Influence of dislocation density on internal quantum efficiency of GaN-based semiconductors

NASA Astrophysics Data System (ADS)

Yu, Jiadong; Hao, Zhibiao; Li, Linsen; Wang, Lai; Luo, Yi; Wang, Jian; Sun, Changzheng; Han, Yanjun; Xiong, Bing; Li, Hongtao

2017-03-01

By considering the effects of stress fields coming from lattice distortion as well as charge fields coming from line charges at edge dislocation cores on radiative recombination of exciton, a model of carriers' radiative and non-radiative recombination has been established in GaN-based semiconductors with certain dislocation density. Using vector average of the stress fields and the charge fields, the relationship between dislocation density and the internal quantum efficiency (IQE) is deduced. Combined with related experimental results, this relationship is fitted well to the trend of IQEs of bulk GaN changing with screw and edge dislocation density, meanwhile its simplified form is fitted well to the IQEs of AlGaN multiple quantum well LEDs with varied threading dislocation densities but the same light emission wavelength. It is believed that this model, suitable for different epitaxy platforms such as MOCVD and MBE, can be used to predict to what extent the luminous efficiency of GaN-based semiconductors can still maintain when the dislocation density increases, so as to provide a reasonable rule of thumb for optimizing the epitaxial growth of GaN-based devices.

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.

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.

Molecular dynamics simulations of thermally activated edge dislocation unpinning from voids in α -Fe

NASA Astrophysics Data System (ADS)

Byggmästar, J.; Granberg, F.; Nordlund, K.

2017-10-01

In this study, thermal unpinning of edge dislocations from voids in α -Fe is investigated by means of molecular dynamics simulations. The activation energy as a function of shear stress and temperature is systematically determined. Simulations with a constant applied stress are compared with dynamic simulations with a constant strain rate. We found that a constant applied stress results in a temperature-dependent activation energy. The temperature dependence is attributed to the elastic softening of iron. If the stress is normalized with the softening of the specific shear modulus, the activation energy is shown to be temperature-independent. From the dynamic simulations, the activation energy as a function of critical shear stress was determined using previously developed methods. The results from the dynamic simulations are in good agreement with the constant stress simulations, after the normalization. This indicates that the computationally more efficient dynamic method can be used to obtain the activation energy as a function of stress and temperature. The obtained relation between stress, temperature, and activation energy can be used to introduce a stochastic unpinning event in larger-scale simulation methods, such as discrete dislocation dynamics.

Influence of basal-plane dislocation structures on expansion of single Shockley-type stacking faults in forward-current degradation of 4H-SiC p-i-n diodes

NASA Astrophysics Data System (ADS)

Hayashi, Shohei; Yamashita, Tamotsu; Senzaki, Junji; Miyazato, Masaki; Ryo, Mina; Miyajima, Masaaki; Kato, Tomohisa; Yonezawa, Yoshiyuki; Kojima, Kazutoshi; Okumura, Hajime

2018-04-01

The origin of expanded single Shockley-type stacking faults in forward-current degradation of 4H-SiC p-i-n diodes was investigated by the stress-current test. At a stress-current density lower than 25 A cm-2, triangular stacking faults were formed from basal-plane dislocations in the epitaxial layer. At a stress-current density higher than 350 A cm-2, both triangular and long-zone-shaped stacking faults were formed from basal-plane dislocations that converted into threading edge dislocations near the interface between the epitaxial layer and the substrate. In addition, the conversion depth of basal-plane dislocations that expanded into the stacking fault was inside the substrate deeper than the interface. These results indicate that the conversion depth of basal-plane dislocations strongly affects the threshold stress-current density at which the expansion of stacking faults occurs.

Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2-screw and edge [100] dislocations.

PubMed

Goryaeva, Alexandra M; Carrez, Philippe; Cordier, Patrick

In this study, we propose a full atomistic study of [100] dislocations in MgSiO 3 post-perovskite based on the pairwise potential parameterized by Oganov et al. (Phys Earth Planet Inter 122:277-288, 2000) for MgSiO 3 perovskite. We model screw dislocations to identify planes where they glide easier. We show that despite a small tendency to core spreading in {011}, [100] screw dislocations glide very easily (Peierls stress of 1 GPa) in (010) where only Mg-O bonds are to be sheared. Crossing the Si-layers results in a higher lattice friction as shown by the Peierls stress of [100](001): 17.5 GPa. Glide of [100] screw dislocations in {011} appears also to be highly unfavorable. Whatever the planes, (010), (001) or {011}, edge dislocations are characterized by a wider core (of the order of 2 b ). Contrary to screw character, they bear negligible lattice friction (0.1 GPa) for each slip system. The layered structure of post-perovskite results in a drastic reduction in lattice friction opposed to the easiest slip systems compared to perovskite.

Epitaxial strain relaxation by provoking edge dislocation dipoles

NASA Astrophysics Data System (ADS)

Soufi, A.; El-Hami, K.

2018-02-01

Thin solid films have been used in various devices and engineering systems such as rapid development of highly integrated electronic circuits, the use of surface coatings to protect structural materials in high temperature environments, and thin films are integral parts of many micro-electro-mechanical systems designed to serve as sensors, actuators. Among techniques of ultra-thin films deposition, the heteroepitaxial method becomes the most useful at nanoscale level to obtain performed materials in various applications areas. On the other hand, stresses that appeared during the elaboration of thin films could rise deformations and fractures in materials. The key solution to solve this problem at the nanoscale level is the nucleation of interface dislocations from free surfaces. By provoking edge dislocation dipoles we obtained a strain relaxation in thin films. Moreover, the dynamic of nucleation in edge dislocations from free lateral surfaces was also studied.

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.

Solute effects on edge dislocation pinning in complex alpha-Fe alloys

NASA Astrophysics Data System (ADS)

Pascuet, M. I.; Martínez, E.; Monnet, G.; Malerba, L.

2017-10-01

Reactor pressure vessel steels are well-known to harden and embrittle under neutron irradiation, mainly because of the formation of obstacles to the motion of dislocations, in particular, precipitates and clusters composed of Cu, Ni, Mn, Si and P. In this paper, we employ two complementary atomistic modelling techniques to study the heterogeneous precipitation and segregation of these elements and their effects on the edge dislocations in BCC iron. We use a special and highly computationally efficient Monte Carlo algorithm in a constrained semi-grand canonical ensemble to compute the equilibrium configurations for solute clusters around the dislocation core. Next, we use standard molecular dynamics to predict and analyze the effect of this segregation on the dislocation mobility. Consistently with expectations our results confirm that the required stress for dislocation unpinning from the precipitates formed on top of it is quite large. The identification of the precipitate resistance allows a quantitative treatment of atomistic results, enabling scale transition towards larger scale simulations, such as dislocation dynamics or phase field.

Damage buildup and edge dislocation mobility in equiatomic multicomponent alloys

NASA Astrophysics Data System (ADS)

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

2017-02-01

A new class of single phase metal alloys of equal atomic concentrations has shown very promising mechanical properties and good corrosion resistance. Moreover, a significant reduction in damage accumulation during prolonged irradiation has also been observed in these equiatomic multicomponent alloys. A comparison of elemental Ni with the two component NiFe- and the three component NiCoCr-alloy showed a substantial reduction in damage in both alloys, and an even larger difference was seen if only larger clusters were considered. One of the factors limiting the damage build-up in the alloys compared to the elemental material was seen to be dislocation mobility (Granberg et al., 2016). In this Article, we focus on a more thorough investigation of the mobility of edge dislocations in different cases of the Ni-, NiFe- and NiCoCr-samples. We find that even though the saturated amount of defects in the alloys is lower than in elemental Ni, the defect buildup in the early stages is faster in the alloys. We also find that the dislocation mobility in NiFe is lower than in Ni, at low stresses, and that the onset stress in NiFe is higher than in Ni. The same phenomenon was seen in comparison between NiFe and NiCoCr, since the three component alloy had lower dislocation mobility and higher onset stress. The dislocation velocity in elemental Ni plateaued out just under the forbidden velocity, whereas the alloys showed a more complex behaviour.

The core structure and recombination energy of a copper screw dislocation: a Peierls study

DOE PAGES

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

2017-05-19

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, 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,more » the two partial dislocations coalesce to a separation of ~|b|. 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 (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

The core structure and recombination energy of a copper screw dislocation: a Peierls study

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

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

The recombination process of dislocations is central to cross-slip, and transmission through Σ3 grain boundaries among other fundamental plastic deformation processes. Despite its importance, a detailed mechanistic understanding remains lacking. In this paper, 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,more » the two partial dislocations coalesce to a separation of ~|b|. 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 (γτ) and the intrinsic stacking fault energy (γτ-γisf). We report recombination energies of ΔW = 0.168 eV/Å and ΔW = 0.084 eV/Å, respectively, for the Cu screw dislocation within isotropic and anisotropic media. Finally, we develop an analytic model which provides insight into our simulation results which compare favourably with other (similar) models.« less

Appearance of singularities of optical fields under torsion of crystals containing threefold symmetry axes.

PubMed

Skab, Ihor; Vasylkiv, Yurij; Zapeka, Bohdan; Savaryn, Viktoriya; Vlokh, Rostyslav

2011-07-01

We present an analysis of the effect of torsion stresses on the spatial distribution of optical birefringence in crystals of different point symmetry groups. The symmetry requirements needed so that the optical beam carries dislocations of the phase front are evaluated for the case when the crystals are twisted and the beam closely corresponds to a plane wave. It is shown that the torsion stresses can produce screw-edge, pure screw, or pure edge dislocations of the phase front in the crystals belonging to cubic and trigonal systems. The conditions for appearance of canonical and noncanonical vortices in the conditions of crystal torsion are analyzed. © 2011 Optical Society of America

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.

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

Line and point defects in nonlinear anisotropic solids

NASA Astrophysics Data System (ADS)

Golgoon, Ashkan; Yavari, Arash

2018-06-01

In this paper, we present some analytical solutions for the stress fields of nonlinear anisotropic solids with distributed line and point defects. In particular, we determine the stress fields of (i) a parallel cylindrically symmetric distribution of screw dislocations in infinite orthotropic and monoclinic media, (ii) a cylindrically symmetric distribution of parallel wedge disclinations in an infinite orthotropic medium, (iii) a distribution of edge dislocations in an orthotropic medium, and (iv) a spherically symmetric distribution of point defects in a transversely isotropic spherical ball.

Atomistic simulations of dislocation dynamics in δ-Pu-Ga alloys

NASA Astrophysics Data System (ADS)

Karavaev, A. V.; Dremov, V. V.; Ionov, G. V.

2017-12-01

Molecular dynamics with the modified embedded atom model (MEAM) for interatomic interaction is applied to direct simulations of dislocation dynamics in fcc δ-phase Pu-Ga alloys. First, parameters of the MEAM potential are fitted to accurately reproduce experimental phonon dispersion curves and phonon density of states at ambient conditions. Then the stress-velocity dependence for edge dislocations as well as Pierls stress are obtained in direct MD modeling of dislocation motion using the shear stress relaxation technique. The simulations are performed for different gallium concentrations and the dependence of static yield stress on Ga concentration derived demonstrates good agreement with experimental data. Finally, the influence of radiation defects (primary radiation defects, nano-pores, and radiogenic helium bubbles) on dislocation dynamics is investigated. It is demonstrated that uniformly distributed vacancies and nano-pores have little effect on dislocation dynamics in comparison with that of helium bubbles. The results of the MD simulations evidence that the accumulation of the radiogenic helium in the form of nanometer-sized bubbles is the main factor affecting strength properties during long-term storage. The calculated dependence of static yield stress on helium bubbles concentration for fcc Pu 1 wt .% Ga is in good agreement with that obtained in experiments on accelerated aging. The developed technique of static yield stress evaluation is applicable to δ-phase Pu-Ga alloys with arbitrary Ga concentrations.

Trapping of edge dislocations by a moving smectic-A smectic-B interface

NASA Astrophysics Data System (ADS)

Oswald, P.; Lejcek, L.

1991-09-01

We analyze how the motion of the edge dislocations of the smectic-A liquid crystal allows the system to relax plastically the stresses that are generated during the growth of the smectic-B plastic crystal. These stresses are both due, to the density difference between the two phases, and to the layer thickness variation at the phase transition. In particular, we calculate under which conditions a dislocation can be trapped by the smectic-B phase. Finally, we suggest that this dynamical trapping is responsible for the very large amount of stacking faults observed by X-ray diffraction. Nous analysons comment le mouvement des dislocations coin du cristal liquide smectique A permet de relaxer plastiquement les contraintes induites par la croissance du cristal plastique smectique B. Ces contraintes sont engendrées à la fois par la différence de densité qui existe entre les deux phases et par la variation d'épaisseur des couches à la transition. Nous calculons en particulier dans quelles conditions une dislocation coin peut être piégée par le smectique B. Enfin, nous suggérons que ce piégeage dynamique est à l'origine de la très forte densité de fautes d'empilement qui est couramment observée aux rayons X dans la phase B.

Mixed-mode singularity and temperature effects on dislocation nucleation in strained interconnects

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

Lee, Jinhaeng; Gao, Yanfei

2011-01-01

Dislocations can be nucleated from sharp geometric features in strained interconnects due to thermal expansion coefficient mismatch, lattice mismatch, or stresses that arise during material processing. The asymptotic stress fields near the edge root can be described by mixed-mode singularities, which depend on the dihedral angle and material properties, and a transverse T-stress, which depends on how residual stress is realized in the interconnects. The critical condition for stress nucleation can be determined when an appropriate measure of the stress intensity factors (SIFs) reaches a critical value. Such a method, however, does not offer an explicit picture of the dislocationmore » nucleation process so that it has difficulties in studying complicated structures, mode mixity effects, and more importantly the temperature effects. Based on the Peierls concept, a dislocation can be described by a continuous slip field, and the dislocation nucleation condition corresponds when the total potential energy reaches a stationary state. Through implementing this ad hoc interface model into a finite element framework, it is found that dislocation nucleation becomes more difficult with the increase of mode mixity and T-stress, or the decrease of the width-to-height ratio of the surface pad, while the shape of the surface pad, being a square or a long line, plays a less important role. The Peierls dislocation model also allows us to determine the activation energy, which is the energy needed for the thermal activation of a dislocation when the applied load is lower than the athermal critical value. The calculated saddle point configuration compares favorably the molecular simulations in literature. Suggestions on making immortal strained interconnects are provided.« less

Cyclic deformation of NI/sub 3/(Al,Nb) single crystals at ambient and elevated temperatures

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

Bonda, N.R.

