hkl) plane, might help us distinguish dominant deformation mechanisms activated during deformation such as diffusion (we will observe small stress variation as a function of (hkl) diffraction planes) or dislocation creep (we will observe a stress variation as a function of (hkl) diffraction planes that could also give us clues on potential slip system activity). In this study we observed stress evolution in MgO polycrystalline samples deformed under mantle pressure and temperature for (200) and (220) diffraction planes. Using a range MgO grain sizes we were able to control the active deformation mechanism (for e.g. diffusion creep or dislocation creep). For coarse-grained specimens, we observed strong (hkl) dependence of radial strain indicating the operation of dislocation creep. The observed (hkl) dependence changes with pressure suggesting a change in the slip system: at pressures higher than 27 GPa, (200) shows larger stress estimate than (220). In contrast, at lower pressures, (220) shows larger stress estimate than (200). This might indicate a slip system transition in MgO occurring under lower mantle conditions. From {110} plane to {100} plane. This is in good agreement with theoretical predictions and numerical calculation [Amodeo et al., 2012] and has an important implication for the interpretation of seismic anisotropy in the D" layer [Karato, 1998]. Amodeo, J., Carrey P., and P. Cordier (2012), Philosophical Magazine, 92(12). Karato, S-I. (1998), Earth and planets Space, 50, 1019-1028 Karato, S.-I. (2009), Physical Review. B, 79(21). Singh, A. K., (1993), Journal of Applied Physic, 73, 4278.

Damage coefficients in low resistivity silicon. [solar cells

NASA Technical Reports Server (NTRS)

Srour, J. R.; Othmer, S.; Chiu, K. Y.; Curtis, O. L., Jr.

1975-01-01

Electron and proton damage coefficients are determined for low resistivity silicon based on minority-carrier lifetime measurements on bulk material and diffusion length measurements on solar cells. Irradiations were performed on bulk samples and cells fabricated from four types of boron-doped 0.1 ohm-cm silicon ingots, including the four possible combinations of high and low oxygen content and high and low dislocation density. Measurements were also made on higher resistivity boron-doped bulk samples and solar cells. Major observations and conclusions from the investigation are discussed.

Cold Working and Annealing Effects on the Creep and Rupture Resistance of the Oxide-Dispersion-Strengthened Alloy MA754

DTIC Science & Technology

1983-11-01

boundary sliding. As a result, the steady state creep rate will have the form: Es EDIS ÷ GBS where I DIS = strain rate from dislocation motion and 6GBS...prevent diffusion bonding between the specimen heads and grips. The test apparatus used to perform the tensile tests was an Instron- Satec furnace...testing was done utilizing leveled creep racks (12,000 lb. capacity) modified to produce constant load or constant stress. The furnaces were of the Satec

Improved spatial regression analysis of diffusion tensor imaging for lesion detection during longitudinal progression of multiple sclerosis in individual subjects

NASA Astrophysics Data System (ADS)

Liu, Bilan; Qiu, Xing; Zhu, Tong; Tian, Wei; Hu, Rui; Ekholm, Sven; Schifitto, Giovanni; Zhong, Jianhui

2016-03-01

Subject-specific longitudinal DTI study is vital for investigation of pathological changes of lesions and disease evolution. Spatial Regression Analysis of Diffusion tensor imaging (SPREAD) is a non-parametric permutation-based statistical framework that combines spatial regression and resampling techniques to achieve effective detection of localized longitudinal diffusion changes within the whole brain at individual level without a priori hypotheses. However, boundary blurring and dislocation limit its sensitivity, especially towards detecting lesions of irregular shapes. In the present study, we propose an improved SPREAD (dubbed improved SPREAD, or iSPREAD) method by incorporating a three-dimensional (3D) nonlinear anisotropic diffusion filtering method, which provides edge-preserving image smoothing through a nonlinear scale space approach. The statistical inference based on iSPREAD was evaluated and compared with the original SPREAD method using both simulated and in vivo human brain data. Results demonstrated that the sensitivity and accuracy of the SPREAD method has been improved substantially by adapting nonlinear anisotropic filtering. iSPREAD identifies subject-specific longitudinal changes in the brain with improved sensitivity, accuracy, and enhanced statistical power, especially when the spatial correlation is heterogeneous among neighboring image pixels in DTI.

Heat pipes for sodium-sulfur batteries

NASA Astrophysics Data System (ADS)

Hartenstine, John R.

1989-08-01

The objective of this program was to develop a variable conductance heat pipe (VCHP) for the thermal management of sodium-sulfur batteries. The VCHP maintains the sodium sulfur battery within a specified temperature rise limit (20 C) while the battery discharges a thermal load from 0 watts to 500 watts. A preliminary full scale thermal management design was developed for the sodium-sulfur battery, incorporating the VCHPs and supporting integration hardware. The feasibility of the VCHPs for this application was proved by test. The VCHP developed in Phase 1 utilized titanium as the heat pipe envelope material, and cesium as the heat pipe working fluid. The wick structure was axial grooves. Analysis and test indicate that the VCHP can provide the passive thermal control necessary for the sodium-sulfur battery. Test data show that with the heat input from Q = 0 watts to Q = 500 watts, the VCHP evaporator temperature increased from 350 C to 385 C. The temperature control range was higher than predicted due to working fluid vapor diffusion into the noncondensible gas and thermal axial conduction into the VCHP reservoir. Analysis has shown that by utilizing VCHPs for passive temperature control, the sodium-sulfur battery cells will have a lower axial delta-T during discharge than a current louver design. The VCHP thermal management package has the potential to be used in geosynchronous earth orbits (GEO) and low earth orbits (LEO).

Seismic texture and amplitude analysis of large scale fluid escape pipes using time lapses seismic surveys: examples from the Loyal Field (Scotland, UK)

NASA Astrophysics Data System (ADS)

Maestrelli, Daniele; Jihad, Ali; Iacopini, David; Bond, Clare

2016-04-01

Fluid escape pipes are key features of primary interest for the analysis of vertical fluid flow and secondary hydrocarbon migration in sedimentary basin. Identified worldwide (Løset et al., 2009), they acquired more and more importance as they represent critical pathways for supply of methane and potential structure for leakage into the storage reservoir (Cartwright & Santamarina, 2015). Therefore, understanding their genesis, internal characteristics and seismic expression, is of great significance for the exploration industry. Here we propose a detailed characterization of the internal seismic texture of some seal bypass system (e.g fluid escape pipes) from a 4D seismic survey (released by the BP) recently acquired in the Loyal Field. The seal by pass structure are characterized by big-scale fluid escape pipes affecting the Upper Paleogene/Neogene stratigraphic succession in the Loyal Field, Scotland (UK). The Loyal field, is located on the edge of the Faroe-Shetland Channel slope, about 130 km west of Shetland (Quadrants 204/205 of the UKCS) and has been recently re-appraised and re developed by a consortium led by BP. The 3D detailed mapping analysis of the full and partial stack survey (processed using amplitude preservation workflows) shows a complex system of fluid pipe structure rooted in the pre Lista formation and developed across the paleogene and Neogene Units. Geometrical analysis show that pipes got diameter varying between 100-300 m and a length of 500 m to 2 km. Most pipes seem to terminate abruptly at discrete subsurface horizons or in diffuse termination suggesting multiple overpressured events and lateral fluid migration (through Darcy flows) across the overburden units. The internal texture analysis of the large pipes, (across both the root and main conduit zones), using near, medium and far offset stack dataset (processed through an amplitude preserved PSTM workflow) shows a tendency of up-bending of reflection (rather than pulls up artefacts) affected by large scale fracture (semblance image) and seem consistent with a suspended mud/sand mixture non-fluidized fluid flow. Near-Middle-Far offsets amplitude analysis confirms that most of the amplitude anomalies within the pipes conduit and terminus are only partly related to gas. An interpretation of the possible texture observed is proposed with a discussion of the noise and artefact induced by resolution and migration problems. Possible hypothetical formation mechanisms for those Pipes are discussed.

Response of Water Levels in Devils Hole, Death Valley National Park, Nevada, to Atmospheric Loading, Earth Tides, and Earthquakes

NASA Astrophysics Data System (ADS)

Cutillo, P. A.; Ge, S.

2004-12-01

Devils Hole, home to the endangered Devils Hole pupfish (Cyprinodon diabolis) in Death Valley National Park, Nevada, is one of about 30 springs and the largest collapse depression in the Ash Meadows area. The small pool leads to an extensive subterranean cavern within the regional Paleozoic carbonate-rock aquifer. Previous work has established that the pool level fluctuates in response to changes in barometric pressure, Earth tides and earthquakes. Analyses of these fluctuations indicate that the formation is a sensitive indicator of crustal strain, and provide important information regarding the material properties of the surrounding aquifer. Over ten years of hourly water-level measurements were analyzed for the effects of atmospheric loading and Earth tides. The short-term water-level fluctuations caused by these effects were found to be on the order of millimeters to centimeters, indicating relatively low matrix compressibility. Accordingly, the Devils Hole water-level record shows strong responses to the June 28, 1992 Landers/Little Skull Mountain earthquake sequence and to the October 16, 1999 Hector Mine earthquake. A dislocation model was used to calculate volumetric strain for each earthquake. The sensitivity of Devils Hole to strain induced by the solid Earth tide was used to constrain the modeling. Water-level decreases observed following the 1992 and 1999 earthquakes were found to be consistent with areas of crustal expansion predicted by the dislocation model. The magnitude of the water-level changes was also found to be proportional to the predicted coseismic volumetric strain. Post-seismic pore-pressure diffusion, governed by the hydraulic diffusivity of the aquifer, was simulated with a numerical model using the coseismic change in pore pressure as an initial condition. Results of the numerical model indicate that factors such as fault-plane geometry and aquifer heterogeneity may play an important role in controlling pore pressure diffusion in the Devils Hole area.

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.

Temperature dependence of the crystalline quality of AlN layer grown on sapphire substrates by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Li, Xiao-Hang; Wei, Yong O.; Wang, Shuo; Xie, Hongen; Kao, Tsung-Ting; Satter, Md. Mahbub; Shen, Shyh-Chiang; Douglas Yoder, P.; Detchprohm, Theeradetch; Dupuis, Russell D.; Fischer, Alec M.; Ponce, Fernando A.

2015-03-01

We studied temperature dependence of crystalline quality of AlN layers at 1050-1250 °C with a fine increment step of around 18 °C. The AlN layers were grown on c-plane sapphire substrates by metalorganic chemical vapor deposition (MOCVD) and characterized by X-ray diffraction (XRD) ω-scans and atomic force microscopy (AFM). At 1050-1068 °C, the templates exhibited poor quality with surface pits and higher XRD (002) and (102) full-width at half-maximum (FWHM) because of insufficient Al atom mobility. At 1086 °C, the surface became smooth suggesting sufficient Al atom mobility. Above 1086 °C, the (102) FWHM and thus edge dislocation density increased with temperatures which may be attributed to the shorter growth mode transition from three-dimension (3D) to two-dimension (2D). Above 1212 °C, surface macro-steps were formed due to the longer diffusion length of Al atoms than the expected step terrace width. The edge dislocation density increased rapidly above 1212 °C, indicating this temperature may be a threshold above which the impact of the transition from 3D to 2D is more significant. The (002) FWHM and thus screw dislocation density were insensitive to the temperature change. This study suggests that high-quality AlN/sapphire templates may be potentially achieved at temperatures as low as 1086 °C which is accessible by most of the III-nitride MOCVD systems.

Phase Transformation and Creep Behavior in Ti50Pd30Ni20 High Temperature Shape Memory Alloy in Compression

NASA Technical Reports Server (NTRS)

Kumar, Parikshith K.; Desai, Uri; Monroe, James; Lagoudas, Dimitris C.; Karaman, Ibrahim; Noebe, Ron; Bigelow, Glenn

2010-01-01

The creep behavior and the phase transformation of Ti50Pd30Ni20 High Temperature Shape Memory Alloy (HTSMA) is investigated by standard creep tests and thermomechanical tests. Ingots of the alloy are induction melted, extruded at high temperature, from which cylindrical specimens are cut and surface polished. A custom high temperature test setup is assembled to conduct the thermomechanical tests. Following preliminary monotonic tests, standard creep tests and thermally induced phase transformation tests are conducted on the specimen. The creep test results suggest that over the operating temperatures and stresses of this alloy, the microstructural mechanisms responsible for creep change. At lower stresses and temperatures, the primary creep mechanism is a mixture of dislocation glide and dislocation creep. As the stress and temperature increase, the mechanism shifts to predominantly dislocation creep. If the operational stress or temperature is raised even further, the mechanism shifts to diffusion creep. The thermally induced phase transformation tests show that actuator performance can be affected by rate independent irrecoverable strain (transformation induced plasticity + retained martensite) as well as creep. The rate of heating and cooling can adversely impact the actuators performance. While the rate independent irrecoverable strain is readily apparent early in the actuators life, viscoplastic strain continues to accumulate over the lifespan of the HTSMA. Thus, in order to get full actuation out of the HTSMA, the heating and cooling rates must be sufficiently high enough to avoid creep.

Mechanism of Dynamic Strain Aging in a Niobium-Stabilized Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Zhou, Hongwei; Bai, Fengmei; Yang, Lei; Wei, Hailian; Chen, Yan; Peng, Guosheng; He, Yizhu

2018-04-01

Dynamic strain aging (DSA) behavior of a niobium (Nb)-stabilized austenitic stainless steel (TP347H) was studied from room temperature (RT) to 973 K via tensile testing, transmission electron microscopy (TEM), and internal friction (IF) measurements. The DSA effect is nearly negligible from 573 K to 673 K, and it becomes significant at temperatures between 773 K and 873 K with strain rates of 3 × 10-3 s-1, 8 × 10-4 s-1, and 8 × 10-5 s-1, respectively. The results indicate that a dislocation planar slip is dominant in the strong DSA regime. The Snoek-like peak located at 625 K is highly sensitive to the diffusion of free carbon (C) atoms in solid solution. C-Nb octahedrons are formed by C chemical affinity to substitutional Nb solute atoms. Octahedron structure is very stable and captures most free C atoms and inhibits DSA at low tensile test temperatures of 573 K to 673 K. At high test temperatures in the range from 773 K to 873 K, C-Nb octahedrons break up and release free C and Nb atoms, resulting in the stronger Snoek-like peak. The interaction between C atoms and dislocations is responsible for DSA at low temperatures ranging from 573 K to 673 K. At higher temperature of 773 K to 873 K, the Cr and Nb atoms lock the dislocations, and this formation contributes to DSA.

Double diffusivity model under stochastic forcing

NASA Astrophysics Data System (ADS)

Chattopadhyay, Amit K.; Aifantis, Elias C.

2017-05-01

The "double diffusivity" model was proposed in the late 1970s, and reworked in the early 1980s, as a continuum counterpart to existing discrete models of diffusion corresponding to high diffusivity paths, such as grain boundaries and dislocation lines. It was later rejuvenated in the 1990s to interpret experimental results on diffusion in polycrystalline and nanocrystalline specimens where grain boundaries and triple grain boundary junctions act as high diffusivity paths. Technically, the model pans out as a system of coupled Fick-type diffusion equations to represent "regular" and "high" diffusivity paths with "source terms" accounting for the mass exchange between the two paths. The model remit was extended by analogy to describe flow in porous media with double porosity, as well as to model heat conduction in media with two nonequilibrium local temperature baths, e.g., ion and electron baths. Uncoupling of the two partial differential equations leads to a higher-ordered diffusion equation, solutions of which could be obtained in terms of classical diffusion equation solutions. Similar equations could also be derived within an "internal length" gradient (ILG) mechanics formulation applied to diffusion problems, i.e., by introducing nonlocal effects, together with inertia and viscosity, in a mechanics based formulation of diffusion theory. While being remarkably successful in studies related to various aspects of transport in inhomogeneous media with deterministic microstructures and nanostructures, its implications in the presence of stochasticity have not yet been considered. This issue becomes particularly important in the case of diffusion in nanopolycrystals whose deterministic ILG-based theoretical calculations predict a relaxation time that is only about one-tenth of the actual experimentally verified time scale. This article provides the "missing link" in this estimation by adding a vital element in the ILG structure, that of stochasticity, that takes into account all boundary layer fluctuations. Our stochastic-ILG diffusion calculation confirms rapprochement between theory and experiment, thereby benchmarking a new generation of gradient-based continuum models that conform closer to real-life fluctuating environments.

Estimation of the effective growth rate of a plate of bainitic ferrite in dynamic theory

NASA Astrophysics Data System (ADS)

Kashchenko, M. P.; Chashchina, V. G.

2013-03-01

The growth of a bainite plate is considered to be a relay-type process, in which fast (with τg ˜ 10-10 s) acts of the formation of sublaths (with a width 3 d ˜ 1 μm, where d is the thickness of the sublath) occur in an ultrasonic regime and the successive acts are separated by pauses of length τp ˜ 10-2 s. The value τp corresponds to the time of diffusion on a scale d with allowance for the pipe diffusion. The effective growth rate of the plate of bainite ferrite v eff is estimated by the relationship 3 d/τp.

STAN5: A program for numerical computation of two-dimensional internal and external boundary layer flows

NASA Technical Reports Server (NTRS)

Crawford, M. E.; Kays, W. M.

1976-01-01

A large variety of two dimensional flows can be accommodated by the program, including boundary layers on a flat plate, flow inside nozzles and diffusers (for a prescribed potential flow distribution), flow over axisymmetric bodies, and developing and fully developed flow inside circular pipes and flat ducts. The flows may be laminar or turbulent, and provision is made to handle transition.

Comparison of Turbulent Thermal Diffusivity and Scalar Variance Models

NASA Technical Reports Server (NTRS)

Yoder, Dennis A.

2016-01-01

In this study, several variable turbulent Prandtl number formulations are examined for boundary layers, pipe flow, and axisymmetric jets. The model formulations include simple algebraic relations between the thermal diffusivity and turbulent viscosity as well as more complex models that solve transport equations for the thermal variance and its dissipation rate. Results are compared with available data for wall heat transfer and profile measurements of mean temperature, the root-mean-square (RMS) fluctuating temperature, turbulent heat flux and turbulent Prandtl number. For wall-bounded problems, the algebraic models are found to best predict the rise in turbulent Prandtl number near the wall as well as the log-layer temperature profile, while the thermal variance models provide a good representation of the RMS temperature fluctuations. In jet flows, the algebraic models provide no benefit over a constant turbulent Prandtl number approach. Application of the thermal variance models finds that some significantly overpredict the temperature variance in the plume and most underpredict the thermal growth rate of the jet. The models yield very similar fluctuating temperature intensities in jets from straight pipes and smooth contraction nozzles, in contrast to data that indicate the latter should have noticeably higher values. For the particular low subsonic heated jet cases examined, changes in the turbulent Prandtl number had no effect on the centerline velocity decay.

The K 2S 2O 8-KOH photoetching system for GaN

NASA Astrophysics Data System (ADS)

Weyher, J. L.; Tichelaar, F. D.; van Dorp, D. H.; Kelly, J. J.; Khachapuridze, A.

2010-09-01

A recently developed photoetching system for n-type GaN, a KOH solution containing the strong oxidizing agent potassium peroxydisulphate (K 2S 2O 8), was studied in detail. By careful selection of the etching parameters, such as the ratio of components and the hydrodynamics, two distinct modes were defined: defect-selective etching (denoted by KSO-D) and polishing (KSO-P). Both photoetching methods can be used under open-circuit (electroless) conditions. Well-defined dislocation-related etch whiskers are formed during KSO-D etching. All types of dislocations are revealed, and this was confirmed by cross-sectional TEM examination of the etched samples. Extended electrically active defects are also clearly revealed. The known relationship between etch rate and carrier concentration for photoetching of GaN in KOH solutions was confirmed for KSO-D etch using Raman measurements. It is shown that during KSO-P etching diffusion is the rate-limiting step, i.e. this etch is suitable for polishing of GaN. Some constraints of the KSO etching system for GaN are discussed and peculiar etch features, so far not understood, are described.

Phase field crystal simulation of stress induced localized solid-state amorphization in nanocrystalline materials

NASA Astrophysics Data System (ADS)

Xi, Wen; Song, Xiaoqing; Hu, Shi; Chen, Zheng

2017-11-01

In this work, the phase field crystal (PFC) method is used to study the localized solid-state amorphization (SSA) and its dynamic transformation process in polycrystalline materials under the uniaxial tensile deformation with different factors. The impacts of these factors, including strain rates, temperatures and grain sizes, are analyzed. Kinetically, the ultra-high strain rate causes the lattice to be seriously distorted and the grain to gradually collapse, so the dislocation density rises remarkably. Therefore, localized SSA occurs. Thermodynamically, as high temperature increases the activation energy, the atoms are active and prefer to leave the original position, which induce atom rearrangement. Furthermore, small grain size increases the percentage of grain boundary and the interface free energy of the system. As a result, Helmholtz free energy increases. The dislocations and Helmholtz free energy act as the seed and driving force for the process of the localized SSA. Also, the critical diffusion-time step and the percentage of amorphous region areas are calculated. Through this work, the PFC method is proved to be an effective means to study localized SSA under uniaxial tensile deformation.