Cyclic tests were performed on Ni/sub 3/(Al,Nb) (..gamma..' phase) single crystals by using a servo-hydraulic machine under fully reversed plastic strain control at a frequency of 0.1-0.2 Hz at room temperature, 400/sup 0/C and 700/sup 0/C. Since the monotonic behavior is orientation dependent, three orientations were studied. Asymmetry in tensile and compressive stresses was observed in the cyclic hardening curves of specimens tested at these temperatures and they were discussed with regard to the model suggested by Paider et al for monotonic behavior. The stress levels in the cyclic stress-strain curves (CSSC) at room temperature depended on orientation and cyclicmore » history. No CSSCs were established at 400/sup 0/C and 700/sup 0/C. The deformation in cyclic tests at small plastic strain amplitudes was found to be different from that in monotonic tests in the microplastic regions in which the deformation is believed to be carried by a small density of edge dislocations. But in cyclic deformation, to and from motion of dislocations trap the edge dislocations into dipoles and therefore screw dislocations will be forced to participate in the deformation. Cracks on the surfaces of specimens tested at room temperature and 400/sup 0/C were found to be of stage I type, whereas at 700/sup 0/C, they were of stage II type.« less

Three-dimensional evaluation of gettering ability for oxygen atoms at small-angle tilt boundaries in Czochralski-grown silicon crystals

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

Ohno, Yutaka, E-mail: yutakaohno@imr.tohoku.ac.jp; Inoue, Kaihei; Fujiwara, Kozo

2015-06-22

Three-dimensional distribution of oxygen atoms at small-angle tilt boundaries (SATBs) in Czochralski-grown p-type silicon ingots was investigated by atom probe tomography combined with transmission electron microscopy. Oxygen gettering along edge dislocations composing SATBs, post crystal growth, was observed. The gettering ability of SATBs would depend both on the dislocation strain and on the dislocation density. Oxygen atoms would agglomerate in the atomic sites under the tensile hydrostatic stress larger than about 2.0 GPa induced by the dislocations. It was suggested that the density of the atomic sites, depending on the tilt angle of SATBs, determined the gettering ability of SATBs.

Internal stresses, dislocation mobility and ductility

NASA Astrophysics Data System (ADS)

Saada, G.

1991-06-01

The description of plastic deformation must take into account individual mechanisms and heterogeneity of plastic strain. Influence of dislocation interaction with forest dislocations and of cross slip are connected with the organization of dipole walls. The latter are described and their development is explained as a consequence of edge effects. Applications are discussed. La description de la déformation plastique doit prendre en compte les interactions individuelles des dislocations et l'hétérogénéité à grande échelle de la déformation plastique. Les interactions des dislocations mobiles avec la forêt de dislocations, le glissement dévié, ont pour effet la création de parois dipolaires. Celles-ci sont décrites et leur développement est appliqué à partir des effets de bord.

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.

Possible origin of the discrepancy in Peierls stresses of fcc metals: First-principles simulations of dislocation mobility in aluminum

NASA Astrophysics Data System (ADS)

Shin, Ilgyou; Carter, Emily A.

2013-08-01

Dislocation motion governs the strength and ductility of metals, and the Peierls stress (σp) quantifies dislocation mobility. σp measurements carry substantial uncertainty in face-centered cubic (fcc) metals, and σp values can differ by up to two orders of magnitude. We perform first-principles simulations based on orbital-free density functional theory (OFDFT) to calculate the most accurate currently possible σp for the motion of (1)/(2)<110>111 dislocations in fcc Al. We predict the σps of screw and edge dislocations (dissociated in their equilibrium state) to be 1.9×10-4G and 4.9×10-5G, respectively (G is the shear modulus). These values fall within the range of measurements from mechanical deformation tests (10-4-10-5G). OFDFT also finds a new metastable structure for a screw dislocation not seen in earlier simulations, in which a dislocation core on the glide plane does not dissociate into partials. The corresponding σp for this undissociated dislocation is predicted to be 1.1×10-2G, which agrees with typical Bordoni peak measurements (10-2-10-3G). The calculated σps for dissociated and undissociated screw dislocations differ by two orders of magnitude. The presence of undissociated, as well as dissociated, screw dislocations may resolve the decades-long mystery in fcc metals regarding the two orders of magnitude discrepancy in σp measurements.

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.

Size effects on plasticity and fatigue microstructure evolution in FCC single crystals

NASA Astrophysics Data System (ADS)

El-Awady, Jaafar Abbas

In aircraft structures and engines, fatigue damage is manifest in the progressive emergence of distributed surface cracks near locations of high stress concentrations. At the present time, reliable methods for prediction of fatigue crack initiation are not available, because the phenomenon starts at the atomic scale. Initiation of fatigue cracks is associated with the formation of Persistent slip bands (PSBs), which start at certain critical conditions inside metals with specific microstructure dimensions. The main objective of this research is to develop predictive computational capabilities for plasticity and fatigue damage evolution in finite volumes. In that attempt, a dislocation dynamics model that incorporates the influence of free and internal interfaces on dislocation motion is presented. The model is based on a self-consistent formulation of 3-D Parametric Dislocation Dynamics (PDD) with the Boundary Element method (BEM) to describe dislocation motion, and hence microscopic plastic flow in finite volumes. The developed computer models are bench-marked by detailed comparisons with the experimental data, developed at the Wright-Patterson Air Force Lab (WP-AFRL), by three dimensional large scale simulations of compression loading on micro-scale samples of FCC single crystals. These simulation results provide an understanding of plastic deformation of micron-size single crystals. The plastic flow characteristics as well as the stress-strain behavior of simulated micropillars are shown to be in general agreement with experimental observations. New size scaling aspects of plastic flow and work-hardening are identified through the use of these simulations. The flow strength versus the diameter of the micropillar follows a power law with an exponent equal to -0.69. A stronger correlation is observed between the flow strength and the average length of activated dislocation sources. This relationship is again a power law, with an exponent -0.85. Simulation results with and without the activation of cross-slip are compared. Discontinuous hardening is observed when cross-slip is included. Experimentally-observed size effects on plastic flow and work- hardening are consistent with a "weakest-link activation mechanism". In addition, the variations and periodicity of dislocation activation are analyzed using the Fast Fourier Transform (FFT). We then present models of localized plastic deformation inside Persistent Slip Band channels. We investigate the interaction between screw dislocations as they pass one another inside channel walls in copper. The model shows the mechanisms of dislocation bowing, dipole formation and binding, and dipole destruction as screw dislocations pass one another. The mechanism of (dipole passing) is assessed and interpreted in terms of the fatigue saturation stress. We also present results for the effects of the wall dipole structure on the dipole passing mechanism. The edge dislocation dipolar walls is seen to have an effect on the passing stress as well. It is shown that the passing stress in the middle of the channel is reduced by 11 to 23% depending on the initial configuration of the screw dislocations with respect to one another. Finally, from large scale simulations of the expansion process of the edge dipoles from the walls in the channel the screw dislocations in the PSB channels may not meet "symmetrically", i.e. precisely in the center of the channel but preferably a little on one or the other side. For this configuration the passing stress will be lowered which is in agreement to experimental observations.

Evolution of stress and microstructure in silicon-doped aluminum gallium nitride thin films

NASA Astrophysics Data System (ADS)

Manning, Ian C.

The present work examines the effects of the Si incorporation on the stress evolution of AlxGa1-xN thin films deposited using metalorganic chemical vapor deposition. Specifically, tensile stress generation was evaluated using an in situ wafer curvature measurement technique, and correlated with the inclination of edge-type threading dislocations observed with transmission electron microscopy (TEM). This microstructural process had been theorized to relax compressive strain with increasing film thickness by expanding the missing planes of atoms associated with the dislocations. Prior work regarded dislocation bending as being the result of an effective climb mechanism. In a preliminary investigation, the accuracy of the model derived to quantify the strain induced by dislocation inclination was tested. The relevant parameters were measured to calculate a theoretical stress gradient, which was compared with the gradient as extract from experimental stress data. The predicted value was found to overestimate the measured value. It was also confirmed during the preliminary investigation that Si incorporation alone was sufficient to initiate dislocation bending. The overestimation of the stress gradient yielded by the prediction of the model was then addressed by exploring the effects of dislocation annihilation and fusion reactions occurring during film growth. Si-doped Al0.42Ga 0.58N layers exhibiting inclined threading dislocations were grown to different thicknesses. The dislocation density at the surface of each sample was then measured using plan-view TEM, and was found to be inversely proportional to the thickness. As the original model assumed a constant dislocation density, applying the correction for its reduction yielded a better prediction of the stress evolution. In an attempt to extend the predictive capabilities of the model beyond the single composition examined above, and to better understand the interaction of Si with the host AlxGa1-xN lattice, several sets of AlxGa1-xN films were grown, each with a unique composition. The Si doping level was varied within each set. It was determined that the dominant influence on tensile strain generation is in fact the initial dislocation density, which increased with increasing Al content as observed with plan-view TEM. This was expounded in a series of modeling examples. In addition, threading dislocation inclination was studied in nominally undoped and Si-doped Al xGa1-xN grown under conditions of tensile stress to isolate the influence of Si from that of compressive stress, which had also been found to induce dislocation bending. The effects due to Si and compressive stress were found not to combine as expected, based on a stochastic model of dislocation jog formation that had been developed in prior work to describe the inclination mechanism. Having confirmed the strong, direct relationship between the initial dislocation density and the degree of tensile stress generated in the Al xGa1-xN epilayers during growth, an effort was made to demonstrate the advantage that might be gained by using AlN substrates rather than SiC. In principle, AlN provides a growth surface that inhibits defect formation due to its close similarity to AlxGa1-xN lattice structure and chemistry, particularly at high Al mole fractions. Threading dislocation densities were reduced by an order of magnitude in comparison with samples grown on SiC, with a corresponding reduction in the stress gradient arising from dislocation inclination. (Abstract shortened by UMI.)

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.

Polarity Control and Growth of Lateral Polarity Structures in AlN

DTIC Science & Technology

2013-05-10

domains. Transmission electron microscopy shows mixed edge-screw type dislocations with polarity-dependent dislocation bending. Raman 1. REPORT DATE (DD-MM...polarity-dependent dislocation bending. Raman spectroscopy reveals compressively strained Al-polar and relaxed N-polar domains. The near band edge...dislocation bending. Raman spectroscopy reveals compressively strained Al-polar and relaxed N-polar domains. The near band edge luminescence consists of

Relationship between dislocation and the visible luminescence band observed in ZnO epitaxial layers grown on c-plane p-GaN templates by chemical vapor deposition technique

NASA Astrophysics Data System (ADS)

Saroj, Rajendra K.; Dhar, S.

2016-08-01

ZnO epitaxial layers are grown on c-plane GaN (p-type)/sapphire substrates using a chemical vapor deposition technique. Structural and luminescence properties of these layers have been studied systematically as a function of various growth parameters. It has been found that high quality ZnO epitaxial layers can indeed be grown on GaN films at certain optimum conditions. It has also been observed that the growth temperature and growth time have distinctly different influences on the screw and edge dislocation densities. While the growth temperature affects the density of edge dislocations more strongly than that of screw dislocations, an increase of growth duration leads to a rapid drop in the density of screw dislocation, whereas the density of edge dislocation hardly changes. Densities of both edge and screw dislocations are found to be minimum at a growth temperature of 500 °C. Interestingly, the defect related visible luminescence intensity also shows a minimum at the same temperature. Our study indeed suggests that the luminescence feature is related to threading edge dislocation. A continuum percolation model, where the defects responsible for visible luminescence are considered to be formed under the influence of the strain field surrounding the threading edge dislocations, is proposed. The theory explains the observed variation of the visible luminescence intensity as a function of the concentration of the dislocations.

Displacement field for an edge dislocation in a layered half-space

USGS Publications Warehouse

Savage, J.C.

1998-01-01

The displacement field for an edge dislocation in an Earth model consisting of a layer welded to a half-space of different material is found in the form of a Fourier integral following the method given by Weeks et al. [1968]. There are four elementary solutions to be considered: the dislocation is either in the half-space or the layer and the Burgers vector is either parallel or perpendicular to the layer. A general two-dimensional solution for a dip-slip faulting or dike injection (arbitrary dip) can be constructed from a superposition of these elementary solutions. Surface deformations have been calculated for an edge dislocation located at the interface with Burgers vector inclined 0??, 30??, 60??, and 90?? to the interface for the case where the rigidity of the layer is half of that of the half-space and the Poisson ratios are the same. Those displacement fields have been compared to the displacement fields generated by similarly situated edge dislocations in a uniform half-space. The surface displacement field produced by the edge dislocation in the layered half-space is very similar to that produced by an edge dislocation at a different depth in a uniform half-space. In general, a low-modulus (high-modulus) layer causes the half-space equivalent dislocation to appear shallower (deeper) than the actual dislocation in the layered half-space.

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.