Characteristics of Au Migration and Concentration Distributions in Au-Doped HgCdTe LPE Materials

NASA Astrophysics Data System (ADS)

Sun, Quanzhi; Yang, Jianrong; Wei, Yanfeng; Zhang, Juan; Sun, Ruiyun

2015-08-01

Annealing techniques and secondary ion mass spectrometry have been used to study the characteristics of Au migration and concentration distributions in HgCdTe materials grown by liquid phase epitaxy. Secondary ion mass spectrometry measurements showed that Au concentrations had obvious positive correlations with Hg-vacancy concentration and dislocation density of the materials. Au atoms migrate toward regions of high Hg-vacancy concentration or move away from these regions when the Hg-vacancy concentration decreases during annealing. The phenomenon can be explained by defect chemical equilibrium theory if Au atoms have a very large migration velocity compared with Hg vacancies. Au atoms will also migrate toward regions of high dislocation density, leading to a peak concentration in the inter-diffusion region of HgCdTe materials near the substrate. By use of an Hg and Te-rich annealing technique, different concentration distributions of both Au atoms and Hg vacancies in HgCdTe materials were obtained, indicating that Au-doped HgCdTe materials can be designed and prepared to satisfy the requirements of HgCdTe devices.

Phase field crystal simulation of stress induced localized solid-state amorphization in nanocrystalline materials.

PubMed

Xi, Wen; Song, Xiaoqing; Hu, Shi; Chen, Zheng

2017-11-29

In this work, the phase field crystal (PFC) method is used to study the localized solid-state amorphization (SSA) and its dynamic transformation process in polycrystalline materials under the uniaxial tensile deformation with different factors. The impacts of these factors, including strain rates, temperatures and grain sizes, are analyzed. Kinetically, the ultra-high strain rate causes the lattice to be seriously distorted and the grain to gradually collapse, so the dislocation density rises remarkably. Therefore, localized SSA occurs. Thermodynamically, as high temperature increases the activation energy, the atoms are active and prefer to leave the original position, which induce atom rearrangement. Furthermore, small grain size increases the percentage of grain boundary and the interface free energy of the system. As a result, Helmholtz free energy increases. The dislocations and Helmholtz free energy act as the seed and driving force for the process of the localized SSA. Also, the critical diffusion-time step and the percentage of amorphous region areas are calculated. Through this work, the PFC method is proved to be an effective means to study localized SSA under uniaxial tensile deformation.

Effects of Amplitude Variations on Deformation and Damage Evolution in SnAgCu Solder in Isothermal Cycling

NASA Astrophysics Data System (ADS)

Wentlent, Luke; Alghoul, Thaer M.; Greene, Christopher M.; Borgesen, Peter

2018-02-01

Although apparently simpler than in thermal cycling, the behavior of SnAgCu (SAC) solder joints in cyclic bending or vibration is not currently well understood. The rate of damage has been shown to scale with the inelastic work per cycle, and excursions to higher amplitudes lead to an apparent softening, some of which remains so that damage accumulation is faster in subsequent cycling at lower amplitudes. This frequently leads to a dramatic breakdown of current damage accumulation rules. An empirical damage accumulation rule has been proposed to account for this, but any applicability to the extrapolation of accelerated test results to life under realistic long-term service conditions remains to be validated. This will require a better understanding of the underlying mechanisms. The present work provides experimental evidence to support recent suggestions that the observed behavior is a result of cycling-induced dislocation structures providing for increased diffusion creep. It is argued that this means that the measured work is an indicator of the instantaneous dislocation density, rather than necessarily reflecting the actual work involved in the creation of the damage.

Diffusive boundary layers at the bottom of gaps and cracks

NASA Astrophysics Data System (ADS)

Etzold, Merlin A.; Landel, Julien R.; Dalziel, Stuart B.

2017-11-01

This work is motivated by the chemical decontamination of droplets of chemical warfare agents trapped in the gaps and cracks found in most man-made objects. We consider axial laminar flow within gaps with both straight and angled walls. We study the diffusive mass transfer from a source (e.g. a droplet surface) located at the bottom of the gap. This problem is similar to boundary layers and Graetz-type problems (heat transfer in pipe flow) with the added complication of a non-uniform lateral concentration profile due to the lateral variation of the velocity profile. We present 3D solutions for the diffusive boundary layer and demonstrate that a 2D mean-field model, for which we calculate series and similarity solutions, captures the essential physics. We demonstrate the immediate practical relevance of our findings by comparing decontamination of a droplet located in a gap and on an exposed surface.

Turbulent patterns in wall-bounded flows: A Turing instability?

NASA Astrophysics Data System (ADS)

Manneville, Paul

2012-06-01

In their way to/from turbulence, plane wall-bounded flows display an interesting transitional regime where laminar and turbulent oblique bands alternate, the origin of which is still mysterious. In line with Barkley's recent work about the pipe flow transition involving reaction-diffusion concepts, we consider plane Couette flow in the same perspective and transform Waleffe's classical four-variable model of self-sustaining process into a reaction-diffusion model. We show that, upon fulfillment of a condition on the relative diffusivities of its variables, the featureless turbulent regime becomes unstable against patterning as the result of a Turing instability. A reduced two-variable model helps us to delineate the appropriate region of parameter space. An intrinsic status is therefore given to the pattern's wavelength for the first time. Virtues and limitations of the model are discussed, calling for a microscopic support of the phenomenological approach.

Diffusion thermique et de porteurs de courant au voisinage d'un joint de grain

NASA Astrophysics Data System (ADS)

Lepoutre, F.

1993-07-01

The photothermal methods (indirect detection of the temperature increase of a sample after absorption of a pulsed or modulated light beam) allow to measure the thermal and electronic diffusions that follow the optical absorption. We report the main applications of a photothermal microscope that we have built to provide informations about these diffusion phenomena at a micronic scale. Comparisons between the photothermal observations and microanalysis data associated with electronic microscopy have been achieved to get qualitative informations. In the case of a purely thermal diffusion this apparatus is able to detect the resistances which may appear at grain boundaries or inside the grains themselves. We present some interesting experimental features which seem to be closely related to the physical origins of these resistances (crystal orientation, dislocation, segregation, secondary phases, cracks). Using a theoretical model developed by other authors we also report quantitative values of the detected thermal resistances that we relate to macroscopic thermal diffusivities measurements of the inspected materials. When electronic carriers are photogenerated by the light excitation, the photothermal microscope can be used to follow the diffusion and the recombination of these carriers. A competition between plasma and heat diffusions is then observed. Such a competition is illustrated in the case of silicon bicristals containing metallic impurities. Les méthodes phototherrniques (détection indirecte de l'accroissement de température d'un échantillon après absorption d'un flux lumineux modulé ou pulsé de lumière) permettent d'étudier les diffusions thermique et électronique qui suivent l'absorption optique. Nous présentons dans cet article les principales applications d'un microscope photothermique que nous avons construit pour suivre les phénomènes de diffusion à l'échelle du micromètre. Des comparaisons entre les observations photothermiques et des résultats de microanalyse permettent d'obtenir des informations qualitatives. Dans les cas où les phénomènes observés sont purement thermiques, cet appareil permet de détecter les résistances thermiques qui apparaissent aux joints de grain ou à l'intérieur des grains eux-mêmes. Nous présentons des résultats expérimentaux qui semblent reliés à l'origine physique de ces résistances thermiques de contact (orientation cristalline, ségrégation, phase secondaire, dislocation, fissuration). En utilisant un modèle théorique développé par d'autres auteurs, nous rapportons également des valeurs quantitatives de résistances thermiques qui ont pu être reliées à des mesures macroscopiques de la diffusivité thermique des matériaux inspectés. Lorsque l'excitation lumineuse génère des porteurs électroniques, le microscope photothermique peut être utilisé pour suivre la diffusion et la recombinaison de ces porteurs. La compétition entre les diffusions électronique et thermique est alors observée. Une illustration de ces phénomènes est donnée dans le cas des bicristaux de silicium contenant des impuretés métalliques.

Hydrogen passivation of N(+)-P and P(+)-N heteroepitaxial InP solar cell structures

NASA Technical Reports Server (NTRS)

Chatterjee, Basab; Davis, William C.; Ringel, Steve A.; Hoffman, Richard, Jr.

1996-01-01

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n-p and p-n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)-p and p(+)-n heteroepitaxial InP cell structures from as-grown values of 5-7 x 10(exp 14) cm(exp -3), down to 3-5 x 10(exp 12) cm(exp -3). All dopants were successfully reactivated by a 400 C, 5 minute anneal with no detectable activation of deep levels. One to five analysis indicated a subsequent approximately 100 fold decrease in reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)-n structures. In addition to being passivated, dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Hydrogen Passivation of N(+)P and P(+)N Heteroepitaxial InP Solar Cell Structures

NASA Technical Reports Server (NTRS)

Chatterjee, B.; Davis, W. C.; Ringel, S. A.; Hoffman, R., Jr.

1995-01-01

Dislocations and related point defect complexes caused by lattice mismatch currently limit the performance of heteroepitaxial InP cells by introducing shunting paths across the active junction and by the formation of deep traps within the base region. We have previously demonstrated that plasma hydrogenation is an effective and stable means to passivate the electrical activity of such defects in specially designed heteroepitaxial InP test structures to probe hydrogen passivation at typical base depths within a cell structure. In this work, we present our results on the hydrogen passivation of actual heteroepitaxial n(+)p and p(+)n InP cell structures grown on GaAs substrates by metalorganic chemical vapor deposition (MOCVD). We have found that a 2 hour exposure to a 13.56 MHz hydrogen plasma at 275 C reduces the deep level concentration in the base regions of both n(+)p and p(+)n heteroepitaxial InP cell structures from as-grown values of 5 - 7 x 10(exp 14)/cc, down to 3 - 5 x 10(exp 12)/cc. All dopants were successfully reactivated by a 400 C, 5 minute anneal With no detectable activation of deep levels. I-V analysis indicated a subsequent approx. 100 fold decrease In reverse leakage current at -1 volt reverse bias, and an improved built in voltage for the p(+)n structures. ln addition to being passivated,dislocations are also shown to participate in secondary interactions during hydrogenation. We find that the presence of dislocations enhances hydrogen diffusion into the cell structure, and lowers the apparent dissociation energy of Zn-H complexes from 1.19 eV for homoepitaxial Zn-doped InP to 1.12 eV for heteroepitaxial Zn-doped InP. This is explained by additional hydrogen trapping at dislocations subsequent to the reactivation of Zn dopants after hydrogenation.

Numerical investigation of the influence of electromagnetic treatment on calcium carbonate scaling rate in non-isothermal pipe flow

NASA Astrophysics Data System (ADS)

Kireev, Victor; Kovaleva, Liana; Isakov, Andrey; Alimbekova, Sofya

2017-11-01

In the present paper, an attempt to explain the mechanisms of the electromagnetic field influence on the process of formation and deposition of calcium carbonate from supersaturated brine solution has been made using numerical modeling. The one-dimensional mathematical model of the brine laminar flow through a cylindrical tube with non-uniform temperature field is written in the form of the system of transient convection-diffusion-reaction partial differential equations describing temperature field and chemical components concentrations (Ca2+, HCO3-, CaCO3). The influence of the temperature on the kinetics of formation of calcium carbonate is taken into account and it is described in accordance with the Arrhenius equation. The kinetics of the calcium carbonate precipitation on the wall of the pipe is given on the basis of the Henry isotherm. It has been established that the electromagnetic treatment of brine solution leads to a decrease of the adsorption rate constant and Henry's constant but it does not significantly influence on the chemical reaction rate of calcium carbonate formation. It also has been shown that treatment with electromagnetic field significantly reduces the amount of calcium carbonate deposits on the wall of the pipe.

A novel simulation theory and model system for multi-field coupling pipe-flow system

NASA Astrophysics Data System (ADS)

Chen, Yang; Jiang, Fan; Cai, Guobiao; Xu, Xu

2017-09-01

Due to the lack of a theoretical basis for multi-field coupling in many system-level models, a novel set of system-level basic equations for flow/heat transfer/combustion coupling is put forward. Then a finite volume model of quasi-1D transient flow field for multi-species compressible variable-cross-section pipe flow is established by discretising the basic equations on spatially staggered grids. Combining with the 2D axisymmetric model for pipe-wall temperature field and specific chemical reaction mechanisms, a finite volume model system is established; a set of specific calculation methods suitable for multi-field coupling system-level research is structured for various parameters in this model; specific modularisation simulation models can be further derived in accordance with specific structures of various typical components in a liquid propulsion system. This novel system can also be used to derive two sub-systems: a flow/heat transfer two-field coupling pipe-flow model system without chemical reaction and species diffusion; and a chemical equilibrium thermodynamic calculation-based multi-field coupling system. The applicability and accuracy of two sub-systems have been verified through a series of dynamic modelling and simulations in earlier studies. The validity of this system is verified in an air-hydrogen combustion sample system. The basic equations and the model system provide a unified universal theory and numerical system for modelling and simulation and even virtual testing of various pipeline systems.

Effect of Long-Term Service on Microstructure and Mechanical Properties of Martensitic 9% Cr Steel

NASA Astrophysics Data System (ADS)

Golański, Grzegorz; Zielińska-Lipiec, Anna; Zieliński, Adam; Sroka, Marek

2017-03-01

The paper presents the results of research on the X10CrMoVNbN9-1 (T91) steel after long-term service. The material for testing was taken from a pipe section of a boiler superheater coil serviced for around 105,000 h at the temperature of 540 °C, at the pressure of 12.5 MPa. A quantitative analysis including the measurement of mean diameter of subgrains and precipitates as well as the density of dislocations of the examined steel was performed by means of TEM. The microscopic tests of T91 steel were complemented with the results of tests on mechanical properties which included also the short creep tests. After service, the investigated steel was characterized by a retained lath microstructure of tempered martensite with fine subgrain and quite large density of dislocations as well as numerous precipitates. In the microstructure, apart from the particles of M23C6 and MX (VX, NbC, V-wings), the precipitates of Laves phase and single particles of Z phase were revealed. It has been shown that the extent of degradation of the T91 steel microstructure was minor, which resulted from its low temperature of service. Performed tests of mechanical properties showed that these properties fulfilled the minimum requirements for this steel in the as-received condition. A favorable influence of fine precipitates of Laves phase on mechanical properties was observed. Moreover, an insignificant influence of single precipitates of Z phase on the creep resistance of the examined steel was stated.

Rheology of water and ammonia-water ices

NASA Technical Reports Server (NTRS)

Goldsby, D. L.; Kohlstedt, D. L.; Durham, W. B.

1993-01-01

Creep experiments on fine-grained water and ammonia-water ices have been performed at one atmosphere and high confining pressure in order to develop constitutive relationships necessary to model tectonic processes and interpret surface features of icy moons of the outer solar system. The present series of experiments explores the effects of temperature, strain rate, grain size, and melt fraction on creep strength. In general, creep strength decreases with increasing temperature, decreasing strain rate, and increasing melt fraction. A transition from dislocation creep to diffusion creep occurs at finer grain sizes, higher temperatures, and lower strain rates.

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.

Comparison of Pumped and Diffusion Sampling Methods to Monitor Concentrations of Perchlorate and Explosive Compounds in Ground Water, Camp Edwards, Cape Cod, Massachusetts, 2004-05

USGS Publications Warehouse

LeBlanc, Denis R.; Vroblesky, Don A.

2008-01-01

Laboratory and field tests were conducted at Camp Edwards on the Massachusetts Military Reservation on Cape Cod to examine the utility of passive diffusion sampling for long-term monitoring of concentrations of perchlorate and explosive compounds in ground water. The diffusion samplers were constructed of 1-inch-diameter rigid, porous polyethylene tubing. The results of laboratory tests in which diffusion samplers were submerged in containers filled with ground water containing perchlorate, RDX (hexahydro-1,3,5-trinitro-1,3,5-triazine), and HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) indicate that concentrations inside the diffusion samplers equilibrated with concentrations in the containers within the 19-day-long test period. Field tests of the diffusion samplers were conducted in 15 wells constructed of 2- or 2.5-inch-diameter polyvinyl chloride pipe with 10-foot-long slotted screens. Concentrations of perchlorate, RDX, and HMX in the diffusion samplers placed in the wells for 42 to 52 days were compared to concentrations in samples collected by low-flow pumped sampling from 53 days before to 109 days after retrieval of the diffusion samples. The results of the field tests indicate generally good agreement between the pumped and diffusion samples for concentrations of perchlorate, RDX, and HMX. The concentration differences indicate no systematic bias related to contaminant type or concentration levels.

Crystal surface integrity and diffusion measurements on Earth and planetary materials

NASA Astrophysics Data System (ADS)

Watson, E. B.; Cherniak, D. J.; Thomas, J. B.; Hanchar, J. M.; Wirth, R.

2016-09-01

Characterization of diffusion behavior in minerals is key to providing quantitative constraints on the ages and thermal histories of Earth and planetary materials. Laboratory experiments are a vital source of the needed diffusion measurements, but these can pose challenges because the length scales of diffusion achievable in a laboratory time are commonly less than 1 μm. An effective strategy for dealing with this challenge is to conduct experiments involving inward diffusion of the element of interest from a surface source, followed by quantification of the resulting diffusive-uptake profile using a high-resolution depth-profiling technique such as Rutherford backscattering spectroscopy (RBS), nuclear reaction analysis (NRA), or ion microprobe (SIMS). The value of data from such experiments is crucially dependent on the assumption that diffusion in the near-surface of the sample is representative of diffusion in the bulk material. Historical arguments suggest that the very process of preparing a polished surface for diffusion studies introduces defects-in the form of dislocations and cracks-in the outermost micrometer of the sample that make this region fundamentally different from the bulk crystal in terms of its diffusion properties. Extensive indirect evidence suggests that, in fact, the near-surface region of carefully prepared samples is no different from the bulk crystal in terms of its diffusion properties. A direct confirmation of this conclusion is nevertheless clearly important. Here we use transmission electron microscopy to confirm that the near-surface regions of olivine, quartz and feldspar crystals prepared using careful polishing protocols contain no features that could plausibly affect diffusion. This finding does not preclude damage to the mineral structure from other techniques used in diffusion studies (e.g., ion implantation), but even in this case the role of possible structural damage can be objectively assessed and controlled. While all evidence points to the reliability of diffusivities obtained from in-diffusion experiments, we do not recommend experiments of this type using a powder source as a means of obtaining diffusant solubility or partitioning information for the mineral of interest.

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

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.

On the calculation of turbulent heat transport downstream from an abrupt pipe expansion

NASA Technical Reports Server (NTRS)

Chieng, C. C.; Launder, B. E.

1980-01-01

A numerical study is reported of flow and heat transfer in the separated flow region created by an abrupt pipe expansion. Computations employed an adaptation of the TEACH-2E computer program with the standard model of turbulence. Emphasis is given to the simulation, from both a physical and numerical viewpoint, of the region in the immediate vicinity of the wall where turbulent transport gives way to molecular conduction and diffusion. Wall resistance laws or wall functions used to bridge this near-wall region are based on the idea that, beyond the viscous sublayer, the turbulent length scale is universal, increasing linearly with distance from the wall. Predictions of expermental data for a diameter ratio of 0.54 show generally encouraging agreement with experiment. At a diameter of 0.43 different trends are discernible between measurement and calculation though this appears to be due to effects unconnected with the wall region studied.

MR imaging of apparent 3He gas transport in narrow pipes and rodent airways

NASA Astrophysics Data System (ADS)

Minard, Kevin R.; Jacob, Richard E.; Laicher, Gernot; Einstein, Daniel R.; Kuprat, Andrew P.; Corley, Richard A.

2008-10-01

High sensitivity makes hyperpolarized 3He an attractive signal source for visualizing gas flow with magnetic resonance (MR) imaging. Its rapid Brownian motion, however, can blur observed flow lamina and alter measured diffusion rates when excited nuclei traverse shear-induced velocity gradients during data acquisition. Here, both effects are described analytically, and predicted values for measured transport during laminar flow through a straight, 3.2-mm diameter pipe are validated using two-dimensional (2D) constant-time images of different binary gas mixtures. Results show explicitly how measured transport in narrow conduits is characterized by apparent values that depend on underlying gas dynamics and imaging time. In ventilated rats, this is found to obscure acquired airflow images. Nevertheless, flow splitting at airway branches is still evident and use of 3D vector flow mapping is shown to reveal surprising detail that highlights the correlation between gas dynamics and lung structure.

Parametric study for use of stainless steel as a material for thermal shield in PIP2IT transferline at Fermilab

NASA Astrophysics Data System (ADS)

Rane, Tejas; Chakravarty, Anindya; Klebaner, Arkadiy

2017-12-01

Transferline thermal shields are cooled by dedicated cooling lines welded/brazed to the shield at a single point along the circumference. Copper/Aluminium is widely used to fabricate thermal shields because of their higher thermal diffusivity. This causes uniformity of temperature along the surface of the shield thus reducing thermal stresses within allowable values. However, factors such as raw material price, the cost of fabrication depending on standard sizes of pipes/tubes, often drives up the final price of thermal shields. To reduce the cost by making use of easily available stock of standard pipe/tube, it is decided to use stainless steel as a material for thermal shields in the PIP2IT transferline. The present paper discusses the design approach, various factors affecting the conservative selection of thermal shield design.

Deformation-related microstructures in magmatic zircon and implications for diffusion

NASA Astrophysics Data System (ADS)

Reddy, Steven Michael; Timms, Nicholas E.; Hamilton, Patrick Joseph; Smyth, Helen R.

2009-02-01

An undeformed glomeroporphyritic andesite from the Sunda Arc of Java, Indonesia, contains zoned plagioclase and amphibole glomerocrysts in a fine-grained groundmass and records a complex history of adcumulate formation and subsequent magmatic disaggregation. A suite of xenocrystic zircon records Proterozoic and Archaean dates whilst a discrete population of zoned, euhedral, igneous zircon yields a SHRIMP U-Pb crystallisation age of 9.3 ± 0.2 Ma. Quantitative microstructural analysis of zircon by electron backscatter diffraction (EBSD) shows no deformation in the inherited xenocrysts, but intragrain orientation variations of up to 30° in 80% of the young zircon population. These variations are typically accommodated by both progressive crystallographic bending and discrete low angle boundaries that overprint compositional growth zoning. Dispersion of crystallographic orientations are dominantly by rotation about an axis parallel to the zircon c-axis [001], which is coincident with the dominant orientation of misorientation axes of adjacent analysis points in EBSD maps. Less common <100> misorientation axes account for minor components of crystallographic dispersion. These observations are consistent with zircon deformation by dislocation creep and the formation of tilt and twist boundaries associated with the operation of <001>{100} and <100>{010} slip systems. The restriction of deformation microstructures to large glomerocrysts and the young magmatic zircon population, and the absence of deformation within the host igneous rock and inherited zircon grains, indicate that zircon deformation took place within a low-melt fraction (<5% melt), mid-lower crustal cumulate prior to fragmentation during magmatic disaggregation and entrainment of xenocrystic zircons during magmatic decompression. Tectonic stresses within the compressional Sunda Arc at the time of magmatism are considered to be the probable driver for low-strain deformation of the cumulate in the late stages of initial crystallisation. These results provide the first evidence of crystal plastic dislocation creep in zircon associated with magmatic crystallisation and indicate that the development of crystal-plastic microstructures in zircon is not restricted to high-strain rocks. Such microstructures have previously been shown to enhance bulk diffusion of trace elements (U, Th and REE) in zircon. The development of deformation microstructures, and therefore multiple diffusion pathways in zircon in the magmatic environment, has significant implications for the interpretation of geochemical data from igneous zircon and the trace element budgets of melts due to the potential enhancement of bulk diffusion and dissolution rates.

Effects of grain size evolution on mantle dynamics

NASA Astrophysics Data System (ADS)

Schulz, Falko; Tosi, Nicola; Plesa, Ana-Catalina; Breuer, Doris

2016-04-01

The rheology of planetary mantle materials is strongly dependent on temperature, pressure, strain-rate, and grain size. In particular, the rheology of olivine, the most abundant mineral of the Earth's upper mantle, has been extensively studied in the laboratory (e.g., Karato and Wu, 1993; Hirth and Kohlstedt, 2003). Two main mechanisms control olivine's deformation: dislocation and diffusion creep. While the former implies a power-law dependence of the viscosity on the strain-rate that leads to a non-Newtonian behaviour, the latter is sensitively dependent on the grain size. The dynamics of planetary interiors is locally controlled by the deformation mechanism that delivers the lowest viscosity. Models of the dynamics and evolution of planetary mantles should thus be capable to self-consistently distinguish which of the two mechanisms dominates at given conditions of temperature, pressure, strain-rate and grain size. As the grain size can affect the viscosity associated with diffusion creep by several orders of magnitude, it can strongly influence the dominant deformation mechanism. The vast majority of numerical, global-scale models of mantle convection, however, are based on the use of a linear diffusion-creep rheology with constant grain-size. Nevertheless, in recent studies, a new equation has been proposed to properly model the time-dependent evolution of the grain size (Austin and Evens, 2007; Rozel et al., 2010). We implemented this equation in our mantle convection code Gaia (Hüttig et al., 2013). In the framework of simple models of stagnant lid convection, we compared simulations based on the fully time-dependent equation of grain-size evolution with simulations based on its steady-state version. In addition, we tested a number of different parameters in order to identify those that affects the grain size to the first order and, in turn, control the conditions at which mantle deformation is dominated by diffusion or dislocation creep. References Austin, N. J. and Evans, B. (2007). Geology, 35(4):343. Hirth, G. and Kohlstedt, D. (2003). Geophysical Monograph Series, page 83105. Hüttig, C., Tosi, N., and Moore, W. B. (2013). Physics of the Earth and Planetary Interiors, 220:11-18. Karato, S.-i. and Wu, P. (1993). Science, 260(5109):771778. Rozel, A., Ricard, Y., and Bercovici, D. (2010). Geophysical Journal International, 184(2):719728.

Extended Generation Profile - E.B.I.C. Model

NASA Astrophysics Data System (ADS)

Guermazi, S.; Toureille, A.; Grill, C.; El Jani, B.; Lakhoua, N.

1996-04-01

We have developed a model for the calculation of the induced current due to an electron beam with an extended profile. As well as the number of absorbed and diffuse electrons as a function of the depth, the generation profile takes into account the lateral diffusion and the effect of defects, dislocations and recombination surfaces. The expression from the Electron Beam Induced Current (EBIC) is obtained by solving the continuity equation in permanent regime by the Green function method. In the case of a Schottky diode Au/InP, obtained by ionic scattering followed by a quick thermal treatment, the induced current profile is compared to the theoretical profiles whose analytical expressions are given by Van Roosbroeck and Bresse. The experimental current profile, measured by S.E.M provided us with the calculation of the diffusion length of the minority carriers, L_n=1 μm. The theoretical curve obtained from the proposed model is in good agreement with the experimental one for a surface recombination velocity of 104 cm s^{-1}. Our results are found to be consistent with those obtained by other experimental techniques on the same samples. Nous avons développé un modèle de calcul du courant induit par un faisceau d'électrons avec un profil de génération élargi. Le profil de génération tient compte, en plus du nombre d'électrons absorbés et du nombre d'électrons diffusés en fonction de la profondeur, de la diffusion latérale (en prenant en considération la diffusion angulaire), de l'effet des défauts, des dislocations et de la recombinaison à la surface. L'expression analytique du courant induit E.B.I.C est déterminée par résolution de l'équation de continuité en régime permanent par la méthode des fonctions de Green. Le profil de courant induit obtenu dans le cas d'une diode Schottky Au/InP dopé p et fabriqué par implantation suivit d'un recuit, est comparé au profil de courant théorique dont l'expression analytique est explicité par Van Roosbroeck et Bresse. Le profil de courant expérimental, mesuré par un microscope électronique à balayage, nous a permis de calculer la longueur de diffusion des porteurs minoritaires L_n=1 μm. La courbe théorique, tracée à partir du modèle proposé, est en bon accord avec la courbe expérimental pour une vitesse de recombinaison à la surface de 104 cm s^{-1}. Ces résultats sont conformes avec ceux obtenus par d'autres techniques expérimentales sur les mêmes échantillons.

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.

Deformation Microstructures of the Yugu Peridotites in the Gyeonggi Massif, Korea: Implications for Olivine Fabric Transition in Mantle Shear Zones

NASA Astrophysics Data System (ADS)

Jung, H.; Park, M.

2017-12-01

Large-scale emplaced peridotite bodies may provide insights into plastic deformation process and tectonic evolution in the mantle shear zone. Due to the complexity of deformation microstructures and processes in natural mantle rocks, the evolution of pre-existing olivine fabrics is still not well understood. In this study, we examine well-preserved transitional characteristics of microstructures and olivine fabrics developed in a mantle shear zone from the Yugu peridotite body, the Gyeonggi Massif, Korean Peninsula. The Yugu peridotite body predominantly comprises spinel harzburgite together with minor lherzolite, dunite, and clinopyroxenite. We classified highly deformed peridotites into four textural types based on their microstructural characteristics: proto-mylonite; proto-mylonite to mylonite transition; mylonite; and ultra-mylonite. Olivine fabrics changed from A-type (proto-mylonite) via D-type (mylonite) to E-type (ultra-mylonite). Olivine fabric transition is interpreted as occurring under hydrous conditions at low temperature and high strain, because of characteristics such as Ti-clinohumite defects (and serpentine) and fluid inclusion trails in olivine, and a hydrous mineral (pargasite) in the matrix, especially in the ultra-mylonitic peridotites. Even though the ultra-mylonitic peridotites contained extremely small (24-30 μm) olivine neoblasts, the olivine fabrics showed a distinct (E-type) pattern rather than a random one. Analysis of the lattice preferred orientation strength, dislocation microstructures, recrystallized grain-size, and deformation mechanism maps of olivine suggest that the proto-mylonitic, mylonitic, and ultra-mylonitic peridotites were deformed by dislocation creep (A-type), DisGBS (D-type), and combination of dislocation and diffusion creep (E-type), respectively.

Disclinations, dislocations, and continuous defects: A reappraisal

NASA Astrophysics Data System (ADS)

Kleman, M.; Friedel, J.

2008-01-01

Disclinations were first observed in mesomorphic phases. They were later found relevant to a number of ill-ordered condensed-matter media involving continuous symmetries or frustrated order. Disclinations also appear in polycrystals at the edges of grain boundaries; but they are of limited interest in solid single crystals, where they can move only by diffusion climb and, owing to their large elastic stresses, mostly appear in close pairs of opposite signs. The relaxation mechanisms associated with a disclination in its creation, motion, and change of shape involve an interplay with continuous or quantized dislocations and/or continuous disclinations. These are attached to the disclinations or are akin to Nye’s dislocation densities, which are particularly well suited for consideration here. The notion of an extended Volterra process is introduced, which takes these relaxation processes into account and covers different situations where this interplay takes place. These concepts are illustrated by a variety of applications in amorphous solids, mesomorphic phases, and frustrated media in their curved habit space. These often involve disclination networks with specific node conditions. The powerful topological theory of line defects considers only defects stable against any change of boundary conditions or relaxation processes compatible with the structure considered. It can be seen as a simplified case of the approach considered here, particularly suited for media of high plasticity or/and complex structures. It cannot analyze the dynamical properties of defects nor the elastic constants involved in their static properties; topological stability cannot guarantee energetic stability, and sometimes cannot distinguish finer details of the structure of defects.

Rheological stratification of the Hormuz Salt Formation in Iran - microstructural study of the dirty and pure rock salts from the Kuh-e-Namak (Dashti) salt diapir

NASA Astrophysics Data System (ADS)

Závada, Prokop; Desbois, Guillaume; Urai, Janos; Schulmann, Karel; Rahmati, Mahmoud; Lexa, Ondrej; Wollenberg, Uwe

2014-05-01

Significant viscosity contrasts displayed in flow structures of a mountain namakier (Kuh-e-Namak - Dashti), between 'weak' terrestrial debris bearing rock salt types and 'strong' pure rock salt types are questioned for deformation mechanisms using detailed quantitative microstructural study including crystallographic preferred orientation (CPO) mapping of halite grains. While the solid impurity rich ("dirty") rock salts contain disaggregated siltstone and dolomite interlayers, "clean" salts (debris free) reveal microscopic hematite and remnants of abundant fluid inclusions in non-recrystallized cores of porphyroclasts. Although flow in both, the recrystallized dirty and clean salt types is accommodated by combined mechanisms of pressure-solution creep (PS), grain boundary sliding (GBS) and dislocation creep accommodated grain boundary migration (GBM), their viscosity contrasts are explained by significantly slower rates of intergranular diffusion and piling up of dislocations at hematite inclusions in clean salt types. Porphyroclasts of clean salts deform by semi-brittle and plastic mechanisms with intra-crystalline damage being induced also by fluid inclusions that explode in the crystals at high fluid pressures. Boudins of clean salt types with coarse grained and original sedimentary microstructure suggest that clean rock salts are associated with dislocation creep dominated power law flow in the source layer and the diapiric stem. Rheological contrasts between both rock salt classes apply in general for the variegated and terrestrial debris rich ("dirty") Lower Hormuz and the "clean" rock salt forming the Upper Hormuz, respectively, and suggest that large strain rate gradients likely exist along horizons of mobilized salt types of different composition and microstructure.

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.

Interfacial dislocations in (111) oriented (Ba 0.7Sr 0.3)TiO 3 films on SrTiO 3 single crystal

DOE PAGES

Shen, Xuan; Yamada, Tomoaki; Lin, Ruoqian; ...

2015-10-08

In this study, we have investigated the interfacial structure of epitaxial (Ba,Sr)TiO 3 films grown on (111)-oriented SrTiO 3 single-crystal substrates using transmission electron microscopy (TEM) techniques. Compared with the (100) epitaxial perovskite films, we observe dominant dislocation half-loop with Burgers vectors of a<110> comprised of a misfit dislocation along <112>, and threading dislocations along <110> or <100>. The misfit dislocation with Burgers vector of a <110> can dissociate into two ½ a <110> partial dislocations and one stacking fault. We found the dislocation reactions occur not only between misfit dislocations, but also between threading dislocations. Via three-dimensional electron tomography,more » we retrieved the configurations of the threading dislocation reactions. The reactions between threading dislocations lead to a more efficient strain relaxation than do the misfit dislocations alone in the near-interface region of the (111)-oriented (Ba 0.7Sr 0.3)TiO 3 films.« 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.

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

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.

A Study of the Drag Characteristics and Polymer Diffusion in the Boundary Layer of an Axisymmetric Body

DTIC Science & Technology

1976-03-12

Reduction in Pipe Flow at R =14xl03 (from Hoyt (1972)) Guar Gum Karaya Polyox WSR 301 400 850 10 Polyacrylamide, Polyhall-250 20 21 ■.I...shown to be effec- tive drag reducers. Polysaccharides ( Guar ), polyethylene oxide, polyacrylamides, and sodium carboxymethyl...sifting the premeasured polyox powder onto the surface of the carefully weighed water which was being slowly stirred by a magnetic mixing bar. After a

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.

Creep and microstructural processes in a low-alloy 2.25%Cr1.6%W steel (ASTM Grade 23)

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

Kucharova, K.; Sklenicka, V., E-mail: sklen@ipm.cz; CEITEC — IPM, Institute of Physics of Materials, Academy of Sciences of the Czech Republic, CZ-616 62 Brno

2015-11-15

A low-alloy 2.25%Cr1%Mo steel (ASTM Grade 22) has been greatly improved by the substitution of almost all of the 1%Mo by 1.6%W. The improved material has been standardized as P/T23 steel (Fe–2.25Cr–1.6W–0.25V–0.05Nb–0.07C). The present investigation was conducted on T23 steel in an effort to obtain a more complete description and understanding of the role of the microstructural evolution and deformation processes in high-temperature creep. Constant load tensile creep tests were carried out in an argon atmosphere in the temperature range 500–650 °C at stresses ranging from 50 to 400 MPa. It was found that the diffusion in the matrix latticemore » is the creep-rate controlling process. The results of an extensive transmission electron microscopy (TEM) analysis programme to investigate microstructure evolution as a function of temperature are described and compared with the thermodynamic calculations using the software package Thermo-Calc. The significant creep-strength drop of T23 steel after long-term creep exposures can be explained by the decrease in dislocation hardening, precipitation hardening and solid solution hardening due to the instability of the microstructure at high temperature. - Highlights: • The constant load creep tests of T23 steel were carried out at 500–650 °C. • The stress exponents of the creep rate correspond to power law (dislocation) creep. • Diffusion in the matrix lattice is the creep-rate controlling process. • The microstructure instability is the main creep degradation process in T23 steel.« less

Coupled gamma/alpha phase transformations in low-carbon steels

NASA Astrophysics Data System (ADS)

Mizutani, Yasushi

Since steels have been the most prevalently utilized materials for many years, the desire for steels with low alloying components with a well-balanced combination of high strength and toughness is increasing. Low carbon steels consisting of bainitic microstructures are ideally suited to meeting such technological and economic requirements. Thus it is extremely important to fully clarify the mechanism of bainite formation in order to produce this type of engineering steel by optimized alloy and process design. This research focuses on understanding the mechanism of coupled displacive/diffusional gamma/alpha transformation in low-carbon steels including bainitic and martensitic transformation, and establishing a more comprehensive and physically rational computational model for predictive control of coupled gamma/alpha transformation phenomena. Models for coupled gamma/alpha phase transformation proposed in this study are based on a mechanistic and unified theory and the following assumptions: (1) The energy dissipation due to interface motion can be linearly combined with the energy dissipation due to carbon diffusion. (2) The carbon concentrations at the interface in both gamma and alpha phases are constrained by an interface solute trapping law. (3) Interface motion during nucleation is also governed by the carbon diffusion field velocity. (4) The response function of glissile interface motion can be expressed in the form of thermally activated dislocation glide. In contrast to the conventional semi-empirical models of the previous literature, the computational model proposed in this study is demonstrated to successfully provide a comprehensive and quantitative prediction of the effects of temperature, composition, microstructure, and the interactions among them. This includes the effects of substitutional solutes, morphology of the parent gamma phase, density of nucleation sites, temperature dependent variation of flow stress of matrix, and dynamic recovery of forest dislocations on the kinetics of coupled gamma/alpha phase transformation.

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.

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

Random walk on lattices: Graph-theoretic approach to simulating long-range diffusion-attachment growth models

NASA Astrophysics Data System (ADS)

Limkumnerd, Surachate

2014-03-01

Interest in thin-film fabrication for industrial applications have driven both theoretical and computational aspects of modeling its growth. One of the earliest attempts toward understanding the morphological structure of a film's surface is through a class of solid-on-solid limited-mobility growth models such as the Family, Wolf-Villain, or Das Sarma-Tamborenea models, which have produced fascinating surface roughening behaviors. These models, however, restrict the motion of an incidence atom to be within the neighborhood of its landing site, which renders them inept for simulating long-distance surface diffusion such as that observed in thin-film growth using a molecular-beam epitaxy technique. Naive extension of these models by repeatedly applying the local diffusion rules for each hop to simulate large diffusion length can be computationally very costly when certain statistical aspects are demanded. We present a graph-theoretic approach to simulating a long-range diffusion-attachment growth model. Using the Markovian assumption and given a local diffusion bias, we derive the transition probabilities for a random walker to traverse from one lattice site to the others after a large, possibly infinite, number of steps. Only computation with linear-time complexity is required for the surface morphology calculation without other probabilistic measures. The formalism is applied, as illustrations, to simulate surface growth on a two-dimensional flat substrate and around a screw dislocation under the modified Wolf-Villain diffusion rule. A rectangular spiral ridge is observed in the latter case with a smooth front feature similar to that obtained from simulations using the well-known multiple registration technique. An algorithm for computing the inverse of a class of substochastic matrices is derived as a corollary.

Study of the dislocation mechanism responsible for the Bordoni relaxation in aluminum by the two-wave acoustic coupling method

NASA Astrophysics Data System (ADS)

Bujard, M.; Gremaud, G.; Benoit, W.

1987-10-01

The most realistic model for the interpretation of the Bordoni relaxation observed by internal friction experiments is the mechanism of kink pair formation (KPF) on the dislocations. However, according to this model, high values of the critical resolved shear stress should also be measured at low temperature in face-centered-cubic (fcc) metals, but this has never been observed. Using the newly developed two-wave acoustic coupling method, we have studied the reality of the KPF model as an explanation for the Bordoni relaxation in aluminum. The results are in very good agreement with the predictions of the KPF model and thus confirm this model. On the other hand, experimental evidence that the kink mobility is very high in aluminum have been found. Therefore, the diffusion time of the kinks is negligibly small for the KPF process in fcc metals. Values of the internal stress field in cold-worked samples have also been obtained using the two-wave acoustic coupling approach. A description of the experimental method and the theoretical approach for the interpretation of the results will also be given in this paper.

Deformation in amorphous–crystalline nanolaminates—an effective-temperature theory and interaction between defects

DOE PAGES

Lieou, Charles K. C.; Mayeur, Jason R.; Beyerlein, Irene J.

2017-02-24

Experiments and atomic-scale simulations suggest that the transmission of plasticity carriers in deforming amorphous–crystalline nanolaminates is mediated by the biphase interface between the amorphous and crystalline layers. In this study, we present a micromechanics model for these biphase nanolaminates that describes defect interactions through the amorphous–crystalline interface (ACI). The model is based on an effective-temperature framework to achieve a unified description of the slow, configurational atomic rearrangements in both phases when driven out of equilibrium. We show how the second law of thermodynamics constrains the density of defects and the rate of configurational rearrangements, and apply this framework to dislocationsmore » in crystalline solids and shear transformation zones (STZs) in amorphous materials. The effective-temperature formulation enables us to interpret the observed movement of dislocations to the ACI and the production of STZs at the interface as a 'diffusion' of configurational disorder across the material. Finally, we demonstrate favorable agreement with experimental findings reported in (Kim et al 2011 Adv. Funct. Mater. 21 4550–4), and demonstrate how the ACI acts as a sink of dislocations and a source of STZs.« less

Expansion of Shockley stacking fault observed by scanning electron microscope and partial dislocation motion in 4H-SiC

NASA Astrophysics Data System (ADS)

Yamashita, Yoshifumi; Nakata, Ryu; Nishikawa, Takeshi; Hada, Masaki; Hayashi, Yasuhiko

2018-04-01

We studied the dynamics of the expansion of a Shockley-type stacking fault (SSF) with 30° Si(g) partial dislocations (PDs) using a scanning electron microscope. We observed SSFs as dark lines (DLs), which formed the contrast at the intersection between the surface and the SSF on the (0001) face inclined by 8° from the surface. We performed experiments at different electron-beam scanning speeds, observing magnifications, and irradiation areas. The results indicated that the elongation of a DL during one-frame scanning depended on the time for which the electron beam irradiated the PD segment in the frame of view. From these results, we derived a formula to express the velocity of the PD using the elongation rate of the corresponding DL during one-frame scanning. We also obtained the result that the elongation velocity of the DL was not influenced by changing the direction in which the electron beam irradiates the PD. From this result, we deduced that the geometrical kink motion of the PD was enhanced by diffusing carriers that were generated by the electron-beam irradiation.