Dislocation Structure and Mobility in hcp He 4

DOE PAGES

Landinez Borda, Edgar Josue; Cai, Wei; de Koning, Maurice

2016-07-20

We assess the core structure and mobility of the screw and edge basal-plane dislocations in hcp 4He using path-integral Monte Carlo simulations. Our findings provide key insights into recent interpretations of giant plasticity and mass flow junction experiments. First, both dislocations are dissociated into nonsuperfluid Shockley partial dislocations separated by ribbons of stacking fault, suggesting that they are unlikely to act as one-dimensional channels that may display Lüttinger-liquid-like behavior. Second, the centroid positions of the partial cores are found to fluctuate substantially, even in the absence of applied shear stresses. This implies that the lattice resistance to motion of themore » partial dislocations is negligible, consistent with the recent experimental observations of giant plasticity. Our results indicate that both the structure of the partial cores and the zero-point fluctuations play a role in this extreme mobility.« less

Localizing softness and stress along loops in 3D topological metamaterials

NASA Astrophysics Data System (ADS)

Baardink, Guido; Souslov, Anton; Paulose, Jayson; Vitelli, Vincenzo

2018-01-01

Topological states can be used to control the mechanical properties of a material along an edge or around a localized defect. The rigidity of elastic networks is characterized by a topological invariant called the polarization; materials with a well-defined uniform polarization display a dramatic range of edge softness depending on the orientation of the polarization relative to the terminating surface. However, in all 3D mechanical metamaterials proposed to date, the topological modes are mixed with bulk soft modes, which organize themselves in Weyl loops. Here, we report the design of a 3D topological metamaterial without Weyl lines and with a uniform polarization that leads to an asymmetry between the number of soft modes on opposing surfaces. We then use this construction to localize topological soft modes in interior regions of the material by including defect lines—dislocation loops—that are unique to three dimensions. We derive a general formula that relates the difference in the number of soft modes and states of self-stress localized along the dislocation loop to the handedness of the vector triad formed by the lattice polarization, Burgers vector, and dislocation-line direction. Our findings suggest a strategy for preprogramming failure and softness localized along lines in 3D, while avoiding extended soft Weyl modes.

Deformation mechanism study of a hot rolled Zr-2.5Nb alloy by transmission electron microscopy. I. Dislocation microstructures in as-received state and at different plastic strains

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

Long, Fei; Daymond, Mark R., E-mail: mark.daymond@queensu.ca; Yao, Zhongwen

Thin foil dog bone samples prepared from a hot rolled Zr-2.5Nb alloy have been deformed by tensile deformation to different plastic strains. The development of slip traces during loading was observed in situ through SEM, revealing that deformation starts preferentially in certain sets of grains during the elastic-plastic transition region. TEM characterization showed that sub-grain boundaries formed during hot rolling consisted of screw 〈a〉 dislocations or screw 〈c〉 and 〈a〉 dislocations. Prismatic 〈a〉 dislocations with large screw or edge components have been identified from the sample with 0.5% plastic strain. Basal 〈a〉 and pyramidal 〈c + a〉 dislocations were found in themore » sample that had been deformed with 1.5% plastic strain, implying that these dislocations require larger stresses to be activated.« less

Induction of optical vortex in the crystals subjected to bending stresses.

PubMed

Skab, Ihor; Vasylkiv, Yurij; Vlokh, Rostyslav

2012-08-20

We describe a method for generation of optical vortices that relies on bending of transparent parallelepiped-shaped samples fabricated from either glass or crystalline solid materials. It is shown that the induced singularity of optical indicatrix rotation leads in general to appearance of a mixed screw-edge dislocation of the phase front of outgoing optical beam. At the same time, some specified geometrical parameters of the sample can ensure generation of a purely screw dislocation of the phase front and, as a result, a singly charged canonical optical vortex.

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.

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.

Statistical study of ductility-dip cracking induced plastic deformation in polycrystalline laser 3D printed Ni-based superalloy

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

Qian, Dan; Xue, Jiawei; Zhang, Anfeng

Ductility-dip cracking in Ni-based superalloy, resulting from heat treatment, is known to cause disastrous failure, but its mechanism is still not completely clear. A statistical study of the cracking behavior as a function of crystal orientation in a laser 3D-printed DL125L Ni-based superalloy polycrystal is investigated here using the synchrotron X-ray microdiffraction. The dislocation slip system in each of the forty crystal grains adjacent to the 300 μm long crack has been analyzed through Laue diffraction peak shapes. In all these grains, edge-type geometrically necessary dislocations (GNDs) dominate, and their dislocation line directions are almost parallel to the crack plane.more » Based on Schmid's law, the equivalent uniaxial tensile force direction is revealed normal to the trace of the crack. A qualitative mechanism is thus proposed. Thermal tensile stress perpendicular to the laser scanning direction is elevated due to a significant temperature gradient, and thus locations in the materials where the thermal stress exceeds the yield stress undergo plastic deformation mediated by GND activations. As the dislocations slip inside the crystal grains and pile up at the grain boundaries, local strain/stress keeps increasing, until the materials in these regions fail to sustain further deformation, leading to voids formation and cracks propagation.« less

Statistical study of ductility-dip cracking induced plastic deformation in polycrystalline laser 3D printed Ni-based superalloy

DOE PAGES

Qian, Dan; Xue, Jiawei; Zhang, Anfeng; ...

2017-06-06

Ductility-dip cracking in Ni-based superalloy, resulting from heat treatment, is known to cause disastrous failure, but its mechanism is still not completely clear. A statistical study of the cracking behavior as a function of crystal orientation in a laser 3D-printed DL125L Ni-based superalloy polycrystal is investigated here using the synchrotron X-ray microdiffraction. The dislocation slip system in each of the forty crystal grains adjacent to the 300 μm long crack has been analyzed through Laue diffraction peak shapes. In all these grains, edge-type geometrically necessary dislocations (GNDs) dominate, and their dislocation line directions are almost parallel to the crack plane.more » Based on Schmid's law, the equivalent uniaxial tensile force direction is revealed normal to the trace of the crack. A qualitative mechanism is thus proposed. Thermal tensile stress perpendicular to the laser scanning direction is elevated due to a significant temperature gradient, and thus locations in the materials where the thermal stress exceeds the yield stress undergo plastic deformation mediated by GND activations. As the dislocations slip inside the crystal grains and pile up at the grain boundaries, local strain/stress keeps increasing, until the materials in these regions fail to sustain further deformation, leading to voids formation and cracks propagation.« less

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.

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.

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

Strengthening due to Cr-rich precipitates in Fe-Cr alloys: Effect of temperature and precipitate composition

NASA Astrophysics Data System (ADS)

Terentyev, D.; Hafez Haghighat, S. M.; Schäublin, R.

2010-03-01

Molecular dynamics (MD) simulations were carried out to study the interaction between nanometric Cr precipitates and a 1/2 ⟨111⟩{110} edge dislocation (ED) in pure Fe and Fe-9 at. % Cr (Fe-9Cr) random alloy. The aim of this work is to estimate the variation in the pinning strength of the Cr precipitate as a function of temperature, its chemical composition and the matrix composition in which the precipitate is embedded. The dislocation was observed to shear Cr precipitates rather than by-pass via the formation of the Orowan loop, even though a pronounced screw dipole was emerged in the reactions with the precipitates of size larger than 4.5 nm. The screw arms of the formed dipole were not observed to climb thus no point defects were left inside the sheared precipitates, irrespective of simulation temperature. Both Cr solution and Cr precipitates, embedded in the Fe-9Cr matrix, were seen to contribute to the flow stress. The decrease in the flow stress with temperature in the alloy containing Cr precipitates is, therefore, related to the simultaneous change in the matrix friction stress, precipitate resistance, and dislocation flexibility. Critical stress estimated from MD simulations was seen to have a strong dependence on the precipitate composition. If the latter decreases from 95% down to 80%, the corresponding critical stress decreases almost as twice. The results presented here suggest a significant contribution to the flow stress due to the α -α' separation, at least for EDs. The obtained data can be used to validate and to parameterize dislocation dynamics models, where the temperature dependence of the obstacle strength is an essential input data.

Impact of stress relaxation in GaAsSb cladding layers on quantum dot creation in InAs/GaAsSb structures grown on GaAs (001)

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

Bremner, S. P.; Ban, K.-Y.; Faleev, N. N.

2013-09-14

We describe InAs quantum dot creation in InAs/GaAsSb barrier structures grown on GaAs (001) wafers by molecular beam epitaxy. The structures consist of 20-nm-thick GaAsSb barrier layers with Sb content of 8%, 13%, 15%, 16%, and 37% enclosing 2 monolayers of self-assembled InAs quantum dots. Transmission electron microscopy and X-ray diffraction results indicate the onset of relaxation of the GaAsSb layers at around 15% Sb content with intersected 60° dislocation semi-loops, and edge segments created within the volume of the epitaxial structures. 38% relaxation of initial elastic stress is seen for 37% Sb content, accompanied by the creation of amore » dense net of dislocations. The degradation of In surface migration by these dislocation trenches is so severe that quantum dot formation is completely suppressed. The results highlight the importance of understanding defect formation during stress relaxation for quantum dot structures particularly those with larger numbers of InAs quantum-dot layers, such as those proposed for realizing an intermediate band material.« less

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.

Supercomputer modelling of an electronic structure for KCl nanocrystal with edge dislocation with the use of semiempirical and nonempirical models

NASA Astrophysics Data System (ADS)

Timoshenko, Yu K.; Shunina, V. A.; Shashkin, A. I.

2018-03-01

In the present work we used semiempirical and non-empirical models for electronic states of KCl nanocrystal containing edge dislocation for comparison of the obtained results. Electronic levels and local densities of states were calculated. As a result we found a reasonable qualitative correlation of semiempirical and non-empirical results. Using the results of computer modelling we discuss the problem of localization of electronic states near the line of edge dislocation.

Internal friction measurement in high purity tungsten single crystal

NASA Technical Reports Server (NTRS)

Rieu, G. E.

1974-01-01

Internal friction peaks observed after small deformation in high purity tungsten single crystals between liquid helium temperature and 800 K in the frequency range 30-50 KHz, are studied as a function of orientation. An orientation effect is observed in the internal friction spectra due to the creation of internal stresses. The elementary processes related to these peaks are discussed in terms of kink generation and geometric kink motion on screw and edge dislocations in an internal stress field.

Defect analysis of the LED structure deposited on the sapphire substrate

NASA Astrophysics Data System (ADS)

Nie, Qichu; Jiang, Zhimin; Gan, Zhiyin; Liu, Sheng; Yan, Han; Fang, Haisheng

2018-04-01

Transmission electron microscope (TEM) and double-crystal X-ray diffraction (DCXRD) measurements have been performed to investigate dislocations of the whole structure of the LED layers deposited on both the conventional (unpatterned sapphire substrate, UPSS) and patterned sapphire substrates (PSS). TEM results show that there exists a dislocation-accumulated region near the substrate/GaN interface, where the dislocation density is much higher with the UPPS than that with the PSS. It indicates that the pattern on the substrate surface is able to block the formation and propagation of dislocations. Further analysis discloses that slope of the pattern is found to suppress the deposition of GaN, and thus to provide more spaces for the epitaxially lateral overgrowth (ELO) of high temperature GaN, which significantly reduces the number of the initial islands, and minimizes dislocation formation due to the island coalescence. V-defect incorporating the threading dislocation is detected in the InGaN/GaN multi-quantum wells (MQWs), and its propagation mechanism is determined as the decrease of the surface energy due to the incorporation of indium. In addition, temperature dependence of dislocation formation is further investigated. The results show that dislocation with the screw component decreases monotonously as temperature goes up. However, edge dislocation firstly drops, and then increases by temperature due to the enhanced thermal mismatch stress. It implies that an optimized range of the growth temperature can be obtained to improve quality of the LED layers.

Studies of the Origins of Half-Loop Arrays and Interfacial Dislocations Observed in Homoepitaxial Layers of 4H-SiC

NASA Astrophysics Data System (ADS)

Wang, H.; Dudley, M.; Wu, F.; Yang, Y.; Raghothamachar, B.; Zhang, J.; Chung, G.; Thomas, B.; Sanchez, E. K.; Mueller, S. G.; Hansen, D.; Loboda, M. J.

2015-05-01

Synchrotron x-ray topography and KOH etching studies have been carried out on n-type 4H-SiC offcut substrates before and after homoepitaxial growth to study defect replication and strain relaxation processes and identify the nucleation sources of both interfacial dislocations (IDs) and half-loop arrays (HLAs), which are known to have a deleterious effect on device performance. Two cases are reported. In one, they nucleate from short segments of edge-oriented basal plane dislocations (BPDs) in the substrate which are drawn into the epilayer. In the other, they form from segments of half-loops of BPD that are attached to the substrate surface prior to growth which glide into the epilayer. The significance of these findings is: (1) It is demonstrated that it is not necessary for a BPD to intersect the substrate surface in order for it to be replicated into the homoepitaxial layer and take part in nucleation of IDs and HLAs; (2) The conversion of the surface intersections of a substrate BPD half-loop into threading edge dislocations (TEDs) does not prevent it from also becoming involved in nucleation of IDs and HLAs. This means that, while BPD to TED conversion can eliminate most of the BPD transfer into the epilayer, further mitigation may only be possible by continued efforts to reduce the BPD density in substrates by control of temperature-gradient- induced stresses during their physical vapor transport (PVT) growth.

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.

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.

Hydrogen-induced strain localisation in oxygen-free copper in the initial stage of plastic deformation

NASA Astrophysics Data System (ADS)

Yagodzinskyy, Yuriy; Malitckii, Evgenii; Tuomisto, Filip; Hänninen, Hannu

2018-03-01

Single crystals of oxygen-free copper oriented to easy glide of dislocations were tensile tested in order to study the hydrogen effects on the strain localisation in the form of slip bands appearing on the polished specimen surface under tensile straining. It was found that hydrogen increases the plastic flow stress in Stage I of deformation. The dislocation slip localisation in the form of slip bands was observed and analysed using an online optical monitoring system and atomic force microscopy. The fine structure of the slip bands observed with AFM shows that they consist of a number of dislocation slip offsets which spacing in the presence of hydrogen is markedly reduced as compared to that in the hydrogen-free specimens. The tensile tests and AFM observations were accompanied with positron annihilation lifetime measurements showing that straining of pure copper in the presence of hydrogen results in free volume generation in the form of vacancy complexes. Hydrogen-enhanced free-volume generation is discussed in terms of hydrogen interactions with edge dislocation dipoles forming in double cross-slip of screw dislocations in the initial stage of plastic deformation of pure copper.

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.

Generation of phase edge singularities by coplanar three-beam interference and their detection.

PubMed

Patorski, Krzysztof; Sluzewski, Lukasz; Trusiak, Maciej; Pokorski, Krzysztof

2017-02-06

In recent years singular optics has gained considerable attention in science and technology. Up to now optical vortices (phase point dislocations) have been of main interest. This paper presents the first general analysis of formation of phase edge singularities by coplanar three-beam interference. They can be generated, for example, by three-slit interference or self-imaging in the Fresnel diffraction field of a sinusoidal grating. We derive a general condition for the ratio of amplitudes of interfering beams resulting in phase edge dislocations, lateral separation of dislocations depends on this ratio as well. Analytically derived properties are corroborated by numerical and experimental studies. We develop a simple, robust, common path optical self-imaging configuration aided by a coherent tilted reference wave and spatial filtering. Finally, we propose an automatic fringe pattern analysis technique for detecting phase edge dislocations, based on the continuous wavelet transform. Presented studies open new possibilities for developing grating based sensing techniques for precision metrology of very small phase differences.

Coplanar three-beam interference and phase edge dislocations

NASA Astrophysics Data System (ADS)

Patorski, Krzysztof; SłuŻewski, Łukasz; Trusiak, Maciej; Pokorski, Krzysztof

2016-12-01

We present a comprehensive analysis of grating three-beam interference to discover a broad range of the ratio of amplitudes A of +/-1 diffraction orders and the zero order amplitude C providing phase edge dislocations. We derive a condition A/C > 0.5 for the occurrence of phase edge dislocations in three-beam interference self-image planes. In the boundary case A/C = 0.5 singularity conditions are met in those planes (once per interference field period), but the zero amplitude condition is not accompanied by an abrupt phase change. For A/C > 0.5 two adjacent singularities in a single field period show opposite sign topological charges. The occurrence of edge dislocations for selected values of A/C was verified by processing fork fringes obtained by introducing the fourth beam in the plane perpendicular to the one containing three coplanar diffraction orders. Two fork pattern processing methods are described, 2D CWT (two-dimensional continuous wavelet transform) and 2D spatial differentiation.

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

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

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

2016-11-15

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

Pipe and grain boundary diffusion of He in UO 2

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

Galvin, C. O.T.; Cooper, M. W. D.; Fossati, P. C. M.

Molecular dynamics simulations have been conducted to study the effects of dislocations and grain boundaries on He diffusion inmore » $$\\text{U}{{\\text{O}}_{2}}$$ . Calculations were carried out for the {100}, {110} and {111} $$\\langle 1\\,1\\,0\\rangle $$ edge dislocations, the screw $$\\langle 1\\,1\\,0\\rangle $$ dislocation and Σ5, Σ13, Σ19 and Σ25 tilt grain boundaries. He diffusivity as a function of distance from the dislocation core and grain boundaries was investigated for the temperature range 2300–3000 K. An enhancement in diffusivity was predicted within 20 Å of the dislocations or grain boundaries. Further investigation showed that He diffusion in the edge dislocations follows anisotropic behaviour along the dislocation core, suggesting that pipe diffusion occurs. Here, an Arrhenius plot of He diffusivity against the inverse of temperature was also presented and the activation energy calculated for each structure, as a function of distance from the dislocation or grain boundary.« less

Pipe and grain boundary diffusion of He in UO 2

DOE PAGES

Galvin, C. O.T.; Cooper, M. W. D.; Fossati, P. C. M.; ...

2016-10-12

Molecular dynamics simulations have been conducted to study the effects of dislocations and grain boundaries on He diffusion inmore » $$\\text{U}{{\\text{O}}_{2}}$$ . Calculations were carried out for the {100}, {110} and {111} $$\\langle 1\\,1\\,0\\rangle $$ edge dislocations, the screw $$\\langle 1\\,1\\,0\\rangle $$ dislocation and Σ5, Σ13, Σ19 and Σ25 tilt grain boundaries. He diffusivity as a function of distance from the dislocation core and grain boundaries was investigated for the temperature range 2300–3000 K. An enhancement in diffusivity was predicted within 20 Å of the dislocations or grain boundaries. Further investigation showed that He diffusion in the edge dislocations follows anisotropic behaviour along the dislocation core, suggesting that pipe diffusion occurs. Here, an Arrhenius plot of He diffusivity against the inverse of temperature was also presented and the activation energy calculated for each structure, as a function of distance from the dislocation or grain boundary.« less

Edge facet dynamics during the growth of heavily doped n-type silicon by the Czochralski-method

NASA Astrophysics Data System (ADS)

Stockmeier, L.; Kranert, C.; Raming, G.; Miller, A.; Reimann, C.; Rudolph, P.; Friedrich, J.

2018-06-01

During the growth of [0 0 1]-oriented, heavily n-type doped silicon crystals by the Czochralski (CZ) method dislocation formation occurs frequently which leads to a reduction of the crystal yield. In this publication the evolution of the solid-liquid interface and the formation of the {1 1 1} edge facets are analyzed on a microscopic scale as possible reason for dislocation formation in heavily n-type doped [0 0 1]-oriented CZ crystals. A correlation between the length of the {1 1 1} edge facets and the curvature of the interface is found. They ultimately promote supercooled areas and interrupted growth kinetics, which increase the probability for dislocation formation at the boundary between the {1 1 1} edge facets and the atomically rough interface.

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.

Gyrator transform of generalized sine-Gaussian beams and conversion an edge-dislocation into a vortex

NASA Astrophysics Data System (ADS)

Zhu, Kaicheng; Tang, Huiqin; Tang, Ying; Xia, Hui

2014-12-01

We proposed a scheme that converts a sine-Gaussian beam with an edge dislocation into a dark hollow beam with a vortex. Based on the gyrator transform (GT) relation, the closed-form field distribution of generalized sine-Gaussian beams passing through a GT system is derived; the intensity distribution and the corresponding phase distribution associated with the transforming generalized sine-Gaussian beams are analyzed. According to the numerical method, the distributions are graphically demonstrated and found that, for appropriate beam parameters and the GT angle, dark hollow vortex beams with topological charge 1 can be achieved using sine-Gaussian beams carrying an edge dislocation. Moreover, the orbital angular momentum content of a GT sine-Gaussian beam is analyzed. It is proved that the GT retains the odd- or even-order spiral harmonics structures of generalized sine-Gaussian beams in the transform process. In particular, it is wholly possible to convert an edge dislocation embedded in sine-Gaussian beams into a vortex with GT. The study also reveals that to obtain a dark hollow beam making use of GT of cos-Gaussian beams is impossible.

Electronic and optical properties of GaN/AlN quantum dots with adjacent threading dislocations

NASA Astrophysics Data System (ADS)

Ye, Han; Lu, Peng-Fei; Yu, Zhong-Yuan; Yao, Wen-Jie; Chen, Zhi-Hui; Jia, Bo-Yong; Liu, Yu-Min

2010-04-01

We present a theory to simulate a coherent GaN QD with an adjacent pure edge threading dislocation by using a finite element method. The piezoelectric effects and the strain modified band edges are investigated in the framework of multi-band k · p theory to calculate the electron and the heavy hole energy levels. The linear optical absorption coefficients corresponding to the interband ground state transition are obtained via the density matrix approach and perturbation expansion method. The results indicate that the strain distribution of the threading dislocation affects the electronic structure. Moreover, the ground state transition behaviour is also influenced by the position of the adjacent threading dislocation.

Field Dislocation Mechanics for heterogeneous elastic materials: A numerical spectral approach

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

Djaka, Komlan Senam; Villani, Aurelien; Taupin, Vincent

Spectral methods using Fast Fourier Transform (FFT) algorithms have recently seen a surge in interest in the mechanics of materials community. The present work addresses the critical question of determining accurate local mechanical fields using FFT methods without artificial fluctuations arising from materials and defects induced discontinuities. Precisely, this work introduces a numerical approach based on intrinsic discrete Fourier transforms for the simultaneous treatment of material discontinuities arising from the presence of dislocations and from elastic stiffness heterogeneities. To this end, the elasto-static equations of the field dislocation mechanics theory for periodic heterogeneous materials are numerically solved with FFT inmore » the case of dislocations in proximity of inclusions of varying stiffness. An optimal intrinsic discrete Fourier transform method is sought based on two distinct schemes. A centered finite difference scheme for differential rules are used for numerically solving the Poisson-type equation in the Fourier space, while centered finite differences on a rotated grid is chosen for the computation of the modified Fourier–Green’s operator associated with the Lippmann–Schwinger-type equation. By comparing different methods with analytical solutions for an edge dislocation in a composite material, it is found that the present spectral method is accurate, devoid of any numerical oscillation, and efficient even for an infinite phase elastic contrast like a hole embedded in a matrix containing a dislocation. The present FFT method is then used to simulate physical cases such as the elastic fields of dislocation dipoles located near the matrix/inclusion interface in a 2D composite material and the ones due to dislocation loop distributions surrounding cubic inclusions in 3D composite material. In these configurations, the spectral method allows investigating accurately the elastic interactions and image stresses due to dislocation fields in the presence of elastic inhomogeneities.« less

Field Dislocation Mechanics for heterogeneous elastic materials: A numerical spectral approach

DOE PAGES

Djaka, Komlan Senam; Villani, Aurelien; Taupin, Vincent; ...

2017-03-01

Spectral methods using Fast Fourier Transform (FFT) algorithms have recently seen a surge in interest in the mechanics of materials community. The present work addresses the critical question of determining accurate local mechanical fields using FFT methods without artificial fluctuations arising from materials and defects induced discontinuities. Precisely, this work introduces a numerical approach based on intrinsic discrete Fourier transforms for the simultaneous treatment of material discontinuities arising from the presence of dislocations and from elastic stiffness heterogeneities. To this end, the elasto-static equations of the field dislocation mechanics theory for periodic heterogeneous materials are numerically solved with FFT inmore » the case of dislocations in proximity of inclusions of varying stiffness. An optimal intrinsic discrete Fourier transform method is sought based on two distinct schemes. A centered finite difference scheme for differential rules are used for numerically solving the Poisson-type equation in the Fourier space, while centered finite differences on a rotated grid is chosen for the computation of the modified Fourier–Green’s operator associated with the Lippmann–Schwinger-type equation. By comparing different methods with analytical solutions for an edge dislocation in a composite material, it is found that the present spectral method is accurate, devoid of any numerical oscillation, and efficient even for an infinite phase elastic contrast like a hole embedded in a matrix containing a dislocation. The present FFT method is then used to simulate physical cases such as the elastic fields of dislocation dipoles located near the matrix/inclusion interface in a 2D composite material and the ones due to dislocation loop distributions surrounding cubic inclusions in 3D composite material. In these configurations, the spectral method allows investigating accurately the elastic interactions and image stresses due to dislocation fields in the presence of elastic inhomogeneities.« 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.

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.

High attenuation in MgSiO3 post-perovskite due to [100] dislocation glide under D'' conditions: an atomic scale study

NASA Astrophysics Data System (ADS)

Cordier, P.; Goryaeva, A.; Carrez, P.

2016-12-01

Dislocation motion in crystalline materials represents one of the most efficient mechanisms to produce plastic shear, the key mechanism for CPO development. Previous atomistic simulations show that MgSiO3 ppv is characterized by remarkably low lattice friction opposed to the glide of straight [100] screw dislocations in (010), while glide in (001) requires one order of magnitude larger stress values [1]. At finite temperature, dislocation glide occurs through nucleation and propagation of kink-pairs, i.e. dislocation does not move as a straight line, but partly bows out over the Peierls potential. We propose a theoretical study of a kink-pair formation mechanism for [100] screw dislocations in MgSiO3 ppv employing the line tension (LT) model [2] in conjunction with ab-initio atomic-scale modeling. The dislocation line tension, which plays a key role in dislocation dynamics, is computed at atomic scale as the energy increase resulting from individual atomic displacements due to the nucleation of a bow out. The estimated kink-pair formation enthalpy gives an access to evolution of critical resolved shear stress (CRSS) with temperature. Our results clearly demonstrate that at the lower mantle conditions, lattice friction in ppv vanishes for temperatures above ca. 600 K, i.e. ppv deforms in the athermal regime in contrast to the high-lattice friction bridgmanite [3]. Moreover, in the Earth's mantle, high-pressure Mg-ppv can be expected to be as ductile as MgO. Our simulations demonstrate that ppv contributes to a weak layer at the base of the mantle which is likely to promote alignment of (010) planes. In addition to that, we show that the high mobility of [100] dislocations results in a decrease of the apparent shear modulus (up to 15%) which contributes to a decrease of the shear wave velocity of about 7% and suggest that ppv induces energy dissipation and strong seismic attenuation in the D" layer. References[1] Goryaeva A, Carrez Ph & Cordier P (2015) Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2 - screw and edge [100] dislocations. Phys. Chem. Miner. 45:793-803 [2] Seeger A (1984) in "Dislocations", CNRS, Paris, p. 141. [3] Kraych A, Carrez Ph & Cordier P (2016) On dislocation glide in MgSiO3 bridgmanite at high pressure and high-temperature. Earth Planet. Sci. Lett. submitted.

Atomistic modeling of carbon Cottrell atmospheres in bcc iron

NASA Astrophysics Data System (ADS)

Veiga, R. G. A.; Perez, M.; Becquart, C. S.; Domain, C.

2013-01-01

Atomistic simulations with an EAM interatomic potential were used to evaluate carbon-dislocation binding energies in bcc iron. These binding energies were then used to calculate the occupation probability of interstitial sites in the vicinity of an edge and a screw dislocation. The saturation concentration due to carbon-carbon interactions was also estimated by atomistic simulations in the dislocation core and taken as an upper limit for carbon concentration in a Cottrell atmosphere. We obtained a maximum concentration of 10 ± 1 at.% C at T = 0 K within a radius of 1 nm from the dislocation lines. The spatial carbon distributions around the line defects revealed that the Cottrell atmosphere associated with an edge dislocation is denser than that around a screw dislocation, in contrast with the predictions of the classical model of Cochardt and colleagues. Moreover, the present Cottrell atmosphere model is in reasonable quantitative accord with the three-dimensional atom probe data available in the literature.

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.