Formation, Migration, and Reactivity of Au CO Complexes on Gold Surfaces

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

Wang, Jun; McEntee, Monica; Tang, Wenjie

2016-01-12

Here, we report experimental as well as theoretical evidence that suggests Au CO complex formation upon the exposure of CO to active sites (step edges and threading dislocations) on a Au(111) surface. Room-temperature scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy, transmission infrared spectroscopy, and density functional theory calculations point to Au CO complex formation and migration. Room-temperature STM of the Au(111) surface at CO pressures in the range from 10^ 8 to 10^ 4 Torr (dosage up to 10^6 langmuir) indicates Au atom extraction from dislocation sites of the herringbone reconstruction, mobile Au CO complex formation and diffusion, and Aumore » adatom cluster formation on both elbows and step edges on the Au surface. The formation and mobility of the Au CO complex result from the reduced Au Au bonding at elbows and step edges leading to stronger Au CO bonding and to the formation of a more positively charged CO (CO +) on Au. These studies indicate that the mobile Au CO complex is involved in the Au nanoparticle formation and reactivity, and that the positive charge on CO increases due to the stronger adsorption of CO at Au sites with lower coordination numbers.« less

Epitaxial GaN layers formed on langasite substrates by the plasma-assisted MBE method

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

Lobanov, D. N., E-mail: dima@ipmras.ru; Novikov, A. V.; Yunin, P. A.

2016-11-15

In this publication, the results of development of the technology of the epitaxial growth of GaN on single-crystal langasite substrates La{sub 3}Ga{sub 5}SiO{sub 14} (0001) by the plasma-assisted molecular-beam epitaxy (PA MBE) method are reported. An investigation of the effect of the growth temperature at the initial stage of deposition on the crystal quality and morphology of the obtained GaN layer is performed. It is demonstrated that the optimal temperature for deposition of the initial GaN layer onto the langasite substrate is about ~520°C. A decrease in the growth temperature to this value allows the suppression of oxygen diffusion frommore » langasite into the growing layer and a decrease in the dislocation density in the main GaN layer upon its subsequent high-temperature deposition (~700°C). Further lowering of the growth temperature of the nucleation layer leads to sharp degradation of the GaN/LGS layer crystal quality. As a result of the performed research, an epitaxial GaN/LGS layer with a dislocation density of ~10{sup 11} cm{sup –2} and low surface roughness (<2 nm) is obtained.« less

NEAMS-ATF M3 Milestone Report: Literature Review of Modeling of Radiation-Induced Swelling in Fe-Cr-Al Steels

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

Bai, Xianming; Biner, Suleyman Bulent; Jiang, Chao

2015-12-01

Fe-Cr-Al steels are proposed as accident-tolerant-fuel (ATF) cladding materials in light water reactors due to their excellent oxidation resistance at high temperatures. Currently, the understanding of their performance in reactor environment is still limited. In this review, firstly we reviewed the experimental studies of Fe-Cr-Al based alloys with particular focus on the radiation effects in these alloys. Although limited data are available in literature, several previous and recent experimental studies have shown that Fe-Cr-Al based alloys have very good void swelling resistance at low and moderate irradiation doses but the growth of dislocation loops is very active. Overall, the behaviormore » of radiation damage evolution is similar to that in Fe-Cr ferritic/martensitic alloys. Secondly, we reviewed the rate theory-based modeling methods for modeling the coevolution of voids and dislocation loops in materials under irradiation such as Frenkel pair three-dimensional diffusion model (FP3DM) and cluster dynamics. Finally, we summarized and discussed our review and proposed our future plans for modeling radiation damage in Fe-Cr-Al based alloys.« less

A preliminary investigation of high dose ion irradiation response of a lanthana-bearing nanostructured ferritic steel processed via spark plasma sintering

NASA Astrophysics Data System (ADS)

Pasebani, Somayeh; Charit, Indrajit; Guria, Ankan; Wu, Yaqiao; Burns, Jatuporn; Butt, Darryl P.; Cole, James I.; Shao, Lin

2017-11-01

A nanostructured ferritic steel with nominal composition of Fe-14Cr-1Ti-0.3Mo-0.5La2O3 (wt.%) was irradiated with Fe+2 ions at 475 °C for 100, 200, 300 and 400 dpa. Grain coarsening was observed for the samples irradiated for 200-400 dpa resulting in an increase of the average grain size from 152 nm to 620 nm. Growth of submicron grains at higher radiation doses is due to decreased pinning effect imparted by Cr-O rich nanoparticles (NPs) that underwent coarsening via Ostwald ripening. Dislocation density consistently increased with increasing irradiation dose at 300 and 400 dpa. The mean radius of lanthanum-containing nanoclusters (NCs) decreased and their number density increased above 200 dpa, which is likely due to solutes ejection caused by ballistic dissolution and irradiation-enhanced diffusion. Chromium, titanium, oxygen and lanthanum content of nanoclusters irradiated at 200 dpa and higher got reduced by almost half the initial value. The reduction in size of the nanoclusters accompanied with their higher number density and higher dislocation density led to significant radiation hardening with increasing irradiation dose.

The effect of alloy composition on the mechanism of stress-corrosion cracking of titanium alloys in aqueous environments

NASA Technical Reports Server (NTRS)

Wood, R. A.; Boyd, J. D.; Williams, D. N.; Jaffee, R. I.

1972-01-01

A detailed study was made of the relation between the size distribution of Ti3Al particles in a Ti-8Al alloy and the tensile properties measured in air and in saltwater. The size distribution of Ti3Al was varied by isothermal aging for various times at temperatures in the range 770 to 970 K (930 to 1290 F). The aging kinetics were found to be relatively slow. Quantitative measurements of the particle coarsening rate at 920 K (1200 F) showed good agreement with the predicted behavior for coarsening controlled by matrix diffusion, and suggested that the specific free energy of the Ti3Al alpha interface in negligible small. In all cases, the Ti3Al particles were sheared by the glide dislocations. It was concluded that there is a definite correlation between the presence of deformable Ti3Al particles and an alloy's susceptibility to aqueous stress corrosion cracking. Furthermore, the appearance of the surface slip lines and the dislocation substructure in deformed specimens suggest that the specific effect of the Ti3Al particles is to cause a nonhomogeneous planar slip character and an enhanced chemical potential of the slip bands.

Study on the Tensile Creep Behavior of Carbon Nanotubes-Reinforced Sn-58Bi Solder Joints

NASA Astrophysics Data System (ADS)

Yang, Li; Liu, Haixiang; Zhang, Yaocheng

2018-01-01

The microstructure and tensile creep behavior of plain Sn-58Bi solder and carbon nanotubes (CNTs)-reinforced composite solder joints were investigated. The stress exponent n under different stresses and the creep activation energy Q c under different temperatures of solder joints were obtained by an empirical equation. The results reveal that the microstructure of the composite solder joint is refined and the tensile creep resistance is improved by CNTs. The improvement of creep behavior is due to the microstructural change of the composite solder joints, since the CNTs could provide more obstacles for dislocation pile-up, which enhances the values of the stress exponent and the creep activation energy. The steady-state tensile creep rates of plain solder and composite solder joints are increased with increasing temperature and applied stress. The tensile creep constitutive equations of plain solder and composite solder joints are written as \\dot{ɛ }_{s1} = 14.94( {σ /G} )^{3.7} \\exp ( { - 81444/RT} ) and \\dot{ɛ }_{s2} = 2.5( {σ /G} )^{4.38} \\exp ( { - 101582/RT} ) , respectively. The tensile creep mechanism of the solder joints is the effects of lattice diffusion determined by dislocation climbing.

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

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

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.

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

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

Percolation connectivity, pore size, and gas apparent permeability: Network simulations and comparison to experimental data

NASA Astrophysics Data System (ADS)

Li, M.; Tang, Y. B.; Bernabé, Y.; Zhao, J. Z.; Li, X. F.; Li, T.

2017-07-01

We modeled single-phase gas flow through porous media using percolation networks. Gas permeability is different from liquid permeability. The latter is only related to the geometry and topology of the pore space, while the former depends on the specific gas considered and varies with gas pressure. As gas pressure decreases, four flow regimes can be distinguished as viscous flow, slip flow, transition flow, and free molecular diffusion. Here we use a published conductance model presumably capable of predicting the flow rate of an arbitrary gas through a cylindrical pipe in the four regimes. We incorporated this model into pipe network simulations. We considered 3-D simple cubic, body-centered cubic, and face-centered cubic lattices, in which we varied the pipe radius distribution and the bond coordination number. Gas flow was simulated at different gas pressures. The simulation results showed that the gas apparent permeability kapp obeys an identical scaling law in all three lattices, kapp (z-zc)β, where the exponent β depends on the width of the pipe radius distribution, z is the mean coordination number, and zc its critical value at the percolation threshold. Surprisingly, (z-zc) had a very weak effect on the ratio of the apparent gas permeability to the absolute liquid permeability, kapp/kabs, suggesting that the Klinkenberg gas slippage correction factor is nearly independent of connectivity. We constructed models of kapp and kapp/kabs based on the observed power law and tested them by comparison with published experimental data on glass beads and other materials.

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

Coiled Tube Gas Heaters For Nuclear Gas-Brayton Power Conversion

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

Peterson, Per F.

This project developed an alternative design for heat exchangers for application to heating supercritical carbon dioxide (S-CO 2) or air for power conversion. We have identified an annular coiled tube bundle configuration–where hot sodium enters tubes from multiple vertical inlet manifold pipes, flows in a spiral pattern radially inward and downward, and then exits into an equal number of vertical outlet manifold pipes–as a potentially attractive option. The S-CO 2 gas or air flows radially outward through the tube bundle. Coiled tube gas heaters (CTGHs) are expected to have excellent thermal shock, long-term thermal creep, in-service inspection, and reparability characteristics,more » compared to alternative options. CTGHs have significant commonality with modern nuclear steam generators. Extensive experience exists with the design, manufacture, operation, in-service inspection and maintenance of nuclear steam generators. The U.S. Nuclear Regulatory Commission also has extensive experience with regulatory guidance documented in NUREG 0800. CTGHs leverage this experience and manufacturing capability. The most important difference between steam generators and gas-Brayton cycles such as the S-CO 2 cycle is that the heat exchangers must operate with counter flow with high effectiveness to minimize the pinch-point temperature difference between the hot liquid coolant and the heated gas. S-CO 2-cycle gas heaters also operate at sufficiently elevated temperatures that time dependent creep is important and allowable stresses are relatively low. Designing heat exchangers to operate in this regime requires configurations that minimize stresses and stress concentrations. The cylindrical tubes and cylindrical manifold pipes used in CTGHs are particularly effective geometries. The first major goal of this research project was to develop and experimentally validate a detailed, 3-D multi-phase (gas-solid-liquid) heat transport model for CTGHs, using methods similar to earlier UCB multi-scale models for PCHEs, which will enable optimization of CTGH designs with respect to the number of manifold pipes, S-CO 2 and sodium circulating power, and other design parameters. CTGHs are relatively novel because the tubes loaded in compression as well as the manifold pipes which form the tube sheets. The second major goal of the experimental and modeling effort was to optimize the assembly and heat treatment of the tube-to-tubesheet joints, using a novel tapered joint configuration, and to develop diffusion-bonded joints with high shear strength and creep resistance, as has been done in other applications for tapered plugs. The project would also conduct creep testing of these tubesheet joints in pressurized furnaces under prototypical conditions of stress and temperature, however this was not feasible due to numerous hinderances. Detailed microstructural investigations was conducted on the diffusion bond interface, while the bond strength was evaluated by tensile testing. The mechanical testing quantified the overall strength of the bond and measured the pull out force as well as long term behavior, which complemented the microstructural analysis and gave a complete understanding of the diffusion bond.« 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.

Electrically Conductive Porous Membrane

NASA Technical Reports Server (NTRS)

Burke, Kenneth Alan (Inventor)

2014-01-01

The present invention relates to an electrically conductive membrane that can be configured to be used in fuel cell systems to act as a hydrophilic water separator internal to the fuel cell, or as a water separator used with water vapor fed electrolysis cells, or as a water separator used with water vapor fed electrolysis cells, or as a capillary structure in a thin head pipe evaporator, or as a hydrophobic gas diffusion layer covering the fuel cell electrode surface in a fuel cell.

The creep properties of dispersion-strengthened silver-gallium oxide alloys.

NASA Technical Reports Server (NTRS)

Lenel, F. V.; Ansell, G. S.; Nazmy, M. Y.

1971-01-01

Steady-state creep rates were measured for two preparations of a dispersion-strengthened alloy of silver with 1 mol % gallium oxide. One preparation, an internally-oxidized type, had a grain size 40 times that of the other preparation, which was a consolidated-powder type of alloy. The temperature and stress dependence of the steady-state creep rate differs widely for the two alloys and must be attributed to the difference in grain size. The activation energy for steady-state creep of the internally-oxidized coarse grained material is near that for self-diffusion of silver, which strongly indicates a creep process controlled by dislocation climb.

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.

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

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.

Strain rate dependent calcite microfabric evolution at natural conditions

NASA Astrophysics Data System (ADS)

Rogowitz, Anna; Grasemann, Bernhard; Huet, Benjamin; Habler, Gerlinde

2014-05-01

Crystal plastic deformational behaviour of calcite has been the focus of many experimental studies. Different strain rates, pressure and temperature conditions have been addressed to investigate a wide range of deformation regimes. However, a direct comparison with natural fault rocks remains difficult because of extreme differences between experimental and natural strain rates. A flanking structure developed in almost pure calcite marble on Syros (Cyclades, Greece). Due to rotation of a planar feature (crack) a heterogeneous strain field in the surrounding area occurred resulting in different strain domains and the formation of the flanking structure. Assuming that deformation was active continuously during the development of the flanking structure, the different strain domains correspond to different strain-rate domains. The outcrop thus represents the final state of a natural experiment and gives us a great opportunity to get natural constraints on strain rate dependent deformation behaviour of calcite. Comparing the microfabrics in the 1 to 2.5 cm thick shear zone and the surrounding host rocks, which formed under the same metamorphic conditions but with different strain rates, is the central focus of this study. Due to the extreme variation in strain and strain rate, different microstructures and textures can be observed corresponding to different deformation mechanisms. With increasing strain rate we observe a change in dominant deformation mechanism from dislocation glide to dislocation creep and finally diffusion creep. Additionally, a change from subgrain rotation to bulging recrystallization can be observed in the dislocation creep regime. Crystallographic preferred orientations (CPO) and the grade of intracrystalline deformation were measured on a FEI Quanta 3D FEG instrument equipped with an EDAX Digiview IV EBSD camera. At all strain rates clear CPOs developed leading to the assumption that calcite preferentially deforms within the dislocation creep field. However, we can also find clear evidence for grain size sensitive deformation mechanisms at smaller grain sizes (3.6 μm) consistent with experimental observations and determined flaw laws. The results of this study are compared with experimental data, closing the gap between experimental and natural geological strain rates.

Outcomes of dual-mobility acetabular cup for instability in primary and revision total hip arthroplasty.

PubMed

Mohammed, Riazuddin; Hayward, Keith; Mulay, Sanjay; Bindi, Frank; Wallace, Murray

2015-03-01

The concept of a dual-mobility hip socket involves the standard femoral head component encased in a larger polyethylene liner, which in turn articulates inside a metal shell implanted in the native acetabulum. The aim of this study was to assess outcomes from using a Serf Novae(®) Dual Mobility Acetabular cup (Orthodynamics Ltd, Gloucestershire, UK) to address the problem of instability in primary and revision total hip arthroplasty (THA). A retrospective review was carried out of all hip arthroplasties performed in a District General Hospital utilising the dual-mobility socket from January 2007 to December 2012. Clinical and radiological outcomes were analysed for 44 hips in 41 patients, comprising 20 primary and 24 revision THA. The average age of the study group was 70.8 years (range 56-84 years) for primary and 76.4 years (range 56-89 years) for revision arthroplasty. Among the primary THA, always performed for hip osteoarthritis or in presence of osteoarthritic changes, the reasons to choose a dual mobility cup were central nervous system problems such as Parkinson's disease, stroke, dementia (10), hip fracture (5), failed hip fracture fixation (2), severe fixed hip deformity (2) and diffuse peripheral neuropathy (1). The indications for revisions were recurrent dislocation (17), aseptic loosening with abductor deficiency (4), failed hemiarthroplasty with abductor deficiency (2) and neglected dislocation (1). At a mean follow-up of 22 months (range 6-63 months), none of the hips had any dislocation, instability or infection and no further surgical intervention was required. Radiological assessment showed that one uncemented socket in a revision arthroplasty performed for recurrent dislocation had changed position, but was stable in the new position. The patient did not have complications from this and did not need any surgical intervention. Even though postoperative hip stability depends on several factors other than design-related ones, our study shows promising early results for reducing the risk of instability in this challenging group of patients undergoing primary and revision hip arthroplasty. IV.

Mineral Replacement Reactions as a Precursor to Strain Localisation: an (HR-)EBSD approach

NASA Astrophysics Data System (ADS)

Gardner, J.; Wheeler, J.; Wallis, D.; Hansen, L. N.; Mariani, E.

2017-12-01

Much remains to be learned about the links between metamorphism and deformation. Our work investigates the behaviour of fluid-mediated mineral replacement reaction products when exposed to subsequent shear stresses. We focus on albite from a metagabbro that has experienced metamorphism and subsequent deformation at greenschist facies, resulting in a reduction in grain size and associated strain localisation. EBSD maps show that prior to grain size reduction, product grains are highly distorted, yet they formed, and subsequently deformed, at temperatures at which extensive dislocation creep is unlikely. The Weighted Burgers Vector can be used to quantitatively describe the types of Burgers vectors present in geometrically necessary dislocation (GND) populations derived from 2-D EBSD map data. Application of this technique to the distorted product grains reveals the prominence of, among others, dislocations with apparent [010] Burgers vectors. This supports (with some caveats) the idea that dislocation creep is not responsible for the observed lattice distortion, as there are no known slip systems in plagioclase with a [010] Burgers vector. Distortion in a replacement microstructure has also been attributed to the presence of nanoscale product grains, which share very similar, but not identical, orientations due to topotactic nucleation from adjacent sites on the same substrate. As a precipitate, the product grains should be expected to be largely free of elastic strain. However, high angular resolution EBSD results demonstrate that product grains contain both elastic strains (> 10-3) and residual stresses (several hundred MPa), as well as GND densities on the order of 1014-1015 m-2. Thus we suggest the observed distortion (elastic strain plus rotations) in the lattice is produced during the mineral replacement reaction by a lattice mismatch and volume change between parent and product. Stored strain energy then provides a driving force for recovery and recrystallization. Recrystallization produces smaller grains with high angle boundaries, reducing the strength of, and allowing deformation to localise in, the albite phase. Grain size reduction in turn facilitates shear deformation to high strains by a grain size sensitive mechanism (fluid-assisted diffusion creep).

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.

Understanding thermally activated plastic deformation behavior of Zircaloy-4

NASA Astrophysics Data System (ADS)

Kumar, N.; Alomari, A.; Murty, K. L.

2018-06-01

Understanding micromechanics of plastic deformation of existing materials is essential for improving their properties further and/or developing advanced materials for much more severe load bearing applications. The objective of the present work was to understand micromechanics of plastic deformation of Zircaloy-4, a zirconium-based alloy used as fuel cladding and channel (in BWRs) material in nuclear reactors. The Zircaloy-4 in recrystallized (at 973 K for 4 h) condition was subjected to uniaxial tensile testing at a constant cross-head velocity at temperatures in the range 293 K-1073 K and repeated stress relaxation tests at 293 K, 573 K, and 773 K. The minimum in the total elongation was indicative of dynamic strain aging phenomenon in this alloy in the intermediate temperature regime. The yield stress of the alloy was separated into effective and athermal components and the transition from thermally activated dislocation glide to athermal regime took place at around 673 K with the athermal stress estimated to be 115 MPa. The activation volume was found to be in the range of 40 b3 to 160 b3. The activation volume values and the data analyses using the solid-solution models in literature indicated dislocation-solute interaction to be a potential deformation mechanism in thermally activated regime. The activation energy calculated at 573 K was very close to that found for diffusivity of oxygen in α-Zr that was suggestive of dislocations-oxygen interaction during plastic deformation. This type of information may be helpful in alloy design in selecting different elements to control the deformation behavior of the material and impart desired mechanical properties in those materials for specific applications.

Subgrain boundary analyses in deformed orthopyroxene by TEM/STEM with EBSD-FIB sample preparation technique

NASA Astrophysics Data System (ADS)

Kogure, Toshihiro; Raimbourg, Hugues; Kumamoto, Akihito; Fujii, Eiko; Ikuhara, Yuichi

2014-12-01

High-resolution structure analyses using electron beam techniques have been performed for the investigation of subgrain boundaries (SGBs) in deformed orthopyroxene (Opx) in mylonite from Hidaka Metamorphic Belt, Hokkaido, Japan, to understand ductile deformation mechanism of silicate minerals in shear zones. Scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) analysis of Opx porphyroclasts in the mylonitic rock indicated that the crystal orientation inside the Opx crystals gradually changes by rotation about the b-axis by SGBs and crystal folding. In order to observe the SGBs along the b-axis by transmission electron microscopy (TEM) or scanning TEM (STEM), the following sample preparation protocol was adopted. First, petrographic thin sections were slightly etched with hydrofluoric acid to identify SGBs in SEM. The Opx crystals whose b-axes were oriented close to the normal of the surface were identified by EBSD, and the areas containing SGBs were picked and thinned for (S) TEM analysis with a focused ion beam instrument with micro-sampling system. High-resolution TEM imaging of the SGBs in Opx revealed various boundary structures from a periodic array of dissociated (100) [001] edge dislocations to partially or completely incoherent crystals, depending on the misorientation angle. Atomic-resolution STEM imaging clearly confirmed the formation of clinopyroxene (Cpx) structure between the dissociated partial dislocations. Moreover, X-ray microanalysis in STEM revealed that the Cpx contains a considerable amount of calcium replacing iron. Such chemical inhomogeneity may limit glide motion of the dislocation and eventually the plastic deformation of the Opx porphyroclasts at a low temperature. Chemical profiles across the high-angle incoherent SGB also showed an enrichment of the latter in calcium at the boundary, suggesting that SGBs are an efficient diffusion pathway of calcium out of host Opx grain during cooling.