3D discrete dislocation dynamics study of creep behavior in Ni-base single crystal superalloys by a combined dislocation climb and vacancy diffusion model

NASA Astrophysics Data System (ADS)

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

2017-05-01

A three-dimensional (3D) discrete dislocation dynamics (DDD) creep model is developed to investigate creep behavior under uniaxial tensile stress along the crystallographic [001] direction in Ni-base single crystal superalloys, which takes explicitly account of dislocation glide, climb and vacancy diffusion, but neglects phase transformation like rafting of γ‧ precipitates. The vacancy diffusion model takes internal stresses by dislocations and mismatch strains into account and it is coupled to the dislocation dynamics model in a numerically efficient way. This model is helpful for understanding the fundamental creep mechanisms in superalloys and clarifying the effects of dislocation glide and climb on creep deformation. In cases where the precipitate cutting rarely occurs, e.g. due to the high anti-phase boundary energy and the lack of superdislocations, the dislocation glide in the γ matrix and the dislocation climb along the γ/γ‧ interface dominate plastic deformation. The simulation results show that a high temperature or a high stress both promote dislocation motion and multiplication, so as to cause a large creep strain. Dislocation climb accelerated by high temperature only produces a small plastic strain, but relaxes the hardening caused by the filling γ channels and lets dislocations further glide and multiply. The strongest variation of vacancy concentration occurs in the horizontal channels, where more mixed dislocations exit and tend to climb. The increasing internal stresses due to the increasing dislocation density are easily overcome by dislocations under a high external stress that leads to a long-term dislocation glide accompanied by multiplication.

The impact of water on dislocation content and slip system activity in olivine constrained by HR-EBSD and visco-plastic self-consistent simulations

NASA Astrophysics Data System (ADS)

Wallis, D.; Hansen, L. N.; Tasaka, M.; Kumamoto, K. M.; Lloyd, G. E.; Parsons, A. J.; Kohlstedt, D. L.; Wilkinson, A. J.

2016-12-01

Changes in concentration of H+ ions in olivine have impacts on its rheological behaviour and therefore on tectonic processes involving mantle deformation. Deformation experiments on aggregates of wet olivine exhibit different evolution of crystal preferred orientations (CPO) and substructure from experiments on dry olivine, suggesting that elevated H+ concentrations impact activity of dislocation slip-systems. We use high angular-resolution electron backscatter diffraction (HR-EBSD) to map densities of different types of geometrically necessary dislocations (GND) in polycrystalline olivine deformed experimentally under wet and dry conditions and also in nature. HR-EBSD provides unprecedented angular resolution, resolving misorientations < 0.01°. We also employ visco-plastic self-consistent (VPSC) simulations to investigate changes in slip-system activity. HR-EBSD maps from experimental samples demonstrate that olivine deformed under hydrous conditions contains higher proportions of (001)[100] and (100)[001] edge dislocations than olivine deformed under anhydrous conditions. Furthermore, maps of wet olivine exhibit more polygonal subgrain boundaries indicative of enhanced recovery by dislocation climb. VPSC simulations with low critical resolved shear stresses for the (001)[100] and (100)[001] slip systems reproduce an unusual CPO with bimodal maxima of both [100] and [001] observed in wet olivine aggregates. Analysis of a mylonitic lherzolite xenolith from Lesotho reveals the same unusual CPO and similar proportions of dislocation types to `wet' experimental samples, supporting the applicability of these findings to natural deformation conditions. These results support suggestions that H+ impacts the flow properties of olivine by altering dislocation activity and climb, while also providing full quantification of GND content. In particular, the relative proportions of dislocation types may provide a basis for identifying olivine deformed under wet and dry conditions.

The Peierls stress of the moving [Formula: see text] screw dislocation in Ta.

PubMed

Liu, Ruiping; Wang, Shaofeng; Wu, Xiaozhi

2009-08-26

The Peierls stress of the moving [Formula: see text] screw dislocation with a planar and non-dissociated core structure in Ta has been calculated. The elastic strain energy which is associated with the discrete effect of the lattice and ignored in classical Peierls-Nabarro (P-N) theory has been taken into account in calculating the Peierls stress, and it can make the Peierls stress become smaller. The Peierls stress we obtain is very close to the experimental data. As shown in the numerical calculations and atomistic simulations, the core structure of the screw dislocation undergoes significant changes under the explicit stress before the screw dislocation moves. Moreover, the mechanism of the screw dislocation is revealed by our results and the experimental data that the screw dislocation retracts its extension in three {110} planes and transforms its dissociated core structure into a planar configuration. Therefore, the core structure of the moving [Formula: see text] screw dislocation in Ta is proposed to be planar.

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.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

NASA Astrophysics Data System (ADS)

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; Li, Xing; Li, Jun; Tan, Guotai; Zhu, Yimei; Zhu, Jing

2018-04-01

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. Herein, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by a genus model from a higher dimension in the graph theory. Our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.

Velocity statistics for interacting edge dislocations in one dimension from Dyson's Coulomb gas model.

PubMed

Jafarpour, Farshid; Angheluta, Luiza; Goldenfeld, Nigel

2013-10-01

The dynamics of edge dislocations with parallel Burgers vectors, moving in the same slip plane, is mapped onto Dyson's model of a two-dimensional Coulomb gas confined in one dimension. We show that the tail distribution of the velocity of dislocations is power law in form, as a consequence of the pair interaction of nearest neighbors in one dimension. In two dimensions, we show the presence of a pairing phase transition in a system of interacting dislocations with parallel Burgers vectors. The scaling exponent of the velocity distribution at effective temperatures well below this pairing transition temperature can be derived from the nearest-neighbor interaction, while near the transition temperature, the distribution deviates from the form predicted by the nearest-neighbor interaction, suggesting the presence of collective effects.

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

PubMed

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

2016-10-24

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

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

PubMed Central

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

2016-01-01

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

Homoepitaxial "Web Growth" of SiC to Terminate C-Axis Screw Dislocations and Enlarge Step-Free Surfaces

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony; Trunek, Andrew; Spry, David; Beheim, Glenn M.; Benavage, Emye; Abel, Phillip; Vetter, William M.; Dudley, Michael

2001-01-01

Homoepitaxial CVD growth of thin lateral cantilevers emanating from the edges of mesa patterns dry-etched into on-axis commercial 4H-SiC substrates prior to growth is reported. Cantilevers on the order of a micrometer thick extending tens of micrometers from the edge of a mesa have been grown. The termination of vertically propagating screw dislocations, including a micropipe, that are overgrown by the cantilevers has been demonstrated, in large part because the crystal structure of the cantilevers is established laterally from the mesa sidewalls. This technique could help reduce performance-degrading dislocations in SiC electrical devices.

Creep Deformation by Dislocation Movement in Waspaloy

PubMed Central

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

2017-01-01

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

Propagation of threading dislocations in heteroepitaxial diamond films with (111) orientation and their role in the formation of intrinsic stress

NASA Astrophysics Data System (ADS)

Gallheber, B.-C.; Klein, O.; Fischer, M.; Schreck, M.

2017-06-01

In the present study, systematic correlations were revealed between the propagation direction of threading dislocations, the off-axis growth conditions, and the stress state of heteroepitaxial diamond on Ir/YSZ/Si(111). Measurements of the strain tensor ɛ ⃡ by X-ray diffraction and the subsequent calculation of the tensor of intrinsic stress σ ⃡ showed stress-free samples as well as symmetric biaxial stress states for on-axis samples. Transmission electron microscopy (TEM) lamellas were prepared for plan-view studies along the [ 1 ¯ 1 ¯ 1 ¯ ] direction and for cross-section investigations along the [11 2 ¯ ] and [1 1 ¯ 0] zone axes. For samples grown on-axis with parameters which avoid the formation of intrinsic stress, the majority of dislocations have line vectors clearly aligned along [111]. A sudden change to conditions that promote stress formation is correlated with an abrupt bending of the dislocations away from [111]. This behaviour is in nice agreement with the predictions of a model that attributes formation of intrinsic stress to an effective climb of dislocations. Further growth experiments under off-axis conditions revealed the generation of stress states with pronounced in-plane anisotropy of several Gigapascal. Their formation is attributed to the combined action of two basic processes, i.e., the step flow driven dislocation tilting and the temperature dependent effective climb of dislocations. Again, our interpretation is supported by the dislocation propagation derived from TEM observations.

Cross-slip in face-centered cubic metals: a general Escaig stress-dependent activation energy line tension model

NASA Astrophysics Data System (ADS)

Malka-Markovitz, Alon; Mordehai, Dan

2018-02-01

Cross-slip is a dislocation mechanism by which screw dislocations can change their glide plane. This thermally activated mechanism is an important mechanism in plasticity and understanding the energy barrier for cross-slip is essential to construct reliable cross-slip rules in dislocation models. In this work, we employ a line tension model for cross-slip of screw dislocations in face-centred cubic (FCC) metals in order to calculate the energy barrier under Escaig stresses. The analysis shows that the activation energy is proportional to the stacking fault energy, the unstressed dissociation width and a typical length for cross-slip along the dislocation line. Linearisation of the interaction forces between the partial dislocations yields that this typical length is related to the dislocation length that bows towards constriction during cross-slip. We show that the application of Escaig stresses on both the primary and the cross-slip planes varies the typical length for cross-slip and we propose a stress-dependent closed form expression for the activation energy for cross-slip in a large range of stresses. This analysis results in a stress-dependent activation volume, corresponding to the typical volume surrounding the stressed dislocation at constriction. The expression proposed here is shown to be in agreement with previous models, and to capture qualitatively the essentials found in atomistic simulations. The activation energy function can be easily implemented in dislocation dynamics simulations, owing to its simplicity and universality.

Magnesium Vacancy Segregation and Fast Pipe Diffusion for the ½<110>{110} Edge Dislocation in MgO

NASA Astrophysics Data System (ADS)

Walker, A. M.; Zhang, F.; Wright, K.; Gale, J. D.

2009-12-01

The movement of point defects in minerals plays a key role in determining their rheological properties, both by permitting diffusional creep and by allowing recovery by dislocation climb. Point defect diffusion can also control the kinetics of phase transitions and grain growth, and can determine the rate of chemical equilibration between phases. Because of this, and the difficulties associated with experimental studies of diffusion, the simulation of point defect formation and migration has been a subject of considerable interest in computational mineral physics. So far, studies have concentrated on point defects moving through otherwise perfect crystals. In this work we examine the behavior of magnesium vacancies close to the core of an edge dislocation in MgO and find that the dislocation dramatically changes the behavior of the point defect. An atomic scale model of the ½<110>{110} edge dislocation in MgO was constructed by applying the anisotropic linear elastic displacement field to the crystal structure and subsequently minimizing the energy of the crystal close to the dislocation core using a parameterized potential model. This process yielded the structure of an isolated edge dislocation in an otherwise perfect crystal. The energy cost associated with introducing magnesium vacancies around the dislocation was then mapped and compared to the formation energy of an isolated magnesium vacancy in bulk MgO. We find that the formation energy of magnesium vacancies around the dislocation mirrors the elastic strain field. Above the dislocation line σxx and σyy are negative and the strain field is compressional. Atoms are squeezed together to make room for the extra half plane effectively increasing the pressure in this region. Below the dislocation line σxx and σyy are positive and the strain field is dilatational. Planes of atoms are pulled apart to avoid a discontinuity across the glide plane and the effective pressure is decreased. In the region with a compressional strain field the vacancies become less stable than those in perfect MgO. In contrast, the region with a dilatational strain field hosts vacancies which are stabilized compared to the perfect crystal. This is in agreement with the previously observed tendency for increasing pressure to decrease the stability of vacancies in MgO. The most stable position for a magnesium vacancy was found to be 1.7 eV more stable than the vacancy in the bulk crystal, suggesting that vacancies will strongly partition to dislocations in MgO. Finally, the energy profile traced out by a vacancy moving through the bulk crystal was compared with that experienced by a vacancy moving along the dislocation core. A low energy pathway for vacancy migration along the dislocation line was found with a migration energy of 1.6 eV compared with a migration energy in the perfect crystal of 1.9 eV. This shows that vacancies segregated to the dislocation line will be significantly more mobile than vacancies in the perfect crystal. Dislocations will act as pipes, allowing material to be rapidly transported through crystals of MgO.

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

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

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

Domain configurations in dislocations embedded hexagonal manganite systems: From the view of graph theory

DOE PAGES

Cheng, Shaobo; Zhang, Dong; Deng, Shiqing; ...

2018-04-19

Topological defects and their interactions often arouse multiple types of emerging phenomena from edge states in Skyrmions to disclination pairs in liquid crystals. In hexagonal manganites, partial edge dislocations, a prototype topological defect, are ubiquitous and they significantly alter the topologically protected domains and their behaviors. In this work, combining electron microscopy experiment and graph theory analysis, we report a systematic study of the connections and configurations of domains in this dislocation embedded system. Rules for domain arrangement are established. The dividing line between domains, which can be attributed by the strain field of dislocations, is accurately described by amore » genus model from a higher dimension in the graph theory. In conclusion, our results open a door for the understanding of domain patterns in topologically protected multiferroic systems.« less

The role of surface roughness on dislocation bending and stress evolution in low mobility AlGaN films during growth

NASA Astrophysics Data System (ADS)

Bardhan, Abheek; Mohan, Nagaboopathy; Chandrasekar, Hareesh; Ghosh, Priyadarshini; Sridhara Rao, D. V.; Raghavan, Srinivasan

2018-04-01

The bending and interaction of threading dislocations are essential to reduce their density for applications involving III-nitrides. Bending of dislocation lines also relaxes the compressive growth stress that is essential to prevent cracking on cooling down due to tensile thermal expansion mismatch stress while growing on Si substrates. It is shown in this work that surface roughness plays a key role in dislocation bending. Dislocations only bend and relax compressive stresses when the lines intersect a smooth surface. These films then crack. In rough films, dislocation lines which terminate at the bottom of the valleys remain straight. Compressive stresses are not relaxed and the films are relatively crack-free. The reasons for this difference are discussed in this work along with the implications on simultaneously meeting the requirements of films being smooth, crack free and having low defect density for device applications.

A combined dislocation fan-finite element (DF-FE) method for stress field simulation of dislocations emerging at the free surfaces of 3D elastically anisotropic crystals

NASA Astrophysics Data System (ADS)

Balusu, K.; Huang, H.

2017-04-01

A combined dislocation fan-finite element (DF-FE) method is presented for efficient and accurate simulation of dislocation nodal forces in 3D elastically anisotropic crystals with dislocations intersecting the free surfaces. The finite domain problem is decomposed into half-spaces with singular traction stresses, an infinite domain, and a finite domain with non-singular traction stresses. As such, the singular and non-singular parts of the traction stresses are addressed separately; the dislocation fan (DF) method is introduced to balance the singular traction stresses in the half-spaces while the finite element method (FEM) is employed to enforce the non-singular boundary conditions. The accuracy and efficiency of the DF method is demonstrated using a simple isotropic test case, by comparing it with the analytical solution as well as the FEM solution. The DF-FE method is subsequently used for calculating the dislocation nodal forces in a finite elastically anisotropic crystal, which produces dislocation nodal forces that converge rapidly with increasing mesh resolutions. In comparison, the FEM solution fails to converge, especially for nodes closer to the surfaces.

Dislocation core structures of tungsten with dilute solute hydrogen

NASA Astrophysics Data System (ADS)

Wang, Yinan; Li, Qiulin; Li, Chengliang; Shu, Guogang; Xu, Ben; Liu, Wei

2017-12-01

In this paper, a combination of quantum mechanical and interatomic potential-based atomistic calculations are used to predict the core structures of screw and edge dislocations in tungsten in the presence of a particular concentration of hydrogen atoms. These configurations of the core structures are the results of two competing energies: the interaction between the partial dislocations and the corresponding generalized stacking fault energy in between the two partial dislocations, which are presented in this work. With this, we can precisely predict the configurations of the hydrogen-doped dislocation core structures.

Thermodynamic dislocation theory: Bauschinger effect

NASA Astrophysics Data System (ADS)

Le, K. C.; Tran, T. M.

2018-04-01

The thermodynamic dislocation theory developed for nonuniform plastic deformations is used here to simulate the stress-strain curves for crystals subjected to antiplane shear-controlled load reversal. We show that the presence of the positive back stress during the load reversal reduces the magnitude of shear stress required to pull excess dislocations back to the center of the specimen. There, the excess dislocations of opposite signs meet and annihilate each other leading to the Bauschinger effect.

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.

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.

The rigidity and mobility of screw dislocations in a thin film

NASA Astrophysics Data System (ADS)

Wang, Fei

2018-07-01

An equation of screw dislocations in a thin film is derived for arbitrary boundary conditions. The boundary conditions can be the free surface, the fixed surface or the gradient loading imposed on the surface. The new equation makes it possible to study changes in the dislocation structure under various gradient stress applied to the surface. The rigidity and mobility of screw dislocations in a thin film are explored by using the equation. It is found that the screw dislocation core in a thin film is like a Hookean body with a specific shear stress applied to the surface. Free-surface effects on the Peierls stress are investigated and compared with previous studies. An abnormal behavior of the Peierls stress of screw dislocations in a soft-inclusion film between two rigid films is predicted theoretically.

Interaction of irradiation-induced prismatic dislocation loops with free surfaces in tungsten

NASA Astrophysics Data System (ADS)

Fikar, Jan; Gröger, Roman; Schäublin, Robin

2017-02-01

The prismatic dislocation loops appear in metals as a result of high-energy irradiation. Understanding their formation and interaction is important for quantification of irradiation-induced deterioration of mechanical properties. Characterization of dislocation loops in thin foils is commonly made using transmission electron microscopy (TEM), but the results are inevitably influenced by the proximity of free surfaces. The prismatic loops are attracted to free surfaces by image forces. Depending on the type, size and depth of the loop in the foil, they can escape to the free surface, thus invalidating TEM observations and conclusions. In this article small prismatic hexagonal and circular dislocation loops in tungsten with the Burgers vectors 1/2 〈 1 1 1 〉 and 〈 1 0 0 〉 are studied by molecular statics simulations using three embedded atom method (EAM) potentials. The calculated image forces are compared to known elastic solutions. A particular attention is paid to the critical stress to move edge dislocations. The escape of the loop to the free surface is quantified by a combination of atomistic simulations and elastic calculations. For example, for the 1/2 〈 1 1 1 〉 loop with diameter 7.4 nm in a 55 nm thick foil we calculated that about one half of the loops will escape to the free surface. This implies that TEM observations detect only approx. 50% of the loops that were originally present in the foil.

Detection of edge component of threading dislocations in GaN by Raman spectroscopy

NASA Astrophysics Data System (ADS)

Kokubo, Nobuhiko; Tsunooka, Yosuke; Fujie, Fumihiro; Ohara, Junji; Hara, Kazukuni; Onda, Shoichi; Yamada, Hisashi; Shimizu, Mitsuaki; Harada, Shunta; Tagawa, Miho; Ujihara, Toru

2018-06-01

We succeeded in measuring the density and direction of the edge component of threading dislocations (TDs) in c-plane (0001) GaN by micro-Raman spectroscopy mapping. In the micro-Raman spectroscopy mapping of the E2 H peak shift between 567.85 and 567.75 cm‑1, six different contrast images are observed toward directions of < 1\\bar{1}00> . By comparing X-ray topography and etch pit images, the E2 H peak shift is observed where the edge component of TDs exists. In contrast, the E2 H peak is not observed where the screw component of TDs exists.

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.

Interaction between a circular inclusion and an arbitrarily oriented crack

NASA Technical Reports Server (NTRS)

Erdogan, F.; Gupta, G. D.; Ratwani, M.

1975-01-01

The plane interaction problem for a circular elastic inclusion embedded in an elastic matrix which contains an arbitrarily oriented crack is considered. Using the existing solutions for the edge dislocations as Green's functions, first the general problem of a through crack in the form of an arbitrary smooth arc located in the matrix in the vicinity of the inclusion is formulated. The integral equations for the line crack are then obtained as a system of singular integral equations with simple Cauchy kernels. The singular behavior of the stresses around the crack tips is examined and the expressions for the stress-intensity factors representing the strength of the stress singularities are obtained in terms of the asymptotic values of the density functions of the integral equations. The problem is solved for various typical crack orientations and the corresponding stress-intensity factors are given.

Effect of annealing temperature on the thermal stress and dislocation density of mc-Si ingot grown by DS process for solar cell application

NASA Astrophysics Data System (ADS)

Sanmugavel, S.; Srinivasan, M.; Aravinth, K.; Ramasamy, P.

2018-04-01

90% of the solar industries are using crystalline silicon. Cost wise the multi-crystalline silicon solar cells are better compared to mono crystalline silicon. But because of the presence of grain boundaries, dislocations and impurities, the efficiency of the multi-crystalline silicon solar cells is lower than that of mono crystalline silicon solar cells. By reducing the defect and dislocation we can achieve high conversion efficiency. The velocity of dislocation motion increases with stress. By annealing the grown ingot at proper temperature we can decrease the stress and dislocation. Our simulation results show that the value of stress and dislocation density is decreased by annealing the grown ingot at 1400K and the input parameters can be implemented in real system to grow a better mc-Si ingot for energy harvesting applications.

Bending energy of buckled edge dislocations

NASA Astrophysics Data System (ADS)

Kupferman, Raz

2017-12-01

The study of elastic membranes carrying topological defects has a longstanding history, going back at least to the 1950s. When allowed to buckle in three-dimensional space, membranes with defects can totally relieve their in-plane strain, remaining with a bending energy, whose rigidity modulus is small compared to the stretching modulus. In this paper we study membranes with a single edge dislocation. We prove that the minimum bending energy associated with strain-free configurations diverges logarithmically with the size of the system.

Current Status of the Quality of 4H-SiC Substrates and Epilayers for Power Device Applications

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

Dudley, M.; Wang, H.; Guo, Jianqiu

ABSTRACT Interfacial dislocations (IDs) and half-loop arrays (HLAs) present in the epilayers of 4H-SiC crystal are known to have a deleterious effect on device performance. Synchrotron X-ray Topography studies carried out on n-type 4H-SiC offcut wafers before and after epitaxial growth show that in many cases BPD segments in the substrate are responsible for creating IDs and HLAs during CVD growth. This paper reviews the behaviors of BPDs in the substrate during the epitaxial growth in different cases: (1) screw-oriented BPD segments intersecting the surface replicate directly through the interface during the epitaxial growth and take part in stress relaxationmore » process by creating IDs and HLAs (Matthews-Blakeslee model [1] ); (2) non-screw oriented BPD half loop intersecting the surface glides towards and replicates through the interface, while the intersection points convert to threading edge dislocations (TEDs) and pin the half loop, leaving straight screw segments in the epilayer and then create IDs and HLAs; (3) edge oriented short BPD segments well below the surface get dragged towards the interface during epitaxial growth, leaving two long screw segments in their wake, some of which replicate through the interface and create IDs and HLAs. The driving force for the BPDs to glide toward the interface is thermal stress and driving force for the relaxation process to occur is the lattice parameter difference at growth temperature which results from the doping concentration difference between the substrate and epilayer.« less

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

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.

Quantifying the stress fields due to a delta-hydride precipitate in alpha-Zr matrix

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

Tummala, Hareesh; Capolungo, Laurent; Tome, Carlos N.

This report is a preliminary study on δ-hydride precipitate in zirconium alloy performed using 3D discrete dislocation dynamics simulations. The ability of dislocations in modifying the largely anisotropic stress fields developed by the hydride particle in a matrix phase is addressed for a specific dimension of the hydride. The influential role of probable dislocation nucleation at the hydride-matrix interface is reported. Dislocation nucleation around a hydride was found to decrease the shear stress (S 13) and also increase the normal stresses inside the hydride. We derive conclusions on the formation of stacks of hydrides in zirconium alloys. The contribution ofmore » mechanical fields due to dislocations was found to have a non-negligible effect on such process.« less

Time-dependent edge-notch sensitivity of oxide and gamma prime dispersion strengthened sheet materials at 1000 to 1800 F (538 - 982 C)

NASA Technical Reports Server (NTRS)

Wilson, D. J.

1972-01-01

Research was carried out to determine whether an oxide dispersion hardened alloy, TD-Ni, Cr, and low volume fraction gamma prime strengthened nickel-base alloy, Modified Waspaloy, were susceptible to time-dependent edge-notch sensitivity. The results were evaluated in terms of the mechanical characteristics of the alloys and the dislocation motion mechanisms operative. As far as could be determined, the results of the investigation were consistent with the following important concepts developed for Waspaloy and Inconel 718: (1) Time-dependent edge-notch sensitivity occurs when notched specimens are loaded below the approximate 0.2 percent smooth specimen offset yield strength and when data from smooth specimens indicate that small amounts of creep consume large rupture life fractions. (2) When precipitate particles are sheared by dislocations, the deformation is localized and time-dependent notch sensitivity occurs. When dislocations by-pass precipitate particles the deformation is homogeneous. Under these conditions, no time-dependent notch sensitivity has been observed.

New insights into microstructural evolution of epitaxial Ni-Mn-Ga films on MgO (1 0 0) substrate by high-resolution X-ray diffraction and orientation imaging investigations

NASA Astrophysics Data System (ADS)

Sharma, Amit; Mohan, Sangeneni; Suwas, Satyam

2018-04-01

In this work, a detailed investigation has been performed on hetero-epitaxial growth and microstructural evolution in highly oriented Ni-Mn-Ga (1 0 0) films grown on MgO (1 0 0) substrate using high-resolution X-ray diffraction and orientation imaging microscopy. Mosaicity of the films has been analysed in terms of tilt angle, twist angle, lateral and vertical coherence length and threading dislocation densities by performing rocking curve measurements and reciprocal space mapping. Density of edge dislocations is found to be an order of magnitude higher than the density of screw dislocations, irrespective of film thickness. X-ray pole figure measurements have revealed an orientation relationship of ? || (1 0 0)MgO; ? || [0 0 1]MgO between the film and substrate. Microstructure predicted by X-ray diffraction is in agreement with that obtained from electron microscopy and atomic force microscopy. The evolution of microstructure in the film with increasing thickness has been explained vis-à-vis dislocation generation and growth mechanisms. Orientation imaging microscopy observations indicate evolutionary growth of film by overgrowth mechanism. Decrease in coercivity with film thickness has been explained as an interplay between stress field developed due to crystal defects and magnetic domain pinning due to surface roughness.

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.

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

Glide of threading edge dislocations after basal plane dislocation conversion during 4H-SiC epitaxial growth

NASA Astrophysics Data System (ADS)

Abadier, Mina; Song, Haizheng; Sudarshan, Tangali S.; Picard, Yoosuf N.; Skowronski, Marek

2015-05-01

Transmission electron microscopy (TEM) and KOH etching were used to analyze the motion of dislocations after the conversion of basal plane dislocations (BPDs) to threading edge dislocations (TEDs) during 4H-SiC epitaxy. The locations of TED etch pits on the epilayer surface were shifted compared to the original locations of BPD etch pits on the substrate surface. The shift of the TED etch pits was mostly along the BPD line directions towards the up-step direction. For converted screw type BPDs, the conversion points were located below the substrate/epilayer interface. The shift distances in the step-flow direction were proportional to the depths of the BPD-TED conversion points below the substrate/epilayer interface. For converted mixed type BPDs, the conversion points were exactly at the interface. Through TEM analysis, it was concluded that the dislocation shift is caused by a combined effect of H2 etching prior to growth and glide of the threading segments during high temperature epitaxy. The TED glide is only possible for converted pure screw type BPDs and could present a viable means for eliminating BPDs from the epilayer during growth by moving the conversion point below the substrate/epilayer interface.

Burgers Vector Analysis of Vertical Dislocations in Ge Crystals by Large-Angle Convergent Beam Electron Diffraction.

PubMed

Groiss, Heiko; Glaser, Martin; Marzegalli, Anna; Isa, Fabio; Isella, Giovanni; Miglio, Leo; Schäffler, Friedrich

2015-06-01

By transmission electron microscopy with extended Burgers vector analyses, we demonstrate the edge and screw character of vertical dislocations (VDs) in novel SiGe heterostructures. The investigated pillar-shaped Ge epilayers on prepatterned Si(001) substrates are an attempt to avoid the high defect densities of lattice mismatched heteroepitaxy. The Ge pillars are almost completely strain-relaxed and essentially defect-free, except for the rather unexpected VDs. We investigated both pillar-shaped and unstructured Ge epilayers grown either by molecular beam epitaxy or by chemical vapor deposition to derive a general picture of the underlying dislocation mechanisms. For the Burgers vector analysis we used a combination of dark field imaging and large-angle convergent beam electron diffraction (LACBED). With LACBED simulations we identify ideally suited zeroth and second order Laue zone Bragg lines for an unambiguous determination of the three-dimensional Burgers vectors. By analyzing dislocation reactions we confirm the origin of the observed types of VDs, which can be efficiently distinguished by LACBED. The screw type VDs are formed by a reaction of perfect 60° dislocations, whereas the edge types are sessile dislocations that can be formed by cross-slips and climbing processes. The understanding of these origins allows us to suggest strategies to avoid VDs.