FTIR measurements of OH in deformed quartz and feldspars of the South Tibetan Detachment, Greater Himalaya

NASA Astrophysics Data System (ADS)

Jezek, L.; Law, R. D.; Jessup, M. J.; Searle, M. P.; Kronenberg, A. K.

2017-12-01

OH absorption bands due to water in deformed quartz and feldspar grains of mylonites from the low-angle Lhotse Detachment (of the South Tibetan Detachment System, Rongbuk Valley north of Mount Everest) have been measured by Fourier Transform Infrared (FTIR) Spectroscopy. Previous microstructural studies have shown that these rocks deformed by dislocation creep at high temperature conditions in the middle crust (lower - middle amphibolite facies), and oxygen isotope studies suggest significant influx of meteoric water. OH absorption bands at 3400 cm-1 of quartz mylonites from the footwall of the Lhotse Detachment Fault are large, with the character of the molecular water band due to fluid inclusions in milky quartz. Mean water contents depend on structural position relative to the core of the Lhotse Detachment, from 1000 ppm (OH/106 Si) at 420 m below the fault to 11,350 (+/-1095) ppm near its center. The gradient in OH content shown by quartz grains implies influx of meteoric water along the Lhotse Detachment from the Tibetan Plateau ground surface to middle crustal depths, and significant fluid penetration into the extruding Himalayan slab by intergranular, permeable fluid flow processes. Feldspars of individual samples have comparable water contents to those of quartz and some are wetter. Large water contents of quartz and feldspar may have contributed to continued deformation and strain localization on the South Tibetan Detachment System. Dislocation creep in quartz is facilitated by water in laboratory experiments, and the water contents of the Lhotse fault rocks are similar to (and even larger than) water contents of quartz experimentally deformed during water weakening. Water contents of feldspars are comparable to those of plagioclase aggregates deformed experimentally by dislocation and diffusion creep under wet conditions.

Evolution of the Deformation Behavior of Sn-Rich Solders during Cyclic Fatigue

NASA Astrophysics Data System (ADS)

Wentlent, Luke Arthur

Continuous developments in the electronics industry have provided a critical need for a quantitative, fundamental understanding of the behavior of SnAgCu (SAC) solders in both isothermal and thermal fatigue conditions. This study examines the damage behavior of Sn-based solders in a constant amplitude and variable amplitude environment. In addition, damage properties are correlated with crystal orientation and slip behavior. Select solder joints were continuously characterized and tested repeatedly in order to eliminate the joint to joint variation due to the anisotropy of beta-Sn. Characterization was partitioned into three different categories: effective properties and slip behavior, creep mechanisms and crystal morphology development, and atomic behavior and evolution. Active slip systems were correlated with measured properties. Characterization of the mechanical behavior was performed by the calculation and extrapolation of the elastic modulus, work, effective stiffness, Schmid factors, and time-dependent plasticity (creep). Electron microscopy based characterization methods included Scanning Electron Microscopy (SEM), Electron Backscattering Diffraction (EBSD), and Transmission Electron Microscopy (TEM). Testing showed a clear evolution of the steady-state creep mechanism when the cycling amplitudes were varied, from dislocation controlled to diffusion controlled creep. Dislocation behavior was examined and shown to evolve differently in single amplitude vs. variable amplitude testing. Finally, the mechanism of the recrystallization behavior of the beta-Sn was observed. This work fills a gap in the literature, providing a systematic study which identifies how the damage behavior in Sn-alloys depends upon the previous damage. A link is made between the observed creep behavior and the dislocation observations, providing a unified picture. Information developed in this work lays a stepping stone to future fundamental analyses as well as clarifying aspects of the mechanistic behavior of Sn and Sn-based alloys.

Compositional changes of minerals associated with dynamic recrystallizatin

NASA Astrophysics Data System (ADS)

Yund, Richard A.; Tullis, Jan

1991-09-01

The rate of compositional and isotopic exchange between minerals may be enhanced significantly if the rock is deformed simultaneously. The enhanced exchange rate may result from a reduction in grain size (shorter distance for volume diffusion), dissolution and growth of grains by diffusion creep (pressure solution), or the movement of high-angle grain boundaries through strained grains during recrystallization in the dislocation creep regime. The migration of high-angle grain boundaries provides high diffusivity paths for the rapid exchange of components during recrystallization. The operation of the latter process has been demonstrated by deforming aggregates consisting of two plagioclases (An1 and An79) at 900°C, 1 GPa confining pressure, and a strain rate of ˜2x10-6s-1. The polygonal, recrystallized grains were analyzed using an analytical transmission electron microscope and have a variable but often intermediate composition. At the conditions of these experiments, the volume interdiffusion rate of NaSi/CaAl is too slow to produce any observable chemical change, and microstructural-chemical relations indicate that the contribution from diffusion creep was insignificant except for initially fine-grained (2 10 μm) aggregates. These results indicate that strain-induced recrystallization can be an effective mechanism for enhancing the kinetics of metamorphic reactions and for resetting the isotope systematics of minerals such as feldspars, pyroxenes, and amphiboles.

Coarsening of Inter- and Intra-granular Proeutectoid Cementite in an Initially Pearlitic 2C-4Cr Ultrahigh Carbon Steel

NASA Astrophysics Data System (ADS)

Hecht, Matthew D.; Picard, Yoosuf N.; Webler, Bryan A.

2017-05-01

We have examined spheroidization and coarsening of cementite in an initially pearlitic 2C-4Cr ultrahigh carbon steel containing a cementite network. Coarsening kinetics of spheroidized cementite and growth of denuded zones adjacent to the cementite network were investigated by analyzing particle sizes from digital micrographs of water-quenched steel etched with Nital. Denuded zones grew at a rate proportional to t 1/4- t 1/5. Spheroidization of pearlite was completed within 90 minutes at 1073 K and 1173 K (800 °C and 900 °C), and within 5 minutes at 1243 K (970 °C). Bimodal particle size distributions were identified in most of the samples and were more pronounced at higher temperatures and hold times. Peaks in the distributions were attributed to the coarsening of intragranular and grain boundary particles at different rates. A third, non-coarsening peak of particles was present at 1073 K (800 °C) only and was attributed to particles existing prior to the heat treatment. Particle sizes were plotted vs time to investigate possible coarsening mechanisms. The coarsening exponent for the growth of grain boundary carbides was closest to 4, indicating grain boundary diffusion control. The coarsening exponent was closest to 5 for intragranular carbides, indicating suppression of volumetric diffusion (possibly due to reduced effective diffusivity because of Cr alloying) and control by dislocation diffusion.

Grain boundary diffusion in olivine (Invited)

NASA Astrophysics Data System (ADS)

Marquardt, K.; Dohmen, R.

2013-12-01

Olivine is the main constituent of Earth's upper mantle. The individual mineral grains are separated by grain boundaries that have very distinct properties compared to those of single crystals and strongly affect large-scale physical and chemical properties of rocks, e.g. viscosity, electrical conductivity and diffusivity. Knowledge on the grain boundary physical and chemical properties, their population and distribution in polycrystalline materials [1] is a prerequisite to understand and model bulk (rock) properties, including their role as pathways for element transport [2] and the potential of grain boundaries as storage sites for incompatible elements [3]. Studies on selected and well characterized single grain boundaries are needed for a detailed understanding of the influence of varying grain boundaries. For instance, the dependence of diffusion on the grain boundary structure (defined by the lattice misfit) and width in silicates is unknown [2, 4], but limited experimental studies in material sciences indicate major effects of grain boundary orientation on diffusion rates. We characterized the effect of grain boundary orientation and temperature on element diffusion in forsterite grain boundaries by transmission electron microscopy (TEM).The site specific TEM-foils were cut using the focused ion beam technique (FIB). To study diffusion we prepared amorphous thin-films of Ni2SiO4 composition perpendicular to the grain boundary using pulsed laser deposition. Annealing (800-1450°C) leads to crystallization of the thin-film and Ni-Mg inter-diffuse into the crystal volume and along the grain boundary. The inter-diffusion profiles were measured using energy dispersive x-ray spectrometry in the TEM, standardized using the Cliff-Lorimer equation and EMPA measurements. We obtain volume diffusion coefficients that are comparable to Ni-Mg inter-diffusion rates in forsterite determined in previous studies at comparable temperatures, with similar activation energies. Grain boundary diffusion perpendicular to the dislocation lines of the small angle grain boundaries proved to be about an order of magnitude faster than volume diffusion, whereas diffusion in high angle grain boundaries is several orders of magnitude faster. We will discuss the variation of element diffusion rates with grain boundary orientation and the temperature- and/or time-induced transition from one diffusion regime to the next regime. This is done using time series experiments and two-dimensional grain boundary diffusion simulations. Finally, we will debate the differences between our data and other data sets that result from different experimental setups, conditions and analyses.

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.

Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations

NASA Astrophysics Data System (ADS)

Admal, Nikhil Chandra; Po, Giacomo; Marian, Jaime

2017-12-01

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the system is modeled as a collection of boundary-value problems with matching boundary conditions. In this paper, we develop a diffuse-interface crystal plasticity model for polycrystalline materials that results in a single boundary-value problem with a single crystal as the reference configuration. Using a multiplicative decomposition of the deformation gradient into lattice and plastic parts, i.e. F( X,t)= F L( X,t) F P( X,t), an initial stress-free polycrystal is constructed by imposing F L to be a piecewise constant rotation field R 0( X), and F P= R 0( X)T, thereby having F( X,0)= I, and zero elastic strain. This model serves as a precursor to higher order crystal plasticity models with grain boundary energy and evolution.

Material requirements for the adoption of unconventional silicon crystal and wafer growth techniques for high-efficiency solar cells

DOE PAGES

Hofstetter, Jasmin; del Cañizo, Carlos; Wagner, Hannes; ...

2015-10-15

Silicon wafers comprise approximately 40% of crystalline silicon module cost and represent an area of great technological innovation potential. Paradoxically, unconventional wafer-growth techniques have thus far failed to displace multicrystalline and Czochralski silicon, despite four decades of innovation. One of the shortcomings of most unconventional materials has been a persistent carrier lifetime deficit in comparison to established wafer technologies, which limits the device efficiency potential. In this perspective article, we review a defect-management framework that has proven successful in enabling millisecond lifetimes in kerfless and cast materials. Control of dislocations and slowly diffusing metal point defects during growth, coupled tomore » effective control of fast-diffusing species during cell processing, is critical to enable high cell efficiencies. As a result, to accelerate the pace of novel wafer development, we discuss approaches to rapidly evaluate the device efficiency potential of unconventional wafers from injection-dependent lifetime measurements.« less

Material requirements for the adoption of unconventional silicon crystal and wafer growth techniques for high-efficiency solar cells

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

Hofstetter, Jasmin; del Cañizo, Carlos; Wagner, Hannes

Silicon wafers comprise approximately 40% of crystalline silicon module cost and represent an area of great technological innovation potential. Paradoxically, unconventional wafer-growth techniques have thus far failed to displace multicrystalline and Czochralski silicon, despite four decades of innovation. One of the shortcomings of most unconventional materials has been a persistent carrier lifetime deficit in comparison to established wafer technologies, which limits the device efficiency potential. In this perspective article, we review a defect-management framework that has proven successful in enabling millisecond lifetimes in kerfless and cast materials. Control of dislocations and slowly diffusing metal point defects during growth, coupled tomore » effective control of fast-diffusing species during cell processing, is critical to enable high cell efficiencies. As a result, to accelerate the pace of novel wafer development, we discuss approaches to rapidly evaluate the device efficiency potential of unconventional wafers from injection-dependent lifetime measurements.« less

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.

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...

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…

Tc-99 Decontamination From Heat Treated Gaseous Diffusion Membrane -Phase I

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

Oji, L.; Wilmarth, B.; Restivo, M.

2017-03-13

Uranium gaseous diffusion cascades represent a significant environmental challenge to dismantle, containerize and dispose as low-level radioactive waste. Baseline technologies rely on manual manipulations involving direct access to technetium-contaminated piping and materials. There is a potential to utilize novel thermal decontamination technologies to remove the technetium and allow for on-site disposal of the very large uranium converters. Technetium entered these gaseous diffusion cascades as a hexafluoride complex in the same fashion as uranium. Technetium, as the isotope Tc-99, is an impurity that follows uranium in the first cycle of the Plutonium and Uranium Extraction (PUREX) process. The technetium speciation ormore » exact form in the gas diffusion cascades is not well defined. Several forms of Tc-99 compounds, mostly the fluorinated technetium compounds with varying degrees of volatility have been speculated by the scientific community to be present in these cascades. Therefore, there may be a possibility of using thermal desorption, which is independent of the technetium oxidation states, to perform an in situ removal of the technetium as a volatile species and trap the radionuclide on sorbent traps which could be disposed as low-level waste.« less

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.

A phase field crystal model simulation of morphology evolution and misfit dislocation generation in nanoheteroepitaxy

NASA Astrophysics Data System (ADS)

Zhang, J.; Chen, Z.; Cheng, C.; Wang, Y. X.

2017-10-01

A phase field crystal (PFC) model is employed to study morphology evolution of nanoheteroepitaxy and misfit dislocation generation when applied with enhanced supercooling, lattice mismatch and substrate vicinal angle conditions. Misfit strain that rises due to lattice mismatch causes rough surfaces or misfit dislocations, deteriorates film properties, hence, efforts taken to reveal their microscopic mechanism are significant for film quality improvement. Uniform islands, instead of misfit dislocations, are developed in subcritical thickness film, serving as a way of strain relief by surface mechanism. Misfit dislocations generate when strain relief by surface mechanism is deficient in higher supercooling, multilayers of misfit dislocations dominate, but the number of layers reduces gradually when the supercooling is further enhanced. Rough surfaces like islands or cuspate pits are developed which is ascribed to lattice mismatch, multilayers of misfit dislocations generate to further enhance lattice mismatch. Layers of misfit dislocations generate at a thickening position at enhanced substrate vicinal angle, this further enhancing the angle leading to sporadic generation of misfit dislocations.

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

On the thermal runaway of combustible fluids in lagging material

NASA Astrophysics Data System (ADS)

McIntosh, A. C.; Griffiths, J. F.

1995-01-01

This paper presents the mathematical foundations for a simple theory for investigating the phenomenon of ignition of flammable fluids in lagging material that are used for insulation of hot pipework, for transport of heat transfer fluids, or other similar situations. Experiments with porous material impregnated with a flammable fluid have simulated the self-heating known to occur when combustible liquids leak from a hot pipe into lagging surrounding the pipe or are split from another source on to the lagging. A theory to explain these findings is presented which shows that there is a watershed temperature beyond which substantial self-heating will take place. Although the theory does not take account of diffusion, it simulates the main physics of the phenomenon-that is, combustible fluid, which normally in the open air would evaporate and not be a hazard, can, within a porous medium, remain dispersed within the porous structure long enough for the exothermic oxidation to develop into ignition.

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.

Reduction of threading dislocation density in SiGe epilayer on Si (0 0 1) by lateral growth liquid-phase epitaxy

NASA Astrophysics Data System (ADS)

O'Reilly, Andrew J.; Quitoriano, Nathaniel J.

2018-02-01

Si0.973Ge0.027 epilayers were grown on a Si (0 0 1) substrate by a lateral liquid-phase epitaxy (LLPE) technique. The lateral growth mechanism favoured the glide of misfit dislocations and inhibited the nucleation of new dislocations by maintaining the thickness less than the critical thicknesses for dislocation nucleation and greater than the critical thickness for glide. This promoted the formation of an array of long misfit dislocations parallel to the [1 1 0] growth direction and reduced the threading dislocation density to 103 cm-2, two orders of magnitude lower than the seed area with an isotropic misfit dislocation network.

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

Density of dislocations in CdHgTe heteroepitaxial structures on GaAs(013) and Si(013) substrates

NASA Astrophysics Data System (ADS)

Sidorov, Yu. G.; Yakushev, M. V.; Varavin, V. S.; Kolesnikov, A. V.; Trukhanov, E. M.; Sabinina, I. V.; Loshkarev, I. D.

2015-11-01

Epitaxial layers of Cd x Hg1- x Te (MCT) on GaAs(013) and Si(013) substrates were grown by molecular beam epitaxy. The introduction of ZnTe and CdTe intermediate layers into the structures made it possible to retain the orientation close to that of the substrate in MCT epitaxial layers despite the large mismatch between the lattice parameters. The structures were investigated using X-ray diffraction and transmission electron microscopy. The dislocation families predominantly removing the mismatch between the lattice parameters were found. Transmission electron microscopy revealed Γ-shaped misfit dislocations (MDs), which facilitated the annihilation of threading dislocations. The angles of rotation of the lattice due to the formation of networks of misfit dislocations were measured. It was shown that the density of threading dislocations in the active region of photodiodes is primarily determined by the network of misfit dislocations formed in the MCT/CdTe heterojunction. A decrease in the density of threading dislocations in the MCT film was achieved by cyclic annealing under conditions of the maximally facilitated nonconservative motion of dislocations. The dislocation density was determined from the etch pits.

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.

Atomistic simulations of materials: Methods for accurate potentials and realistic time scales

NASA Astrophysics Data System (ADS)

Tiwary, Pratyush

This thesis deals with achieving more realistic atomistic simulations of materials, by developing accurate and robust force-fields, and algorithms for practical time scales. I develop a formalism for generating interatomic potentials for simulating atomistic phenomena occurring at energy scales ranging from lattice vibrations to crystal defects to high-energy collisions. This is done by fitting against an extensive database of ab initio results, as well as to experimental measurements for mixed oxide nuclear fuels. The applicability of these interactions to a variety of mixed environments beyond the fitting domain is also assessed. The employed formalism makes these potentials applicable across all interatomic distances without the need for any ambiguous splining to the well-established short-range Ziegler-Biersack-Littmark universal pair potential. We expect these to be reliable potentials for carrying out damage simulations (and molecular dynamics simulations in general) in nuclear fuels of varying compositions for all relevant atomic collision energies. A hybrid stochastic and deterministic algorithm is proposed that while maintaining fully atomistic resolution, allows one to achieve milliseconds and longer time scales for several thousands of atoms. The method exploits the rare event nature of the dynamics like other such methods, but goes beyond them by (i) not having to pick a scheme for biasing the energy landscape, (ii) providing control on the accuracy of the boosted time scale, (iii) not assuming any harmonic transition state theory (HTST), and (iv) not having to identify collective coordinates or interesting degrees of freedom. The method is validated by calculating diffusion constants for vacancy-mediated diffusion in iron metal at low temperatures, and comparing against brute-force high temperature molecular dynamics. We also calculate diffusion constants for vacancy diffusion in tantalum metal, where we compare against low-temperature HTST as well. The robustness of the algorithm with respect to the only free parameter it involves is ascertained. The method is then applied to perform tensile tests on gold nanopillars on strain rates as low as 100/s, bringing out the perils of high strain-rate molecular dynamics calculations. We also calculate temperature and stress dependence of activation free energy for surface nucleation of dislocations in pristine gold nanopillars under realistic loads. While maintaining fully atomistic resolution, we reach the fraction-of-a-second time scale regime. It is found that the activation free energy depends significantly and nonlinearly on the driving force (stress or strain) and temperature, leading to very high activation entropies for surface dislocation nucleation.

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.

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.

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

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.

Investigation of threading dislocation blocking in strained-layer InGaAs/GaAs heterostructures using scanning cathodoluminescence microscopy

NASA Astrophysics Data System (ADS)

Russell, J. J.; Zou, J.; Moon, A. R.; Cockayne, D. J. H.

2000-08-01

Threading dislocation glide relieves strain in strained-layer heterostructures by increasing the total length of interface misfit dislocations. The blocking theory proposed by Freund [J. Appl. Phys. 68, 2073 (1990)] predicts the thickness above which gliding threading dislocations are able to overcome the resistance force produced by existing orthogonal misfit dislocations. A set of wedge-shaped samples of InxGa1-xAs/GaAs (x=0.04) strained-layer heterostructures was grown using molecular-beam epitaxy in order to test the theory of dislocation blocking over a range of thicknesses within one sample. Scanning cathodoluminescence microscopy techniques were used to image the misfit dislocations. The cathodoluminescence results confirm the model proposed by Freund.

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.

Three-dimensional interaction and movements of various dislocations in anisotropic bicrystals with semicoherent interfaces

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

Lattice dislocation interactions with semicoherent interfaces are investigated by means of anisotropic field solutions in metallic homo- and hetero-structures. The present framework is based on the mathematically elegant and computationally powerful Stroh formalism, combining further with the Fourier integral and series transforms, which cover different shapes and dimensions of various extrinsic and intrinsic dislocations. Two-dimensional equi-spaced arrays of straight lattice dislocations and finite arrangements of piled-up dislocations as well as any polygonal and elliptical dislocation loops in three dimensions are considered using a superposition scheme. Self, image and Peach-Koehler forces are derived to compute the equilibrium dislocation positions in pile-ups, including the internal structures and energetics of the interfacial dislocation networks. For illustration, the effects due to the elastic and misfit mismatches are discussed in the pure misfit Au/Cu and heterophase Cu/Nb systems, while discrepancies resulting from the approximation of isotropic elasticity are clearly exhibited. These numerical examples not only feature and enhance the existing works in anisotropic bimaterials, but also promote a novel opportunity of analyzing the equilibrium shapes of planar glide dislocation loops at nanoscale.

A study of dynamical evolution of small two-dimensional Copper islands’ diffusion on Ag(111) surface and observed surface effects

NASA Astrophysics Data System (ADS)

Hayat, Sardar Sikandar; Rehman, Zakirur; Shah, Zulfiqar Ali

2017-11-01

We study the diffusion of two-dimensional Cun(1 ≤ n ≤ 9) islands on Ag(111) surface using molecular dynamics (MD) simulations. The work is the extension of calculations of monomer and dimer Hayat et al. [Phys. Rev. B 82 (2010) 085411] and trimer results Shah et al. [Phys. Lett. A 378 (2014) 1732]. Simulations carried out at three different temperatures — 300, 500, and 700 K — show the concerted motion to be dominant for the smaller islands (2- to 4-atoms), while the shape-changing multiple-atom processes are responsible for the diffusion of larger islands. Arrhenius plots of the diffusion coefficients reveal that the effective energy barrier is less than 260 ± 5 meV for the largest island size of Cu/Ag(111). There is a scaling of the effective energy barrier with size to some extent, but most notably it remains constant for islands with 4- to 6-atoms. The diffusion coefficient increases within a factor of 10 at the three temperatures 300, 500, and 700 K. The observed anharmonic features of the Cun adislands (breakage and pop-up) at Ag(111) surface as well as the surface anharmonicity of the Ag-substrate (fissures, dislocations, vacancy generation, and atomic exchange), are also presented. These findings can serve as an input for kinetic Monte Carlo (KMC) simulations. For the smaller sized islands the variation in the effective energy barrier with the island size is in good agreement with the experimental findings.

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.

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.

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.

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.

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

In vacancies in InN grown by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Reurings, Floris; Tuomisto, Filip; Gallinat, Chad S.; Koblmüller, Gregor; Speck, James S.

2010-12-01

The authors have applied positron annihilation spectroscopy to study the effect of different growth conditions on vacancy formation in In- and N-polar InN grown by plasma-assisted molecular beam epitaxy. The results suggest that the structural quality of the material and limited diffusion of surface adatoms during growth dictate the In vacancy formation in low electron-density undoped epitaxial InN, while growth conditions and thermodynamics have a less important role, contrary to what is observed in, e.g., GaN. Furthermore, the results imply that in high quality InN, the electron mobility is likely limited not by ionized point defect scattering, but rather by threading dislocations.

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.

Deformation Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness

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

Snel, J.; Monclús, M. A.; Castillo-Rodríguez, M.

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding are studied at 25°C and 400°C. Cu/Nb NMMs with individual layer thicknesses between 7 nm and 63 nm were tested by in situ micropillar compression inside a scanning electron microscope. Yield strength, strain-rate sensitivities and activation volumes were obtained from the pillar compression tests. The deformed micropillars were examined under scanning and transmission electron microscopy in order to examine the deformation mechanisms active for different layer thicknesses and temperatures. The paper suggests that room temperature deformation was determined by dislocation glide at largermore » layer thicknesses and interface-related mechanisms at the thinner layer thicknesses. The high-temperature compression tests, in contrast, revealed superior thermo-mechanical stability and strength retention for the NMMs with larger layer thicknesses with deformation controlled by dislocation glide. A remarkable transition in deformation mechanism occurred as the layer thickness decreased, to a deformation response controlled by diffusion processes along the interfaces, which resulted in temperature-induced softening. Finally, a deformation mechanism map, in terms of layer thickness and temperature, is proposed from the results obtained in this investigation.« less

The Portevin-Le Chatelier Effect in the Ni-Based Superalloy IN100

NASA Astrophysics Data System (ADS)

Fernandez-Zelaia, Patxi; Adair, Benjamin S.; Barker, Vincent M.; Antolovich, Stephen D.

2015-12-01

The Portevin-Le Chatelier (PLC) effect has been studied in the Ni-based superalloy IN100 which is currently used as a disk material in jet engines. A series of tensile tests was carried out at 588 K, 755 K, and 922 K (315 °C, 482 °C, and 649 °C) at plastic strain rates ranging from a low of 6.21 × 10-6 s-1 to a high of 4.92 × 10-2 s-1. The activation energy was determined using the slope of a line on a strain rate/temperature graph which divided the area of the graph into two regions: (1) "PLC behavior observed," and (2) "No PLC behavior observed." A new statistical approach was developed to objectively differentiate between a true PLC effect and experimental uncertainty ( i.e., "noise"). The value of the activation energy was found to be 1.14 eV/atom, which strongly suggests that the rate controlling process was bulk diffusion of C in the lattice. A qualitative model, based on the Orowan equation and slip band dislocation mechanics, was proposed, which unifies the seemingly disparate ideas of the process being controlled by a single atom/dislocation interaction while at the same time exhibiting significant strains during PLC load drops.

The mechanisms of dispersion strengthening and fracture in Al-based XD(tm) alloys, part 1

NASA Technical Reports Server (NTRS)

Aikin, R. M., Jr.

1990-01-01

The influence of reinforcement size, volume fraction, and matrix deformation behavior on room and elevated temperature strength; the fracture toughness; and the fatigue crack growth rate of metal matrix composites of Al-4(pct)Cu-1.5(pct)Mg with TiB2 were examined. The influence of reinforcement volume fraction was also examined for pure aluminum with TiB2. Higher TiB2 volume fractions increased the tensile yield strength at both room and elevated temperatures, and reduced the elongation to fracture. Tensile tests also indicate that small particles provided a greater increase in strength for a given volume fraction than larger particles, whereas elongation to fracture appeared to be insensitive to reinforcement size. Interparticle spacing appears to be the factor that controls the strength of these alloys, with the exact nature of the dependence relying on the nature of dislocation slip in the matrix (planar vs. diffuse). The isothermal aging response of the precipitation strengthened Al-4(pct)Cu-1.5(pct)Mg alloys was not accelerated by the presence of TiB2. Cold work prior to artificial aging created additional geometrically necessary dislocations which serve as heterogeneous nucleation sites leading to accelerated aging, a finer precipitate size, and an increase in the strength of the alloy.

Numerical Study on Stress Heterogeneity Development in Two-Phase Rocks with Large Rheological Contrast and Implications in the Lower Crust

NASA Astrophysics Data System (ADS)

Xu, Junshan; Zhang, Baohua

2018-03-01

Development of stress heterogeneity in two-phase rocks was investigated via a finite element method at 1000-1200 K and 100 MPa. Two groups of rock models were considered: anorthite-diopside and anorthite-clinopyroxene, with a phase volume ratio of 1:1 in each group and different dislocation creep rates between phases ( 4-8 orders of magnitude). Our numerical results indicate that the stress inside the model can be several times higher than the differential stress applied to the model and stress will tend to concentrate in hard phase, especially near the sharp boundaries with soft phase. Moreover, large stress gradient in hard phase and nearly homogeneous stress in soft phase will lead to the initialization of localized dynamic recrystallization or fracture. These numerical observations suggest that the rheological contrast between two phases plays a crucial role in stress heterogeneity rather than other factors (such as grain size, the boundary conditions or mesh density), which may eventually accelerate development of stress heterogeneity in the lower crust. Our study provides new insights into the dynamic processes of grain size reduction in the lower crust, which may cause the transformation from dislocation creep to diffusion creep and enable the weakened shear zones.

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 Mechanism Map of Cu/Nb Nanoscale Metallic Multilayers as a Function of Temperature and Layer Thickness

DOE PAGES

Snel, J.; Monclús, M. A.; Castillo-Rodríguez, M.; ...

2017-08-29

The mechanical properties and deformation mechanisms of Cu/Nb nanoscale metallic multilayers (NMMs) manufactured by accumulative roll bonding are studied at 25°C and 400°C. Cu/Nb NMMs with individual layer thicknesses between 7 nm and 63 nm were tested by in situ micropillar compression inside a scanning electron microscope. Yield strength, strain-rate sensitivities and activation volumes were obtained from the pillar compression tests. The deformed micropillars were examined under scanning and transmission electron microscopy in order to examine the deformation mechanisms active for different layer thicknesses and temperatures. The paper suggests that room temperature deformation was determined by dislocation glide at largermore » layer thicknesses and interface-related mechanisms at the thinner layer thicknesses. The high-temperature compression tests, in contrast, revealed superior thermo-mechanical stability and strength retention for the NMMs with larger layer thicknesses with deformation controlled by dislocation glide. A remarkable transition in deformation mechanism occurred as the layer thickness decreased, to a deformation response controlled by diffusion processes along the interfaces, which resulted in temperature-induced softening. Finally, a deformation mechanism map, in terms of layer thickness and temperature, is proposed from the results obtained in this investigation.« less

[Complications after refractive surgery abroad].

PubMed

Terzi, E; Kern, T; Kohnen, T

2008-05-01

In this article a retrospective analysis of patients presenting at a German university following refractive surgery abroad is presented. A total of 20 cases of patients who had undergone treatment between 1998 and 2006 in China (1 case), Greece (1 case), Iran (1 case), Russia (2 cases), Switzerland (1 case), Slovakia (1 case), Spain (2 cases), South Africa (3 cases), Turkey (6 cases) and the USA (2 cases) were analyzed retrospectively. The following complications were observed: epithelial ingrowth into the interface with or without melting of the flap (6 cases), corneal ectasia (2 cases), dislocation of a phakic posterior chamber intraocular lens and prolapse into the anterior chamber with endothelial cell loss (1 case), secondary increase of intraocular pressure following implantation of a phakic intraocular lens (1 case), flap-related complications following laser-in-situ keratomileusis (LASIK) (2 cases), keratitis (1 case), dislocation of the complete flap (1 case), diffuse lamellar keratitis (DLK) grade IV (1 case), hyperopia as a consequence of radial keratotomy (1 case), and under correction/over correction and poor optical quality following laser epithelial keratomileusis (LASEK) and LASIK for high myopia (5 cases) with possible early corneal ectasia. There are four important problems arising from refractive surgery abroad, often referred to as "LASIK tourism": wrong indications, insufficient management of complications, lack of postoperative care and the health economic aspect.

The role of subgrain boundaries in partial melting

NASA Astrophysics Data System (ADS)

Levine, Jamie S. F.; Mosher, Sharon; Rahl, Jeffrey M.

2016-08-01

Evidence for partial melting along subgrain boundaries in quartz and plagioclase is documented for rocks from the Lost Creek Gneiss of the Llano Uplift, central Texas, the Wet Mountains of central Colorado, and the Albany-Fraser Orogen, southwestern Australia. Domains of quartz or plagioclase crystals along subgrain boundaries are preferentially involved in partial melting over unstrained domains of these minerals. Material along subgrain boundaries in quartz and plagioclase has the same morphology as melt pseudomorphs present along grain boundaries and is commonly laterally continuous with this former grain boundary melt, indicating the material along subgrain boundaries can also be categorized as a melt pseudomorph. Subgrain boundaries consist of arrays of dislocations within a crystal lattice, and unlike fractures would not act as conduits for melt migration. Instead, the presence of former melt along subgrain boundaries requires that partial melting occurred in these locations because it is kinetically more favorable for melting reactions to occur there. Preferential melting in high strain locations may be attributed to strain energy, which provides a minor energetic contribution to the reaction and leads to preferential melting in locations with weakened bonds, and/or the presence of small quantities of water associated with dislocations, which may enhance diffusion rates or locally lower the temperature needed for partial melting.

Non-Traumatic Anterior Dislocation of a Total Knee Replacement Associated with Neurovascular Injury

PubMed Central

Aderinto, Joseph; Gross, Allan E; Rittenhouse, Bryan

2009-01-01

Prosthetic total knee replacements rarely dislocate. When dislocation does occur, it is usually in a posterior direction in association with a posterior stabilised, cruciate-sacrificing prosthesis. Neurovascular injury is unusual. In this report, we describe a case of anterior dislocation of a cruciate-retaining total knee replacement in a 67-year-old woman. The dislocation occurred in the absence of overt trauma and resulted in severe neurovascular injury. PMID:19686618

Posterior dislocation following revision total knee replacement arthroplasty: a case report and literature analysis.

PubMed

Lee, Ho Min; Kim, Jong Pil; Chung, Phil Hyun; Kang, Suk; Kim, Young Sung; Go, Bo Seong

2018-05-24

Knee dislocation following total knee replacement arthroplasty is a rare but serious complication. The incidence of dislocation following primary total knee arthroplasty with posterior stabilized implants ranges from 0.15 to 0.5%, and posterior dislocation after revision total knee arthroplasty is even rarer. Here, we report the case of a 76-year-old male who presented with posterior dislocation after posterior stabilized revision total knee arthroplasty.

Pyramidal dislocation induced strain relaxation in hexagonal structured InGaN/AlGaN/GaN multilayer

NASA Astrophysics Data System (ADS)

Yan, P. F.; Du, K.; Sui, M. L.

2012-10-01

Due to the special dislocation slip systems in hexagonal lattice, dislocation dominated deformations in hexagonal structured multilayers are significantly different from that in cubic structured systems. In this work, we have studied the strain relaxation mechanism in hexagonal structured InGaN/AlGaN/GaN multilayers with transmission electron microscopy. Due to lattice mismatch, the strain relaxation was found initiated with the formation of pyramidal dislocations. Such dislocations locally lie at only one preferential slip direction in the hexagonal lattice. This preferential slip causes a shear stress along the basal planes and consequently leads to dissociation of pyramidal dislocations and operation of the basal plane slip system. The compressive InGaN layers and "weak" AlGaN/InGaN interfaces stimulate the dissociation of pyramidal dislocations at the interfaces. These results enhance the understanding of interactions between dislocations and layer interfaces and shed new lights on deformation mechanism in hexagonal-lattice multilayers.

Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys

DOE PAGES

Zhao, Shijun; Osetsky, Yuri N.; Zhang, Yanwen; ...

2017-01-19

Single-phase concentrated solid solution alloys (CSAs), including high entropy alloys, exhibit excellent mechanical properties compared to conventional dilute alloys. However, the origin of this observation is not clear yet because the dislocation properties in CSAs are poorly understood. In this work, the mobility of a <110>{111} edge dislocation in pure Ni and equiatomic solid solution Ni 0.5Fe 0.5 (NiFe) is studied using molecular dynamics simulations with different empirical potentials. The threshold stress to initiate dislocation movement in NiFe is found to be much higher compared to pure Ni. The drag coefficient of the dislocation motion calculated from the linear regimemore » of dislocation velocities versus applied stress suggests that the movement of dislocations in NiFe is strongly damped compared to that in Ni. The present results indicate that the mobility of edge dislocations in fcc CSAs are controlled by the fluctuations in local stacking fault energy caused by the local variation of alloy composition.« less

Computational modelling of mesoscale dislocation patterning and plastic deformation of single crystals

NASA Astrophysics Data System (ADS)

Xia, Shengxu; El-Azab, Anter

2015-07-01

We present a continuum dislocation dynamics model that predicts the formation of dislocation cell structure in single crystals at low strains. The model features a set of kinetic equations of the curl type that govern the space and time evolution of the dislocation density in the crystal. These kinetic equations are coupled to stress equilibrium and deformation kinematics using the eigenstrain approach. A custom finite element method has been developed to solve the coupled system of equations of dislocation kinetics and crystal mechanics. The results show that, in general, dislocations self-organize in patterns under their mutual interactions. However, the famous dislocation cell structure has been found to form only when cross slip is implemented in the model. Cross slip is also found to lower the yield point, increase the hardening rate, and sustain an increase in the dislocation density over the hardening regime. Analysis of the cell structure evolution reveals that the average cell size decreases with the applied stress, which is consistent with the similitude principle.

Ultrasonic Study of Dislocation Dynamics in Lithium -

NASA Astrophysics Data System (ADS)

Han, Myeong-Deok

1987-09-01

Experimental studies of dislocation dynamics in LiF single crystals, using ultrasonic techniques combined with dynamic loading, were performed to investigate the time evolution of the plastic deformation process under a short stress pulse at room temperature, and the temperature dependence of the dislocation damping mechanism in the temperature range 25 - 300(DEGREES)K. From the former, the time dependence of the ultrasonic attenuation was understood as resulting from dislocation multiplication followed by the evolution of mobile dislocations to immobile ones under large stress. From the latter, the temperature dependence of the ultrasonic attenuation was interpreted as due to the motion of the dislocation loops overcoming the periodic Peierls potential barrier in a manner analogous to the motion of a thermalized sine-Gordon chain under a small stress. The Peierls stress obtained from the experimental results by application of Seeger's relaxation model with exponential dislocation length distribution was 4.26MPa, which is consistent with the lowest stress for the linear relation between the dislocation velocity and stress observed by Flinn and Tinder.

Chronic bilateral dislocation of temporomandibular joint.

PubMed

Shakya, S; Ongole, R; Sumanth, K N; Denny, C E

2010-01-01

Dislocation of the condyle of the mandible is a common condition that may occur in an acute or chronic form. It is characterised by inability to close the mouth with or without pain. Dislocation has to be differentiated from subluxation which is a self reducible condition. Dislocation can occur in any direction with anterior dislocation being the commonest one. Various predisposing factors have been associated with dislocation like muscle fatigue and spasm, the defect in the bony surface like shallow articular eminence, and laxity of the capsular ligament. People with defect in collagen synthesis like Ehler Danlos syndrome, Marfan syndrome are said to be genetically predisposed to this condition. Various treatment modalities have been used ranging from conservative techniques to surgical methods. Acute dislocations can be reduced manually or with conservative approach and recurrent and chronic cases can be reduced by surgical intervention. Though the dislocation in our case was 4 months a simple manual reduction proved to be successful. We believe that manual reduction can be attempted as first line of treatment prior to surgical intervention.

Period-doubling reconstructions of semiconductor partial dislocations

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

Park, Ji -Sang; Huang, Bing; Wei, Su -Huai

2015-09-18

Atomic-scale understanding and control of dislocation cores is of great technological importance, because they act as recombination centers for charge carriers in optoelectronic devices. Using hybrid density-functional calculations, we present period-doubling reconstructions of a 90 degrees partial dislocation in GaAs, for which the periodicity of like-atom dimers along the dislocation line varies from one to two, to four dimers. The electronic properties of a dislocation change drastically with each period doubling. The dimers in the single-period dislocation are able to interact, to form a dispersive one-dimensional band with deep-gap states. However, the inter-dimer interaction for the double-period dislocation becomes significantlymore » reduced; hence, it is free of mid-gap states. The Ga core undergoes a further period-doubling transition to a quadruple-period reconstruction induced by the formation of small hole polarons. In conclusion, the competition between these dislocation phases suggests a new passivation strategy via population manipulation of the detrimental single-period phase.« less

Uncovering the inertia of dislocation motion and negative mechanical response in crystals.

PubMed

Tang, Yizhe

2018-01-09

Dislocations are linear defects in crystals and their motion controls crystals' mechanical behavior. The dissipative nature of dislocation propagation is generally accepted although the specific mechanisms are still not fully understood. The inertia, which is undoubtedly the nature of motion for particles with mass, seems much less convincing for configuration propagation. We utilize atomistic simulations in conditions that minimize dissipative effects to enable uncovering of the hidden nature of dislocation motion, in three typical model metals Mg, Cu and Ta. We find that, with less/no dissipation, dislocation motion is under-damped and explicitly inertial at both low and high velocities. The inertia of dislocation motion is intrinsic, and more fundamental than the dissipative nature. The inertia originates from the kinetic energy imparted from strain energy and stored in the moving core. Peculiar negative mechanical response associated with the inertia is also discovered. These findings shed light on the fundamental nature of dislocation motion, reveal the underlying physics, and provide a new physical explanation for phenomena relevant to high-velocity dislocations.

Electron energy can oscillate near a crystal dislocation

DOE PAGES

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.; ...

2017-01-25

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Growth kinetics and island evolution during double-pulsed molecular beam epitaxy of InN

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

Kraus, A.; Hein, C.; Bremers, H.

The kinetic processes of InN growth using alternating source fluxes with sub-monolayer In pulses in plasma-assisted molecular beam epitaxy have been investigated. Growth at various temperatures reveals the existence of two growth regimes. While growth at low temperatures is solely governed by surface diffusion, a combination of decomposition, desorption, and diffusion becomes decisive at growth temperatures of 470 °C and above. At this critical temperature, the surface morphology changes from a grainy structure to a structure made of huge islands. The formation of those islands is attributed to the development of an indium adlayer, which can be observed via reflection highmore » energy electron diffraction monitoring. Based on the growth experiments conducted at temperatures below T{sub Growth} = 470 °C, an activation energy for diffusion of 0.54 ± 0.02 eV has been determined from the decreasing InN island density. A comparison between growth on metalorganic vapor phase epitaxy GaN templates and pseudo bulk GaN indicates that step edges and dislocations are favorable nucleation sites. Based on the results, we developed a growth model, which describes the main mechanisms of the growth.« less

Calorimetric Studies of Precipitation and Dissolution Kinetics in Aluminum Alloys 2219 and 7075

NASA Astrophysics Data System (ADS)

Papazian, John M.