Structure of screw dislocation core in Ta at high pressure

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

Wang, Shaofeng, E-mail: sfwang@cqu.edu.cn; Jiang, Na; Wang, Rui

2014-03-07

The core structure and Peierls stress of the 1/2 〈111〉(110) screw dislocation in Ta have been investigated theoretically using the modified Peierls–Nabarro theory that takes into account the discreteness effect of crystal. The lattice constants, the elastic properties, and the generalized-stacking-fault energy(γ-surface) under the different pressures have been calculated from the electron density functional theory. The core structure of dislocation is determined by the modified Peierls equation, and the Peierls stress is evaluated from the dislocation energy that varies periodically as dislocation moves. The results show the core width and Peierls stress in Ta are weakly dependent of the pressuremore » up to 100 GPa when the length and stress are measured separately by the Burgers vector b and shear modulus μ. This indicates that core structure is approximately scaling invariant for the screw dislocation in Ta. The scaled plasticity of Ta changes little in high pressure environment.« less

Constitutive modeling of intrinsic and oxygen-contaminated silicon monocrystals in easy glide

NASA Astrophysics Data System (ADS)

Cochard, J.; Yonenaga, I.; Gouttebroze, S.; M'Hamdi, M.; Zhang, Z. L.

2010-11-01

We generalize in this work the constitutive model for silicon crystals of Alexander and Haasen. Strain-rate and temperature dependency of the mechanical behavior of intrinsic crystals are correctly accounted for into stage I of hardening. We show that the steady-state of deformation in stage I is very well reproduced in a wide range of temperature and strain rate. The case of extrinsic crystals containing high levels of dissolved oxygen is examined. The introduction of an effective density of mobile dislocations dependent on the unlocking stress created by oxygen atoms gathered at the dislocation cores is combined to an alteration of the dislocation multiplication rate, due to pinning of the dislocation line by oxygen atoms. This increases the upper yield stress with the bulk oxygen concentration in agreement with experimental observations. The fraction of effectively mobile dislocations is found to decay exponentially with the unlocking stress. Finally, the influence of oxygen migration back onto the dislocations from the bulk on the stress distribution in silicon bars is investigated.

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.

Growth and dislocation studies of β-HMX.

PubMed

Gallagher, Hugh G; Sherwood, John N; Vrcelj, Ranko M

2014-01-01

The defect structure of organic materials is important as it plays a major role in their crystal growth properties. It also can play a subcritical role in "hot-spot" detonation processes of energetics and one such energetic is cyclotetramethylene-tetranitramine, in the commonly used beta form (β-HMX). The as-grown crystals grown by evaporation from acetone show prismatic, tabular and columnar habits, all with {011}, {110}, (010) and (101) faces. Etching on (010) surfaces revealed three different types of etch pits, two of which could be identified with either pure screw or pure edge dislocations, the third is shown to be an artifact of the twinning process that this material undergoes. Examination of the {011} and {110} surfaces show only one type of etch pit on each surface; however their natural asymmetry precludes the easy identification of their Burgers vector or dislocation type. Etching of cleaved {011} surfaces demonstrates that the etch pits can be associated with line dislocations. All dislocations appear randomly on the crystal surfaces and do not form alignments characteristic of mechanical deformation by dislocation slip. Crystals of β-HMX grown from acetone show good morphological agreement with that predicted by modelling, with three distinct crystal habits observed depending upon the supersaturation of the growth solution. Prismatic habit was favoured at low supersaturation, while tabular and columnar crystals were predominant at higher super saturations. The twin plane in β-HMX was identified as a (101) reflection plane. The low plasticity of β-HMX is shown by the lack of etch pit alignments corresponding to mechanically induced dislocation arrays. On untwinned {010} faces, two types of dislocations exist, pure edge dislocations with b = [010] and pure screw dislocations with b = [010]. On twinned (010) faces, a third dislocation type exists and it is proposed that these pits are associated with pure screw dislocations with b = [010]. Graphical abstractEtch pits on the twinned (010) face of β-HMX.

Cellular dislocations patterns in monolike silicon: Influence of stress, time under stress and impurity doping

NASA Astrophysics Data System (ADS)

Oliveira, V. A.; Rocha, M.; Lantreibecq, A.; Tsoutsouva, M. G.; Tran-Thi, T. N.; Baruchel, J.; Camel, D.

2018-05-01

Besides the well-known local sub-grain boundaries (SGBs) defects, monolike Si ingots grown by Directional Solidification present distributed background cellular dislocation structures. In the present work, the influence of stress level, time under stress, and doping by O and Ge, on the formation of dislocation cells in monolike silicon, is analysed. This is achieved by performing a comparative study of the dislocation structures respectively obtained during crystallisation of pilot scale monolike ingots on Czochralski (CZ) and monolike seeds, during annealing of Float Zone (FZ), CZ, and 1 × 1020 at/cm3 Ge-doped CZ (GCZ) samples, and during 4-point bending of FZ and GCZ samples at 1300 °C under resolved stresses of 0.3, 0.7 and 1.9 MPa during 1-20 h. Synchrotron X-ray White-beam Topography and Rocking Curve Imaging (RCI) are applied to visualize the dislocation arrangements and to quantify the spatial distribution of the associated lattice distortions. Annealed samples and samples bent under 0.3 MPa present dislocation structures corresponding to transient creep stages where dislocations generated from surface defects are propagating and multiplying in the bulk. The addition of the hardening element Ge is found to block the propagation of dislocations from these surface sources during the annealing test, and to retard dislocation multiplication during bending under 0.3 MPa. On the opposite, cellular structures corresponding to the final stationary creep stage are obtained both in the non-molten seeds and grown part of monolike ingots and in samples bent under 0.7 and 1.9 MPa. A comparative discussion is made of the dynamics of formation of these final dislocation structures during deformation at high temperature and monolike growth.

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.

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.

Comparison of dislocation content measured with transmission electron microscopy and micro-Laue diffraction based streak analysis

DOE PAGES

Zhang, C.; Balachandran, S.; Eisenlohr, P.; ...

2017-10-04

The subsurface dislocation content in a Ti-5Al-2.5Sn (wt%) uniaxial tension sample deformed at ambient temperature was characterized by peak streak analysis of micro-Laue diffraction patterns collected non-destructively by differential aperture X-raymicroscopy, and with focused ion beam transmission electron microscopy of material in the same volume. This comparison reveals that micro-Laue diffraction streak analysis based on an edge dislocation assumption can accurately identify the dominant dislocation slip system history (Burgers vector and plane observed by TEM), despite the fact that dislocations have predominantly screw character. As a result, other dislocations identified by TEM were not convincingly discernible from the peak streakmore » analysis.« less

Comparison of dislocation content measured with transmission electron microscopy and micro-Laue diffraction based streak analysis

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

Zhang, C.; Balachandran, S.; Eisenlohr, P.

The subsurface dislocation content in a Ti-5Al-2.5Sn (wt%) uniaxial tension sample deformed at ambient temperature was characterized by peak streak analysis of micro-Laue diffraction patterns collected non-destructively by differential aperture X-raymicroscopy, and with focused ion beam transmission electron microscopy of material in the same volume. This comparison reveals that micro-Laue diffraction streak analysis based on an edge dislocation assumption can accurately identify the dominant dislocation slip system history (Burgers vector and plane observed by TEM), despite the fact that dislocations have predominantly screw character. As a result, other dislocations identified by TEM were not convincingly discernible from the peak streakmore » analysis.« less

Microstructural investigation of plastically deformed Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy by X-ray diffraction and transmission electron microscopy

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

Dirras, G., E-mail: dirras@univ-paris13.fr; Gubicza, J.; Heczel, A.

2015-10-15

The microstructure evolution in body-centered cubic (bcc) Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy during quasi-static compression test was studied by X-ray line profile analysis (XLPA) and transmission electron microscopy (TEM). The average lattice constant and other important parameters of the microstructure such as the mean crystallite size, the dislocation density and the edge/screw character of dislocations were determined by XLPA. The elastic anisotropy factor required for XLPA procedure was determined by nanoindentation. XLPA shows that the crystallite size decreased while the dislocation density increased with strain during compression, and their values reached about 39 nm and 15more » × 10{sup 14} m{sup −2}, respectively, at a plastic strain of ~ 20%. It was revealed that with increasing strain the dislocation character became more screw. This can be explained by the reduced mobility of screw dislocations compared to edge dislocations in bcc structures. These observations are in line with TEM investigations. The development of dislocation density during compression was related to the yield strength evolution. - Highlights: • Ti{sub 20}Zr{sub 20}Hf{sub 20}Nb{sub 20}Ta{sub 20} high entropy alloy was processed by arc-melting. • The mechanical was evaluated by RT compression test. • The microstructure evolution was studied by XLPA and TEM. • With increasing strain the dislocation character became more screw. • The yield strength was related to the development of the dislocation density.« less

The inhibiting effect of dislocation helices on the stress-induced orientation of S' precipitates in Al–Cu–Mg alloy

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

Guo, Xiaobin; Deng, Yunlai, E-mail: luckdeng@csu.edu.cn; State Key Laboratory of High Performance and Complex Manufacturing, Central South University, Changsha

The phenomenon of restrained stress-induced preferential orientation of S′ precipitates is investigated using a single-crystal of Al–1.23Cu–0.43 Mg alloy. Al–1.23Cu–0.43 Mg single-crystal specimens are subjected to stress aging, and the microstructure is analyzed by transmission electron microscopy (TEM). It is found that the stress-induced preferential orientation of S′ precipitates is restrained owing to the dislocations produced by a higher stress. The effect of dislocations on the oriented precipitates depends on the total length of the intersection lines for precipitate habit planes and dislocation glide planes. This investigation not only provides important insight into solving the anisotropy problem attributed to precipitationmore » strengthening, but also offers a benchmark for choosing the appropriate stress range in manufacturing of Al–Cu–Mg alloys. - Highlights: • Single crystals of an Al–Cu–Mg alloy were prepared for the investigations. • A phenomenon of restrained stress-induced preferential orientation of S′ precipitates was found. • The influence of dislocation helices on precipitation during stress-aging was studied. • Difference of orientation degree of S′ precipitates and θ′ precipitates was explained. • A basis for choosing the appropriate stress range in manufacturing of Al–Cu–Mg alloys is provided.« less

Origin of tension-compression asymmetry in ultrafine-grained fcc metals

NASA Astrophysics Data System (ADS)

Tsuru, T.

2017-08-01

A mechanism of anomalous tension-compression (T-C) asymmetry in ultrafine-grained (UFG) metals is proposed using large-scale atomistic simulations and dislocation theory. Unlike coarse-grained metals, UFG Al exhibits remarkable T-C asymmetry of the yield stress. The atomistic simulations reveal that the yield event is not related to intragranular dislocations but caused by dislocation nucleation from the grain boundaries (GBs). The dislocation core structure associated with the stacking fault energy in Al is strongly affected by the external stress compared with Cu; specifically, high tensile stress stabilizes the dissociation into partial dislocations. These dislocations are more likely to be nucleated from GBs and form deformation twins from an energetic viewpoint. The mechanism, which is different from well-known mechanisms for nanocrystalline and amorphous metals, is unique to high-strength UFG metals and can explain the difference in T-C asymmetry between UFG Cu and Al.

Nano-indentation used to study pyramidal slip in GaN single crystals

NASA Astrophysics Data System (ADS)

Krimsky, E.; Jones, K. A.; Tompkins, R. P.; Rotella, P.; Ligda, J.; Schuster, B. E.

2018-02-01

The nucleation and structure of dislocations created by the nano-indentation of GaN samples with dislocation densities ≈103, 106 or 109 ⊥/cm2 were studied in the interest of learning how dislocations can be created to relieve the mismatch strain in ternary nitride films grown on (0001) oriented binary nitride substrates. Using transmission electron microscopy and stress analyses to assist in interpreting the nano-indentation data, we determined that the pop-ins in the indenter load vs. penetration depth curves are created by an avalanche process at stresses well above the typical yield stress. The process begins by the homogeneous formation of a basal plane screw dislocation that triggers the formation of pyramidal and other basal plane dislocations that relieve the excess stored elastic energy. It appears that pyramidal slip can occur on either the {1122} or {0111} planes, as there is little resistance to the cross slip of screw dislocations.

Curvature and bow of bulk GaN substrates

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

Foronda, Humberto M.; Young, Erin C.; Robertson, Christian A.

2016-07-21

We investigate the bow of free standing (0001) oriented hydride vapor phase epitaxy grown GaN substrates and demonstrate that their curvature is consistent with a compressive to tensile stress gradient (bottom to top) present in the substrates. The origin of the stress gradient and the curvature is attributed to the correlated inclination of edge threading dislocation (TD) lines away from the [0001] direction. A model is proposed and a relation is derived for bulk GaN substrate curvature dependence on the inclination angle and the density of TDs. The model is used to analyze the curvature for commercially available GaN substratesmore » as determined by high resolution x-ray diffraction. The results show a close correlation between the experimentally determined parameters and those predicted from theoretical model.« less

Analysis of silicon stress/strain relationships

NASA Technical Reports Server (NTRS)

Dillon, O.

1986-01-01

Results are presented for work on stress-strain relationships in silicon ribbon. Calculations of stress fields, dislocation desities, and buckling were made; uniaxial tensile tests were made on silicon at 1150 C; and dislocation motion studies were performed.