1982-05-01

Differential scanning calorimetry (DSC) was used to study the kinetics of precipitation and dissolution of metastable and stable phases in aluminum alloys 2219 and 7075. A comparison of DSC scans obtained at heating rates of 1, 5, 10, and 20 K per minute showed that, during a DSC scan, the rates of precipitation of θ' and θ in 2219 and η' and η in 7075 were limited by their reaction kinetics. Likewise, the rates of dissolution of GP zones, θ' and η', were found to be dominated by kinetics. In contrast, the dissolution of θ and η was dominated by the thermodynamic equilibrium between these phases and the matrix. Analysis of the kinetically dominated reaction peaks and their dependence on heating rate and particle size showed that the GP zone dissolution reaction could best be described by a three-dimensional volume diffusion limited rate expression with an activation energy equal to that for diffusion. The rate of formation of θ' was best described by an Avrami expression with n = 1.1, indicating that nucleation was not the rate controlling step. A pronounced dependence of the θ' formation rate on prior plastic deformation was observed and ascribed to the influence of the matrix dislocation density on diffusivity.

Superolateral dislocation of an intact mandibular condyle into the temporal fossa: case report and literature review.

PubMed

Sharma, Divashree; Khasgiwala, Ankit; Maheshwari, Bharat; Singh, Charanpreet; Shakya, Neelam

2017-02-01

Temporomandibular joint dislocation refers to the dislodgement of mandibular condyle from the glenoid fossa. Anterior and anteromedial dislocations of the mandibular condyle are frequently reported in the literature, but superolateral dislocation is a rare presentation. This report outlines a case of superolateral dislocation of an intact mandibular condyle that occurred in conjunction with an ipsilateral mandibular parasymphysis fracture. A review of the clinical features of superolateral dislocation of the mandibular condyle and the possible techniques of its reduction ranging from the most conservative means to extensive surgical interventions is presented. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Ipsilateral fracture dislocation of the shoulder and elbow: A case report and literature review

PubMed Central

Behr, Ian; Blint, Andy; Trenhaile, Scott

2013-01-01

Ipsilateral dislocation of the shoulder and elbow is an uncommon injury. A literature review identified nine previously described cases. We are reporting a unique case of ipsilateral posterior shoulder dislocation and anterior elbow dislocation along with concomitant intra-articular fractures of both joints. This is the first report describing this combination of injuries. Successful treatment generally occurs with closed reduction of ipsilateral shoulder and elbow dislocations, usually reducing the elbow first. When combined with a fracture at one or both locations, closed reduction of the dislocations in conjunction with appropriate fracture management can result in a positive functional outcome. PMID:26403884

Bilateral posterior fracture-dislocation of the shoulder: Report of two cases

PubMed Central

Claro, Rui; Sousa, Ricardo; Massada, Marta; Ramos, Joaquim; Lourenço, José M.

2009-01-01

Bilateral posterior fracture-dislocation of the shoulder is a very rare injury. Almost 50% of bilateral posterior dislocations are due to a convulsive seizure, rising to 90% if the dislocations are associated with fractures. Electric shock accounts for less than 5% of bilateral posterior dislocations of the shoulder. A systematization of the clinical and radiological approach, followed by an early diagnosis and proper surgical treatment is essential. Authors report 2 cases of bilateral posterior fracture-dislocation of the shoulder, one caused by a convulsive seizure and the other by an electric shock. A review of literature and a treatment protocol are also presented. PMID:20661400

Simultaneous dislocation of the metacarpophalangeal and interphalangeal joints of the thumb.

PubMed

Tabib, William; Sayegh, Samir

2002-01-01

Combined dislocation of the metacarpophalangeal and interphalangeal joints of the thumb is uncommon. We know of only four previously reported cases. We report a new case characterised by dorsal dislocation of both joints. Because of entrapment of the volar plate, open reduction at the interphalangeal joint was necessary. The metacarpophalangeal dislocation was treated by closed reduction. After three weeks of immobilisation, physiotherapy resulted in a satisfactory outcome. Even if the diagnosis of dislocation of the interphalangeal joint is obvious it would be easy to overlook a simultaneous dislocation of the metacarpophalangeal joint with serious consequences. Whole hand examination remains an essential rule.

Effects of doping impurity and growth orientation on dislocation generation in GaAs crystals grown from the melt: A qualitative finite-element study

NASA Astrophysics Data System (ADS)

Zhu, X. A.; Tsai, C. T.

2000-09-01

Dislocations in gallium arsenide (GaAs) crystals are generated by excessive thermal stresses induced during the crystal growth process. The presence of dislocations has adverse effects on the performance and reliability of the GaAs-based devices. It is well known that dislocation density can be significantly reduced by doping impurity atoms into a GaAs crystal during its growth process. A viscoplastic constitutive equation that couples the microscopic dislocation density with the macroscopic plastic deformation is employed in a crystallographic finite element model for calculating the dislocation density generated in the GaAs crystal during its growth process. The dislocation density is considered as an internal state variable and the drag stress caused by doping impurity is included in this constitutive equation. A GaAs crystal grown by the vertical Bridgman process is adopted as an example to study the influences of doping impurity and growth orientation on dislocation generation. The calculated results show that doping impurity can significantly reduce the dislocation density generated in the crystal. The level of reduction is also influenced by the growth orientation during the crystal growth process.

Dislocation mechanism based model for stage II fatigue crack propagation rate

NASA Technical Reports Server (NTRS)

Mazumdar, P. K.

1986-01-01

Repeated plastic deformation, which of course depends on dislocation mechanism, at or near the crack tip leads to the fatigue crack propagation. By involving the theory of thermally activated flow and the cumulative plastic strain criterion, an effort is made here to model the stage II fatigue crack propagation rate in terms of the dislocation mechanism. The model, therefore, provides capability to ascertain: (1) the dislocation mechanism (and hence the near crack tip microstructures) assisting the crack growth, (2) the relative resistance of dislocation mechanisms to the crack growth, and (3) the fracture surface characteristics and its interpretation in terms of the dislocation mechanism. The local microstructure predicted for the room temperature crack growth in copper by this model is in good agreement with the experimental results taken from the literature. With regard to the relative stability of such dislocation mechanisms as the cross-slip and the dislocation intersection, the model suggests an enhancement of crack growth rate with an ease of cross-slip which in general promotes dislocation cell formation and is common in material which has high stacking fault energy (produces wavy slips). Cross-slip apparently enhances crack growth rate by promoting slip irreversibility and fracture surface brittleness to a greater degree.

Work Hardening, Dislocation Structure, and Load Partitioning in Lath Martensite Determined by In Situ Neutron Diffraction Line Profile Analysis

NASA Astrophysics Data System (ADS)

Harjo, Stefanus; Kawasaki, Takuro; Tomota, Yo; Gong, Wu; Aizawa, Kazuya; Tichy, Geza; Shi, Zengmin; Ungár, Tamas

2017-09-01

A lath martensite steel containing 0.22 mass pct carbon was analyzed in situ during tensile deformation by high-resolution time-of-flight neutron diffraction to clarify the large work-hardening behavior at the beginning of plastic deformation. The diffraction peaks in plastically deformed states exhibit asymmetries as the reflection of redistributions of the stress and dislocation densities/arrangements in two lath packets: soft packet, where the dislocation glides are favorable, and hard packet, where they are unfavorable. The dislocation density was as high as 1015 m-2 in the as-heat-treated state. During tensile straining, the load and dislocation density became different between the two lath packets. The dislocation character and arrangement varied in the hard packet but hardly changed in the soft packet. In the hard packet, dislocations that were mainly screw-type in the as-heat-treated state became primarily edge-type and rearranged towards a dipole character related to constructing cell walls. The hard packet played an important role in the work hardening in martensite, which could be understood by considering the increase in dislocation density along with the change in dislocation arrangement.

Mechanical annealing under low-amplitude cyclic loading in micropillars

NASA Astrophysics Data System (ADS)

Cui, Yi-nan; Liu, Zhan-li; Wang, Zhang-jie; Zhuang, Zhuo

2016-04-01

Mechanical annealing has been demonstrated to be an effective method for decreasing the overall dislocation density in submicron single crystal. However, simultaneously significant shape change always unexpectedly happens under extremely high monotonic loading to drive the pre-existing dislocations out of the free surfaces. In the present work, through in situ TEM experiments it is found that cyclic loading with low stress amplitude can drive most dislocations out of the submicron sample with virtually little change of the shape. The underlying dislocation mechanism is revealed by carrying out discrete dislocation dynamic (DDD) simulations. The simulation results indicate that the dislocation density decreases within cycles, while the accumulated plastic strain is small. By comparing the evolution of dislocation junction under monotonic, cyclic and relaxation deformation, the cumulative irreversible slip is found to be the key factor of promoting junction destruction and dislocation annihilation at free surface under low-amplitude cyclic loading condition. By introducing this mechanics into dislocation density evolution equations, the critical conditions for mechanical annealing under cyclic and monotonic loadings are discussed. Low-amplitude cyclic loading which strengthens the single crystal without seriously disturbing the structure has the potential applications in the manufacture of defect-free nano-devices.

Asymmetric, compressive, SiGe epilayers on Si grown by lateral liquid-phase epitaxy utilizing a distinction between dislocation nucleation and glide critical thicknesses

NASA Astrophysics Data System (ADS)

O'Reilly, Andrew J.; Quitoriano, Nathaniel

2018-01-01

Uniaxially strained Si1-xGex channels have been proposed as a solution for high mobility channels in next-generation MOSFETS to ensure continued device improvement as the benefits from further miniaturisation are diminishing. Previously proposed techniques to deposit uniaxially strained Si1-xGex epilayers on Si (0 0 1) substrates require multiple deposition steps and only yielded thin strips of uniaxially strained films. A lateral liquid-phase epitaxy (LLPE) technique was developed to deposit a blanket epilayer of asymmetrically strained Si97.4Ge2.6 on Si in a single step, where the epilayer was fully strained in the growth direction and 31% strain-relaxed in the orthogonal direction. The LLPE technique promoted the glide of misfit dislocations, which nucleated in a region with an orthogonal misfit dislocation network, into a region where the dislocation nucleation was inhibited. This created an array of parallel misfit dislocations which were the source of the asymmetric strain. By observing the thicknesses at which the dislocation network transitions from orthogonal to parallel and at which point dislocation glide is exhausted, the separate critical thicknesses for dislocation nucleation and dislocation glide can be determined.

Recombination-related properties of a-screw dislocations in GaN: A combined CL, EBIC, TEM study

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

Medvedev, O. S., E-mail: o.s.medvedev@spbu.ru; Mikhailovskii, V. Yu.; IRC for Nanotechnology, Research Park, St.-Petersburg State University

2016-06-17

Cathodoluminescence (CL), electron beam current (EBIC) and transmission electron microscopy (TEM) techniques have been applied to investigate recombination properties and structure of freshly introduced dislocations in low-ohmic GaN crystals. It was confirmed that the only a-screw dislocations exhibited an intense characteristic dislocation-related luminescence (DRL) which persisted up to room temperature and was red-shifted by about 0.3 eV with respect to the band gap energy not only in HVPE but also in MOCVD grown samples. EBIC contrast of the dislocations was found to be temperature independent indicating that the dislocation-related recombination level is situated below 200 meV with respect of conductionmore » band minimum. With the increasing of the magnification of the dislocation TEM cross-sectional images they were found to disappear, probably, due to the recombination enhanced dislocation glide (REDG) under electron beam exposure which was immediately observed in CL investigations on a large scale. The stacking fault ribbon in the core of dissociated a-screw dislocation which form a quantum well for electrons was proposed to play an important role both in DRL spectrum formation and in REDG.« less

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.

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.

Morphological changes in the cervical intervertebral foramen dimensions with unilateral facet joint dislocation.

PubMed

Ebraheim, Nabil A; Liu, Jiayong; Ramineni, Satheesh K; Liu, Xiaochen; Xie, Joe; Hartman, Ryan G; Goel, Vijay K

2009-11-01

Many investigators have conducted studies to determine the biomechanics, causes, complications and treatment of unilateral facet joint dislocation in the cervical spine. However, there is no quantitative data available on morphological changes in the intervertebral foramen of the cervical spine following unilateral facet joint dislocation. These data are important to understand the cause of neurological compromise following unilateral facet joint dislocation. Eight embalmed human cadaver cervical spine specimens ranging from level C1-T1 were used. The nerve roots of these specimens at C5-C6 level were marked by wrapping a 0.12mm diameter wire around them. Unilateral facet dislocation at C5-C6 level was simulated by serially sectioning the corresponding ligamentous structures. A CT scan of the specimens was obtained before and after the dislocation was simulated. A sagittal plane through the centre of the pedicle and facet joint was constructed and used for measurement. The height and area of the intervertebral foramen, the facet joint space, nerve root diameter and area, and vertebral alignment both before and after dislocation were evaluated. The intervertebral foramen area changed from 50.72+/-0.88mm(2) to 67.82+/-4.77mm(2) on the non-dislocated side and from 41.39+/-1.11mm(2) to 113.77+/-5.65mm(2) on the dislocated side. The foraminal heights changed from 9.02+/-0.30mm to 10.52+/-0.50mm on the non-dislocated side and 10.43+/-0.50mm to 17.04+/-0.96mm on the dislocated side. The facet space area in the sagittal plane changed from 6.80+/-0.80mm(2) to 40.02+/-1.40mm(2) on the non-dislocated side. The C-5 anterior displacement showed a great change from 0mm to 5.40+/-0.24mm on the non-dislocated side and from 0mm to 3.42+/-0.20mm on the dislocated side. Neither of the nerve roots on either side showed a significant change in size. The lack of change in nerve root area indicates that the associated nerve injury with unilateral facet joint dislocation is probably due to distraction rather than due to direct nerve root compression.

FAST TRACK COMMUNICATION High rate straining of tantalum and copper

NASA Astrophysics Data System (ADS)

Armstrong, R. W.; Zerilli, F. J.

2010-12-01

High strain rate measurements reported recently for several tantalum and copper crystal/polycrystal materials are shown to follow dislocation mechanics-based constitutive relations, first at lower strain rates, for dislocation velocity control of the imposed plastic deformations and, then at higher rates, transitioning to nano-scale dislocation generation control by twinning or slip. For copper, there is the possibility of added-on slip dislocation displacements to be accounted for from the newly generated dislocations.

The core structure and recombination energy of a copper screw dislocation: a Peierls study

NASA Astrophysics Data System (ADS)

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

2017-09-01

The recombination process of dislocations is central to cross-slip, and transmission through ?3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. We apply a continuous dislocation model, inspired by Peierls and Nabarro, complete with an ab-initio computed ?-surface and continuous units of infinitesimal dislocation slip, towards computing the stress-dependent recombination path of both an isotropic and anisotropic Cu screw dislocation. Under no applied stress, our model reproduces the stacking fault width between Shockley partial dislocations as predicted by discrete linear elasticity. Upon application of a compressive Escaig stress, the two partial dislocations coalesce to a separation of ??. Upon increased loading the edge components of each partial dislocation recede, leaving behind a spread Peierls screw dislocation, indicating the recombined state. We demonstrate that the critical stress required to achieve the recombined state is independent of the shear modulus. Rather the critical recombination stress depends on an energy difference between an unstable fault energy (?) and the intrinsic stacking fault energy (?-?). We report recombination energies of ?W = 0.168 eV/Å and ?W = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. We develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.

Size dependence of yield strength simulated by a dislocation-density function dynamics approach

NASA Astrophysics Data System (ADS)

Leung, P. S. S.; Leung, H. S.; Cheng, B.; Ngan, A. H. W.

2015-04-01

The size dependence of the strength of nano- and micron-sized crystals is studied using a new simulation approach in which the dynamics of the density functions of dislocations are modeled. Since any quantity of dislocations can be represented by a density, this approach can handle large systems containing large quantities of dislocations, which may handicap discrete dislocation dynamics schemes due to the excessive computation time involved. For this reason, pillar sizes spanning a large range, from the sub-micron to micron regimes, can be simulated. The simulation results reveal the power-law relationship between strength and specimen size up to a certain size, beyond which the strength varies much more slowly with size. For specimens smaller than ∼4000b, their strength is found to be controlled by the dislocation depletion condition, in which the total dislocation density remains almost constant throughout the loading process. In specimens larger than ∼4000b, the initial dislocation distribution is of critical importance since the presence of dislocation entanglements is found to obstruct deformation in the neighboring regions within a distance of ∼2000b. This length scale suggests that the effects of dense dislocation clusters are greater in intermediate-sized specimens (e.g. 4000b and 8000b) than in larger specimens (e.g. 16 000b), according to the weakest-link concept.

Edge dislocations as sinks for sub-nanometric radiation induced defects in α-iron

NASA Astrophysics Data System (ADS)

Anento, N.; Malerba, L.; Serra, A.

2018-01-01

The role of edge dislocations as sinks for small radiation induced defects in bcc-Fe is investigated by means of atomistic computer simulation. In this work we investigate by Molecular Statics (T = 0K) the interaction between an immobile dislocation line and defect clusters of small sizes invisible experimentally. The study highlights in particular the anisotropy of the interaction and distinguishes between absorbed and trapped defects. When the considered defect intersects the dislocation glide plane and the distance from the dislocation line to the defect is on the range between 2 nm and 4 nm, either total or partial absorption of the cluster takes place leading to the formation of jogs. Residual defects produced during partial absorption pin the dislocation. By the calculation of stress-strain curves we have assessed the strength of those residues as obstacles for the motion of the dislocation, which is reflected on the unpinning stresses and the binding energies obtained. When the defect is outside this range, but on planes close to the dislocation glide plane, instead of absorption we have observed a capture process. Finally, with a view to introducing explicitly in kinetic Monte Carlo models a sink with the shape of a dislocation line, we have summarized our findings on a table presenting the most relevant parameters, which define the interaction of the dislocation with the defects considered.

Singular orientations and faceted motion of dislocations in body-centered cubic crystals.

PubMed

Kang, Keonwook; Bulatov, Vasily V; Cai, Wei

2012-09-18

Dislocation mobility is a fundamental material property that controls strength and ductility of crystals. An important measure of dislocation mobility is its Peierls stress, i.e., the minimal stress required to move a dislocation at zero temperature. Here we report that, in the body-centered cubic metal tantalum, the Peierls stress as a function of dislocation orientation exhibits fine structure with several singular orientations of high Peierls stress-stress spikes-surrounded by vicinal plateau regions. While the classical Peierls-Nabarro model captures the high Peierls stress of singular orientations, an extension that allows dislocations to bend is necessary to account for the plateau regions. Our results clarify the notion of dislocation kinks as meaningful only for orientations within the plateau regions vicinal to the Peierls stress spikes. These observations lead us to propose a Read-Shockley type classification of dislocation orientations into three distinct classes-special, vicinal, and general-with respect to their Peierls stress and motion mechanisms. We predict that dislocation loops expanding under stress at sufficiently low temperatures, should develop well defined facets corresponding to two special orientations of highest Peierls stress, the screw and the M111 orientations, both moving by kink mechanism. We propose that both the screw and the M111 dislocations are jointly responsible for the yield behavior of BCC metals at low temperatures.

Comparison of dislocation density tensor fields derived from discrete dislocation dynamics and crystal plasticity simulations of torsion

DOE PAGES

Jones, Reese E.; Zimmerman, Jonathan A.; Po, Giacomo; ...

2016-02-01

Accurate simulation of the plastic deformation of ductile metals is important to the design of structures and components to performance and failure criteria. Many techniques exist that address the length scales relevant to deformation processes, including dislocation dynamics (DD), which models the interaction and evolution of discrete dislocation line segments, and crystal plasticity (CP), which incorporates the crystalline nature and restricted motion of dislocations into a higher scale continuous field framework. While these two methods are conceptually related, there have been only nominal efforts focused at the global material response that use DD-generated information to enhance the fidelity of CPmore » models. To ascertain to what degree the predictions of CP are consistent with those of DD, we compare their global and microstructural response in a number of deformation modes. After using nominally homogeneous compression and shear deformation dislocation dynamics simulations to calibrate crystal plasticity ow rule parameters, we compare not only the system-level stress-strain response of prismatic wires in torsion but also the resulting geometrically necessary dislocation density fields. To establish a connection between explicit description of dislocations and the continuum assumed with crystal plasticity simulations we ascertain the minimum length-scale at which meaningful dislocation density fields appear. Furthermore, our results show that, for the case of torsion, that the two material models can produce comparable spatial dislocation density distributions.« less

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

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun

An application of high-energy wide angle synchrotron X-ray diffraction to investigate the tensile deformation of 9Cr ferritic/martensitic (F/M) ODS steel is presented. With tensile loading and in-situ Xray exposure, the lattice strain development of matrix was determined. The lattice strain was found to decrease with increasing temperature, and the difference in Young's modulus of six different reflections at different temperatures reveals the temperature dependence of elastic anisotropy. The mean internal stress was calculated and compared with the applied stress, showing that the strengthening factor increased with increasing temperature, indicating that the oxide nanoparticles have a good strengthening impact at highmore » temperature. The dislocation density and character were also measured during tensile deformation. The dislocation density decreased with increasing of temperature due to the greater mobility of dislocation at high temperature. The dislocation character was determined by best-fit methods for different dislocation average contrasts with various levels of uncertainty. The results shows edge type dislocations dominate the plastic strain at room temperature (RT) and 300 C, while the screw type dislocations dominate at 600 C. The dominance of edge character in 9Cr F/M ODS steels at RT and 300 C is likely due to the pinning effect of nanoparticles for higher mobile edge dislocations when compared with screw dislocations, while the stronger screw type of dislocation structure at 600 C may be explained by the activated cross slip of screw segments.« less

Acetabular cup position and risk of dislocation in primary total hip arthroplasty.

PubMed

Seagrave, Kurt G; Troelsen, Anders; Malchau, Henrik; Husted, Henrik; Gromov, Kirill

2017-02-01

Background and purpose - Hip dislocation is one of the most common complications following total hip arthroplasty (THA). Several factors that affect dislocation have been identified, including acetabular cup positioning. Optimal values for cup inclination and anteversion are debatable. We performed a systematic review to describe the different methods for measuring cup placement, target zones for cup positioning, and the association between cup positioning and dislocation following primary THA. Methods - A systematic search of literature in the PubMed database was performed (January and February 2016) to identify articles that compared acetabular cup positioning and the risk of dislocation. Surgical approach and methods for measurement of cup angles were also considered. Results - 28 articles were determined to be relevant to our research question. Some articles demonstrated that cup positioning influenced postoperative dislocation whereas others did not. The majority of articles could not identify a statistically significant difference between dislocating and non-dislocating THA with regard to mean angles of cup anteversion and inclination. Most of the articles that assessed cup placement within the Lewinnek safe zone did not show a statistically significant reduction in dislocation rate. Alternative target ranges have been proposed by several authors. Interpretation - The Lewinnek safe zone could not be justified. It is difficult to draw broad conclusions regarding a definitive target zone for cup positioning in THA, due to variability between studies and the likely multifactorial nature of THA dislocation. Future studies comparing cup positioning and dislocation rate should investigate surgical approach separately. Standardized tools for measurement of cup positioning should be implemented to allow comparison between studies.

Acetabular cup position and risk of dislocation in primary total hip arthroplasty

PubMed Central

Seagrave, Kurt G; Troelsen, Anders; Malchau, Henrik; Husted, Henrik; Gromov, Kirill

2017-01-01

Background and purpose — Hip dislocation is one of the most common complications following total hip arthroplasty (THA). Several factors that affect dislocation have been identified, including acetabular cup positioning. Optimal values for cup inclination and anteversion are debatable. We performed a systematic review to describe the different methods for measuring cup placement, target zones for cup positioning, and the association between cup positioning and dislocation following primary THA. Methods — A systematic search of literature in the PubMed database was performed (January and February 2016) to identify articles that compared acetabular cup positioning and the risk of dislocation. Surgical approach and methods for measurement of cup angles were also considered. Results— 28 articles were determined to be relevant to our research question. Some articles demonstrated that cup positioning influenced postoperative dislocation whereas others did not. The majority of articles could not identify a statistically significant difference between dislocating and non-dislocating THA with regard to mean angles of cup anteversion and inclination. Most of the articles that assessed cup placement within the Lewinnek safe zone did not show a statistically significant reduction in dislocation rate. Alternative target ranges have been proposed by several authors. Interpretation— The Lewinnek safe zone could not be justified. It is difficult to draw broad conclusions regarding a definitive target zone for cup positioning in THA, due to variability between studies and the likely multifactorial nature of THA dislocation. Future studies comparing cup positioning and dislocation rate should investigate surgical approach separately. Standardized tools for measurement of cup positioning should be implemented to allow comparison between studies. PMID:27879150

Investigation into three dimensional hip anatomy in anterior dislocation after THA. Influence of the position of the hip rotation centre.

PubMed

Sariali, Elhadi; Klouche, Shahnez; Mamoudy, Patrick

2012-07-01

The components position is a major factor under the surgeon's control in determining the risk of dislocation post total hip arthroplasty. The aim of this study was to investigate the proper three-dimensional components position including the centre of rotation in the case of anterior dislocation. Among 1764 consecutive patients who underwent total hip arthroplasty using a direct anterior approach, 27 experienced anterior dislocation. The three-dimensional hip anatomy was investigated in 12 patients who were paired with 12 patients from the same initial cohort who did not experience dislocation and also with 36 control patients with osteoarthritis. A pelvic Cartesian referential was defined to perform the acetabular analysis. The coordinates were expressed as percentages of the pelvic width, height and depth. The anteversion angles were measured. The hip centre of rotation was significantly shifted medially and posteriorly in the dislocation group when compared to the non-dislocation group and also to the control group. There was no significant difference in component angular position between the dislocation-group and the non-dislocation group. However, the stem anteversion in the dislocation group was increased in comparison to the mean natural femoral anteversion of the control group. A medial and posterior displacement of the hip rotation centre was found to correlate to anterior dislocation post total hip arthoplasty. These results suggest the importance of an accurate restoration of the centre of rotation, whilst avoiding an excessive acetabular reaming which may induce a medial and a posterior displacement. III comparative non randomised. Copyright © 2011 Elsevier Ltd. All rights reserved.

Three-dimensional imaging of threading dislocations in GaN crystals using two-photon excitation photoluminescence

NASA Astrophysics Data System (ADS)

Tanikawa, Tomoyuki; Ohnishi, Kazuki; Kanoh, Masaya; Mukai, Takashi; Matsuoka, Takashi

2018-03-01

The three-dimensional imaging of threading dislocations in GaN films was demonstrated using two-photon excitation photoluminescence. The threading dislocations were shown as dark lines. The spatial resolutions near the surface were about 0.32 and 3.2 µm for the in-plane and depth directions, respectively. The threading dislocations with a density less than 108 cm-2 were resolved, although the aberration induced by the refractive index mismatch was observed. The decrease in threading dislocation density was clearly observed by increasing the GaN film thickness. This can be considered a novel method for characterizing threading dislocations in GaN films without any destructive preparations.

Multiphysical simulation analysis of the dislocation structure in germanium single crystals

NASA Astrophysics Data System (ADS)

Podkopaev, O. I.; Artemyev, V. V.; Smirnov, A. D.; Mamedov, V. M.; Sid'ko, A. P.; Kalaev, V. V.; Kravtsova, E. D.; Shimanskii, A. F.

2016-09-01

To grow high-quality germanium crystals is one of the most important problems of growth industry. The dislocation density is an important parameter of the quality of single crystals. The dislocation densities in germanium crystals 100 mm in diameter, which have various shapes of the side surface and are grown by the Czochralski technique, are experimentally measured. The crystal growth is numerically simulated using heat-transfer and hydrodynamics models and the Alexander-Haasen dislocation model in terms of the CGSim software package. A comparison of the experimental and calculated dislocation densities shows that the dislocation model can be applied to study lattice defects in germanium crystals and to improve their quality.

Ligamentous and capsular injuries to the metacarpophalangeal joints of the hand.

PubMed

Shah, Smiresh Suresh; Techy, Fernando; Mejia, Alfonso; Gonzalez, Mark H

2012-01-01

The mechanism of dorsal dislocation of the metacarpophalangeal (MCP) joint is with forced hyperextension of the joint and the main structure injured is the volar plate. A simple dislocation can be reduced by closed means whereas a complex dislocation cannot. Care must be taken not to put traction across the joint, which may cause the volar plate to slip into the joint, converting a simple dislocation into a complex dislocation. Volar dislocations are rare and mainly treated nonoperatively. Sagittal band injuries can be treated with extension splinting or surgical management with direct repair or reconstruction. A locked MCP joint can usually be treated with closed manipulation. This article discusses these injuries and management options.

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

Li, Mingda; Cui, Wenping; Dresselhaus, Mildred S.

Crystal dislocations govern the plastic mechanical properties of materials but also affect the electrical and optical properties. However, a fundamental and quantitative quantum field theory of a dislocation has remained undiscovered for decades. Here in this article we present an exactly-solvable one-dimensional quantum field theory of a dislocation, for both edge and screw dislocations in an isotropic medium, by introducing a new quasiparticle which we have called the ‘dislon’. The electron-dislocation relaxation time can then be studied directly from the electron self-energy calculation, which is reducible to classical results. In addition, we predict that the electron energy will experience anmore » oscillation pattern near a dislocation. Compared with the electron density’s Friedel oscillation, such an oscillation is intrinsically different since it exists even with only single electron is present. With our approach, the effect of dislocations on materials’ non-mechanical properties can be studied at a full quantum field theoretical level.« less

Chronic Irreducible Anterior Dislocation of the Shoulder without Significant Functional Deficit.

PubMed

Chung, Hoejeong; Yoon, Yeo-Seung; Shin, Ji-Soo; Shin, John Junghun; Kim, Doosup

2016-09-01

Shoulder dislocation is frequently encountered by orthopedists, and closed manipulation is often sufficient to treat the injury in an acute setting. Although most dislocations are diagnosed and managed promptly, there are rare cases that are missed or neglected, leading to a chronically dislocated state of the joint. They are usually irreducible and cause considerable pain and functional disability in most affected patients, prompting the need to find a surgical method to reverse the worsening conditions caused by the dislocated joint. However, there are cases of even greater rarity in which chronic shoulder dislocations are asymptomatic with minimal functional or structural degeneration in the joint. These patients are usually left untreated, and most show good tolerance to their condition without developing disabling symptoms or significant functional loss over time. We report on one such patient who had a chronic shoulder dislocation for more than 2 years without receiving treatment.

Modelling crystal plasticity by 3D dislocation dynamics and the finite element method: The Discrete-Continuous Model revisited

NASA Astrophysics Data System (ADS)

Vattré, A.; Devincre, B.; Feyel, F.; Gatti, R.; Groh, S.; Jamond, O.; Roos, A.

2014-02-01

A unified model coupling 3D dislocation dynamics (DD) simulations with the finite element (FE) method is revisited. The so-called Discrete-Continuous Model (DCM) aims to predict plastic flow at the (sub-)micron length scale of materials with complex boundary conditions. The evolution of the dislocation microstructure and the short-range dislocation-dislocation interactions are calculated with a DD code. The long-range mechanical fields due to the dislocations are calculated by a FE code, taking into account the boundary conditions. The coupling procedure is based on eigenstrain theory, and the precise manner in which the plastic slip, i.e. the dislocation glide as calculated by the DD code, is transferred to the integration points of the FE mesh is described in full detail. Several test cases are presented, and the DCM is applied to plastic flow in a single-crystal Nickel-based superalloy.

First-time anterior shoulder dislocations: should they be arthroscopically stabilised?

PubMed Central

Sedeek, Sedeek Mohamed; Bin Abd Razak, Hamid Rahmatullah; Ee, Gerard WW; Tan, Andrew HC

2014-01-01

The glenohumeral joint is inherently unstable because the large humeral head articulates with the small shadow glenoid fossa. Traumatic anterior dislocation of the shoulder is a relatively common athletic injury, and the high frequency of recurrent instability in young athletes after shoulder dislocation is discouraging to both the patient and the treating physician. Management of primary traumatic shoulder dislocation remains controversial. Traditionally, treatment involves initial immobilisation for 4–6 weeks, followed by functional rehabilitation. However, in view of the high recurrence rates associated with this traditional approach, there has been an escalating interest in determining whether immediate surgical intervention can lower the rate of recurrent shoulder dislocation, improving the patient’s quality of life. This review article aims to provide an overview of the nature and pathogenesis of first-time primary anterior shoulder dislocations, the widely accepted management modalities, and the efficacy of primary surgical intervention in first-time primary anterior shoulder dislocations. PMID:25631890

Dislocation Ledge Sources: Dispelling the Myth of Frank-Read Source Importance

NASA Astrophysics Data System (ADS)

Murr, L. E.

2016-12-01

In the early 1960s, J.C.M. Li questioned the formation of dislocation pileups at grain boundaries, especially in high-stacking-fault free-energy fcc metals and alloys, and proposed grain boundary ledge sources for dislocations in contrast to Frank -Read sources. This article reviews these proposals and the evolution of compelling evidence for grain boundary or related interfacial ledge sources of dislocations in metals and alloys, including unambiguous observations using transmission electron microscopy. Such observations have allowed grain boundary ledge source emission profiles of dislocations to be quantified in 304 stainless steel (with a stacking-fault free energy of 23 mJ/m2) and nickel (with a stacking-fault free energy of 128 mJ/m2) as a function of engineering strain. The evidence supports the conclusion that FR dislocation sources are virtually absent in metal and alloy deformation with ledges at interfaces dominating as dislocation sources.

An Eulerian/Lagrangian coupling procedure for three-dimensional vortical flows

NASA Technical Reports Server (NTRS)

Felici, Helene M.; Drela, Mark

1993-01-01

A coupled Eulerian/Lagrangian method is presented for the reduction of numerical diffusion observed in solutions of 3D vortical flows using standard Eulerian finite-volume time-marching procedures. A Lagrangian particle tracking method, added to the Eulerian time-marching procedure, provides a correction of the Eulerian solution. In turn, the Eulerian solution is used to integrate the Lagrangian state-vector along the particles trajectories. While the Eulerian solution ensures the conservation of mass and sets the pressure field, the particle markers describe accurately the convection properties and enhance the vorticity and entropy capturing capabilities of the Eulerian solver. The Eulerian/Lagrangian coupling strategies are discussed and the combined scheme is tested on a constant stagnation pressure flow in a 90 deg bend and on a swirling pipe flow. As the numerical diffusion is reduced when using the Lagrangian correction, a vorticity gradient augmentation is identified as a basic problem of this inviscid calculation.

A two-equation model for heat transport in wall turbulent shear flows

NASA Astrophysics Data System (ADS)

Nagano, Y.; Kim, C.

1988-08-01

A new proposal for closing the energy equation is presented at the two-equation level of turbulence modeling. The eddy diffusivity concept is used in modeling. However, just as the eddy viscosity is determined from solutions of the k and epsilon equations, so the eddy diffusivity for heat is given as functions of temperature variance, and the dissipation rate of temperature fluctuations, together with k and epsilon. Thus, the proposed model does not require any questionable assumptions for the 'turbulent Prandtl number'. Modeled forms of the equations are developed to account for the physical effects of molecular Prandtl number and near-wall turbulence. The model is tested by application to a flat-plate boundary layer, the thermal entrance region of a pipe, and the turbulent heat transfer in fluids over a wide range of the Prandtl number. Agreement with the experiment is generally very satisfactory.

20 CFR 663.105 - When must adults and dislocated workers be registered?

Code of Federal Regulations, 2012 CFR

2012-04-01

... 20 Employees' Benefits 4 2012-04-01 2012-04-01 false When must adults and dislocated workers be... LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated Worker Services Through the One-Stop Delivery System § 663.105 When must...

20 CFR 663.105 - When must adults and dislocated workers be registered?

Code of Federal Regulations, 2014 CFR

2014-04-01

... 20 Employees' Benefits 4 2014-04-01 2014-04-01 false When must adults and dislocated workers be... LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated Worker Services Through the One-Stop Delivery System § 663.105 When must...

20 CFR 663.105 - When must adults and dislocated workers be registered?

Code of Federal Regulations, 2013 CFR

2013-04-01

... 20 Employees' Benefits 4 2013-04-01 2013-04-01 false When must adults and dislocated workers be... LABOR (CONTINUED) ADULT AND DISLOCATED WORKER ACTIVITIES UNDER TITLE I OF THE WORKFORCE INVESTMENT ACT Delivery of Adult and Dislocated Worker Services Through the One-Stop Delivery System § 663.105 When must...

Effect of alloying on screw dislocation structure in Mo: atomistic modelling approach with ab-initio parametrization

NASA Astrophysics Data System (ADS)

Gornostyrev, Yu. N.

2005-03-01

The plastic deformation in bcc metals is realized by the motion of screw dislocations with a complex star-like non-planar core. In this case, the direct investigation of the solute effect by first principles electronic structure calculations is a challenging problem for which we follow a combined approach that includes atomistic dislocation modelling with ab-initio parametrization of interatomic interactions. The screw dislocation core structure in Mo alloys is described within the model of atomic row displacements along a dislocation line with the interatomic row potential estimated from total energy full-potential linear muffin-tin orbital (FLMTO) calculations with the generalized gradient approximation (GGA) for the exchange-correlation potential. We demonstrate (1) that the solute effect on the dislocation structure is different for ``hard'' and ``easy'' cores and (2) that the softener addition in a ``hard'' core gives rise to a structural transformation into a configuration with a lower energy through an intermediate state. The softener solute is shown to disturb locally the three-fold symmetry of the dislocation core and the dislocation structure tends to the split planar core.

Hollow-core screw dislocations in 6H-SiC single crystals: A test of Frank`s theory

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

Si, W.; Dudley, M.; Glass, R.

1997-03-01

Hollow-core screw dislocations, also known as `micropipes`, along the [0001] axis in 6H-SiC single crystals, have been studied by synchrotron white beam x-ray topography (SWBXT), scanning electron microscopy (SEM), and Nomarski optical microscopy (NOM). Using SWBXT, the magnitude of the burgers vector of screw dislocations has been determined by measuring the following four parameters: (1) the diameter of dislocation images in back-reflection topographs; (2) the width of bimodal dislocation images in transmission topographs; (3) the magnitude of the tilt of lattice planes on both sides of dislocation core in projection topographs; and (4) the magnitude of the tilt of latticemore » planes in section topographs. The four methods show good agreement. The burgers vector magnitude of screw dislocations, b, and the diameter of associated micropipes, D, were fitted to Frank`s prediction for hollow-core screw dislocations: D = {mu}b{sup 2}/4{pi}{sup 2}{gamma}, where {mu} is shear modulus, and {gamma} is specific surface energy. 15 refs., 17 figs.« less

Kinetics of transformation of deformation processed gold-matrix composite

NASA Astrophysics Data System (ADS)

Wongpreedee, Kageeporn

Gold matrix Ḏeformation-processed M&barbelow;etal M&barbelow;etal C&barbelow;omposites (DMMC) have been developed that have better strength and conductivity than conventional gold alloys. However, DMMC possess metastable two-phase microstructures, and their strength and conductivity decrease after prolonged exposure to elevated temperatures. The kinetics of the transformation from the metastable two-phase microstructure to the equilibrium single-phase solid solution is of interest. This document describes a study of the elevated temperature stability of Au DMMC's and the relationship between microstructure and resistivity of three compositions: Au-7 vol %Ag, Au-14 vol %Ag, and Au-vol 7%Pt. DMMC samples were prepared by a powder metallurgy technique and mechanical processes. The smallest final diameter of these wires was 120 mum. Avrami and Arrhenius relations were used to evaluate the kinetic transformation. The extensive deformation used to produce these composites reshaped the initially equi-axed powder particles into a nanofilamentary composite. Electrical resistivity measurements were used to determine the degree of transformation from the initial metastable nano-filamentary composite to the equilibrium solid solution condition. These measurements indicated that this transformation in Au-14 at%Ag, Au-7 at %Ag Au and Au-7 at %Pt DMMC wires proceeded with activation energies of 141, 156, and 167 kJ/mol, respectively. It is thought that these empirically determined activation energies differ from those determined in single crystal, planar interface Au-Ag and Au-Pt diffusion couples due to chemical potential, surface curvature, and strain effects. The DMMC systems reach the equilibrium solid solution condition faster than single crystal, planar interface systems for two reasons: (1) far more defects (dislocations, grain boundaries, vacancies from non-conservative dislocation motion, etc.) are present in the Au-Ag and Au-Pt DMMC composites, and (2) the small radius of curvature of the Ag and Pt filaments increases the chemical potential for diffusion in the DMMC.

Statistics of dislocation pinning at localized obstacles

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

Dutta, A.; Bhattacharya, M., E-mail: mishreyee@vecc.gov.in; Barat, P.

2014-10-14

Pinning of dislocations at nanosized obstacles like precipitates, voids, and bubbles is a crucial mechanism in the context of phenomena like hardening and creep. The interaction between such an obstacle and a dislocation is often studied at fundamental level by means of analytical tools, atomistic simulations, and finite element methods. Nevertheless, the information extracted from such studies cannot be utilized to its maximum extent on account of insufficient information about the underlying statistics of this process comprising a large number of dislocations and obstacles in a system. Here, we propose a new statistical approach, where the statistics of pinning ofmore » dislocations by idealized spherical obstacles is explored by taking into account the generalized size-distribution of the obstacles along with the dislocation density within a three-dimensional framework. Starting with a minimal set of material parameters, the framework employs the method of geometrical statistics with a few simple assumptions compatible with the real physical scenario. The application of this approach, in combination with the knowledge of fundamental dislocation-obstacle interactions, has successfully been demonstrated for dislocation pinning at nanovoids in neutron irradiated type 316-stainless steel in regard to the non-conservative motion of dislocations. An interesting phenomenon of transition from rare pinning to multiple pinning regimes with increasing irradiation temperature is revealed.« less

Surface stress mediated image force and torque on an edge dislocation

NASA Astrophysics Data System (ADS)

Raghavendra, R. M.; Divya, Iyer, Ganesh; Kumar, Arun; Subramaniam, Anandh

2018-07-01

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the 'climb image force' symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive 'climb geometry', arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth's idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.

A dislocation-based crystal plasticity framework for dynamic ductile failure of single crystals

DOE PAGES

Nguyen, Thao; Luscher, D. J.; Wilkerson, J. W.

2017-08-02

We developed a framework for dislocation-based viscoplasticity and dynamic ductile failure to model high strain rate deformation and damage in single crystals. The rate-dependence of the crystal plasticity formulation is based on the physics of relativistic dislocation kinetics suited for extremely high strain rates. The damage evolution is based on the dynamics of void growth, which are governed by both micro-inertia as well as dislocation kinetics and dislocation substructure evolution. Furthermore, an averaging scheme is proposed in order to approximate the evolution of the dislocation substructure in both the macroscale as well as its spatial distribution at the microscale. Inmore » addition, a concept of a single equivalent dislocation density that effectively captures the collective influence of dislocation density on all active slip systems is proposed here. Together, these concepts and approximations enable the use of semi-analytic solutions for void growth dynamics developed in [J. Wilkerson and K. Ramesh. A dynamic void growth model governed by dislocation kinetics. J. Mech. Phys. Solids, 70:262–280, 2014.], which greatly reduce the computational overhead that would otherwise be required. The resulting homogenized framework has been implemented into a commercially available finite element package, and a validation study against a suite of direct numerical simulations was carried out.« less