DEFORMATION PROCESSES IN MATERIALS. Final Report

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

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

1962-08-01

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

Dislocation blocking by AlGaN hot electron injecting layer in the epitaxial growth of GaN terahertz Gunn diode

NASA Astrophysics Data System (ADS)

Li, Liang; Yang, Lin'an; Zhang, Jincheng; Hao, Yue

2013-09-01

This paper reports an efficient method to improve the crystal quality of GaN Gunn diode with AlGaN hot electron injecting layer (HEI). An evident reduction of screw dislocation and edge dislocation densities is achieved by the strain management and the enhanced lateral growth in high temperature grown AlGaN HEI layer. Compared with the top hot electron injecting layer (THEI) structure, the bottom hot electron injecting layer (BHEI) structure enhances the crystal quality of transit region due to the growth sequence modulation of HEI layer. A high Hall mobility of 2934 cm2/Vs at 77 K, a nearly flat downtrend of Hall mobility at the temperature ranging from 300 to 573 K, a low intensity of ratio of yellow luminescence band to band edge emission, a narrow band edge emission line-width, and a smooth surface morphology are observed for the BHEI structural epitaxy of Gunn diode, which indicates that AlGaN BHEI structure is a promising candidate for fabrication of GaN Gunn diodes in terahertz regime.

EBIC/TEM investigations of defects in solar silicon ribbon materials

NASA Technical Reports Server (NTRS)

Ast, D. G.

1981-01-01

Transmission electron microscopy was used to investigate the defect structure of edge defined film growth (EFG) material, web dentritic ribbons (WEB), and ribbon to ribbon recrystallized material (RTR). The most common defects in all these materials are coherent first order twin boundaries. These coherent twins can be very thin, a few atomic layers. Bundles of the twins which contain odd numbers of twins will in optical images appear as a seemingly single first twin boundary. First-order coherent twin boundaries are not electrically active, except at locations where they contain intrinsic (grain boundary) dislocations. These dislocations take up small deviations from the ideal twin relation and play the same role in twin boundaries as conventional and play the some role in twin boundaries as conventional edge and screw dislocations in small angle tilt and twist boundaries.

Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

DOE PAGES

Eghtesad, Adnan; Germaschewski, Kai; Beyerlein, Irene J.; ...

2017-10-14

We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processingmore » unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedup relative to the serial version and a 5X speedup relative to the 22-multicore Intel Xeon CPU E5-2699 v4 @ 2.20 GHz version of the code.« less

Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

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

Eghtesad, Adnan; Germaschewski, Kai; Beyerlein, Irene J.

We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processingmore » unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedup relative to the serial version and a 5X speedup relative to the 22-multicore Intel Xeon CPU E5-2699 v4 @ 2.20 GHz version of the code.« less

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.

Strength and Dislocation Structure Evolution of Small Metals under Vibrations

NASA Astrophysics Data System (ADS)

Ngan, Alfonso

2015-03-01

It is well-known that ultrasonic vibration can soften metals, and this phenomenon has been widely exploited in industrial applications concerning metal forming and bonding. In this work, we explore the effects of a superimposed small oscillatory load on metal plasticity, from the nano- to macro-size range, and from audible to ultrasonic frequency ranges. Macroscopic and nano-indentation were performed on aluminum, copper and molybdenum, and the results show that the simultaneous application of oscillatory stresses can lower the hardness of these samples. More interestingly, EBSD and TEM observations show that subgrain formation and reduction in dislocation density generally occurred when stress oscillations were applied. These findings point to an important knowledge gap in metal plasticity - the existing understanding of ultrasound softening in terms of the vibrations either imposing additional stress waves to augment the quasi-static applied load, or heating up the metal, whereas the metal's intrinsic deformation resistance or dislocation interactive processes are assumed unaltered by the ultrasound, is proven wrong by the present results. Furthermore, in the case of nanoindentation, the Continuous Stiffness Measurement technique for contact stiffness measurement assumes that the imposed signal-carrier oscillations do not intrinsically alter the material properties of the specimen, and again, the present results prove that this can be wrong. To understand the enhanced subgrain formation and dislocation annihilation, Discrete Dislocation Dynamics (DDD) simulations were carried out and these show that when an oscillatory stress is superimposed on a quasi-static applied stress, reversals of motion of dislocations may occur, and these allow the dislocations to revisit repeatedly suitable configurations for annihilation. DDD, however, was unable to predict the observed subgrain formation presumably because the number of dislocations that can be handled is not large enough. Subgrain formation was directly predicted by a new simulation method of dislocation plasticity based on the dynamics of dislocation density functions.

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.

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.

Effect of Temper Condition on Stress Relaxation Behavior of an Aluminum Copper Lithium Alloy

NASA Astrophysics Data System (ADS)

Mishra, Sumeet; Beura, Vikrant Kumar; Singh, Amit; Yadava, Manasij; Nayan, Niraj

2018-07-01

Deformation behavior of an Al-Cu-Li alloy in different temper conditions (solutionized and T8) is investigated using stress relaxation tests. Fundamental parameters such as the apparent and physical activation volume, strain rate sensitivity, effective stress, and exhaustion rate of mobile dislocation density are determined from single and multiple relaxation tests. It was found that dislocation-dislocation interaction controls the kinetics of plastic deformation in the solutionized sample, whereas dislocation-precipitate interaction is the overriding factor in the presence of T1 precipitates. The apparent activation volume was found to be significantly lower in the presence of T1 precipitates compared with solutionized samples. Strain rate sensitivity and effective stress were found to be higher in the presence of T1 precipitates. In addition, multiple relaxation tests showed that irrespective of microstructural features (solutes, semi-coherent precipitates), the mobile dislocation density reduces during the relaxation period. Further evidence regarding reduction in mobile dislocation density is obtained from uniaxial tensile tests carried out after stress relaxation tests, where both solutionized and T8 samples show an increase in strength. Additional discussion on relaxation strain is included to provide a complete overview regarding the time-dependent deformation behavior of the Al-Cu-Li alloy in different temper conditions.

Effect of Temper Condition on Stress Relaxation Behavior of an Aluminum Copper Lithium Alloy

NASA Astrophysics Data System (ADS)

Mishra, Sumeet; Beura, Vikrant Kumar; Singh, Amit; Yadava, Manasij; Nayan, Niraj

2018-04-01

Deformation behavior of an Al-Cu-Li alloy in different temper conditions (solutionized and T8) is investigated using stress relaxation tests. Fundamental parameters such as the apparent and physical activation volume, strain rate sensitivity, effective stress, and exhaustion rate of mobile dislocation density are determined from single and multiple relaxation tests. It was found that dislocation-dislocation interaction controls the kinetics of plastic deformation in the solutionized sample, whereas dislocation-precipitate interaction is the overriding factor in the presence of T1 precipitates. The apparent activation volume was found to be significantly lower in the presence of T1 precipitates compared with solutionized samples. Strain rate sensitivity and effective stress were found to be higher in the presence of T1 precipitates. In addition, multiple relaxation tests showed that irrespective of microstructural features (solutes, semi-coherent precipitates), the mobile dislocation density reduces during the relaxation period. Further evidence regarding reduction in mobile dislocation density is obtained from uniaxial tensile tests carried out after stress relaxation tests, where both solutionized and T8 samples show an increase in strength. Additional discussion on relaxation strain is included to provide a complete overview regarding the time-dependent deformation behavior of the Al-Cu-Li alloy in different temper conditions.

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

An open canvas--2D materials with defects, disorder, and functionality.

PubMed

Zou, Xiaolong; Yakobson, Boris I

2015-01-20

CONSPECTUS: While some exceptional properties are unique to graphene only (its signature Dirac-cone gapless dispersion, carrier mobility, record strength), other features are common to other two-dimensional materials. The broader family "beyond graphene" offers greater choices to be explored and tailored for various applications. Transition metal dichalcogenides (TMDCs), hexagonal boron nitride (h-BN), and 2D layers of pure elements, like phosphorus or boron, can complement or even surpass graphene in many ways and uses, ranging from electronics and optoelectronics to catalysis and energy storage. Their availability greatly relies on chemical vapor deposition growth of large samples, which are highly polycrystalline and include interfaces such as edges, heterostructures, and grain boundaries, as well as dislocations and point defects. These imperfections do not always degrade the material properties, but they often bring new physics and even useful functionality. It turns particularly interesting in combination with the sheer openness of all 2D sheets, fully exposed to the environment, which, as we show herein, can change and tune the defect structures and consequently all their qualities, from electronic levels, conductivity, magnetism, and optics to structural mobility of dislocations and catalytic activities. In this Account, we review our progress in understanding of various defects. We begin by expressing the energy of an arbitrary graphene edge analytically, so that the environment is regarded by "chemical phase shift". This has profound implications for graphene and carbon nanotube growth. Generalization of this equation to heteroelemental BN gives a method to determine the energy for arbitrary edges of BN, depending on the partial chemical potentials. This facilitates the tuning of the morphology and electronic and magnetic properties of pure BN or hybrid BN|C systems. Applying a similar method to three-atomic-layer TMDCs reveals more diverse edge structures for thermodynamically stable flakes. Moreover, CVD samples show new types of edge reconstruction, providing insight into the nonequilibrium growth process. Combining dislocation theory with first-principles computations, we could predict the dislocation cores for BN and TMDC and reveal their variable chemical makeup. This lays the foundation for the unique sensitivity to ambient conditions. For example, partial occupation of the defect states for dislocations in TMDCs renders them intrinsically magnetic. The exchange coupling between electrons from neighboring dislocations in grain boundaries further makes them half-metallic, which may find its applications in spintronics. Finally, brief discussion of monoelemental 2D-layer phosphorus and especially the structures and growth routes of 2D boron shows how theoretical assessment can help the quest for new synthetic routes.

Quantification of dislocation nucleation stress in TiN through high-resolution in situ indentation experiments and first principles calculations

DOE PAGES

Li, N.; Yadav, S. K.; Liu, X. -Y.; ...

2015-11-05

Using the in situ indentation of TiN in a high-resolution transmission electron microscope, the nucleation of full as well as partial dislocations has been observed from {001} and {111} surfaces, respectively. The critical elastic strains associated with the nucleation of the dislocations were analyzed from the recorded atomic displacements, and the nucleation stresses corresponding to the measured critical strains were computed using density functional theory. The resolved shear stress was estimated to be 13.8 GPa for the partial dislocation 1/6 <110> {111} and 6.7 GPa for the full dislocation ½ <110> {110}. Moreover, such an approach of quantifying nucleation stressesmore » for defects via in situ high-resolution experiment coupled with density functional theory calculation may be applied to other unit processes.« less

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

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

Hmelo, A.B.

1987-01-01

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

Internal friction and dislocation collective pinning in disordered quenched solid solutions

NASA Astrophysics Data System (ADS)

D'Anna, G.; Benoit, W.; Vinokur, V. M.

1997-12-01

We introduce the collective pinning of dislocations in disordered quenched solid solutions and calculate the macroscopic mechanical response to a small dc or ac applied stress. This work is a generalization of the Granato-Lücke string model, able to describe self-consistently short and long range dislocation motion. Under dc applied stress the long distance dislocation creep has at the microscopic level avalanche features, which result in a macroscopic nonlinear "glassy" velocity-stress characteristic. Under ac conditions the model predicts, in addition to the anelastic internal friction relaxation in the high frequency regime, a linear internal friction background which remains amplitude-independent down to a crossover frequency to a strongly nonlinear internal friction regime.

Observation of Threading Dislocations in Ammonothermal Gallium Nitride Single Crystal Using Synchrotron X-ray Topography

NASA Astrophysics Data System (ADS)

Yao, Y.; Ishikawa, Y.; Sugawara, Y.; Takahashi, Y.; Hirano, K.

2018-04-01

Synchrotron monochromatic-beam x-ray topography observation has been performed on high-quality ammonothermal gallium nitride single crystal to evaluate threading dislocations (TD) in a nondestructive manner. Asymmetric diffractions with six equivalent g-vectors of 11-26, in addition to a symmetric diffraction with g = 0008, were applied to determine the Burgers vectors (b) of dislocations. It was found that pure edge-type TDs with \\varvec b = < {11 - 20} > /3 did not exist in the sample. A dominant proportion of TDs were of mixed type with \\varvec b = < {11 - 20} > /3 + < {0001} > , i.e., so-called c + a dislocations. Pure 1c screw dislocations with \\varvec b = < {0001} > and TDs with c-component larger than 1c were also observed.

Method to reduce dislocation density in silicon using stress

DOEpatents

Buonassisi, Anthony; Bertoni, Mariana; Argon, Ali; Castellanos, Sergio; Fecych, Alexandria; Powell, Douglas; Vogl, Michelle

2013-03-05

A crystalline material structure with reduced dislocation density and method of producing same is provided. The crystalline material structure is annealed at temperatures above the brittle-to-ductile transition temperature of the crystalline material structure. One or more stress elements are formed on the crystalline material structure so as to annihilate dislocations or to move them into less harmful locations.

The Stress-Dependent Activation Parameters for Dislocation Nucleation in Molybdenum Nanoparticles.

PubMed

Chachamovitz, Doron; Mordehai, Dan

2018-03-02

Many specimens at the nanoscale are pristine of dislocations, line defects which are the main carriers of plasticity. As a result, they exhibit extremely high strengths which are dislocation-nucleation controlled. Since nucleation is a thermally activated process, it is essential to quantify the stress-dependent activation parameters for dislocation nucleation in order to study the strength of specimens at the nanoscale and its distribution. In this work, we calculate the strength of Mo nanoparticles in molecular dynamics simulations and we propose a method to extract the activation free-energy barrier for dislocation nucleation from the distribution of the results. We show that by deforming the nanoparticles at a constant strain rate, their strength distribution can be approximated by a normal distribution, from which the activation volumes at different stresses and temperatures are calculated directly. We found that the activation energy dependency on the stress near spontaneous nucleation conditions obeys a power-law with a critical exponent of approximately 3/2, which is in accordance with critical exponents found in other thermally activated processes but never for dislocation nucleation. Additionally, significant activation entropies were calculated. Finally, we generalize the approach to calculate the activation parameters for other driving-force dependent thermally activated processes.

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

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

NASA Astrophysics Data System (ADS)

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

2015-03-01

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

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.

Atomically informed nonlocal semi-discrete variational Peierls-Nabarro model for planar core dislocations

PubMed Central

Liu, Guisen; Cheng, Xi; Wang, Jian; Chen, Kaiguo; Shen, Yao

2017-01-01

Prediction of Peierls stress associated with dislocation glide is of fundamental concern in understanding and designing the plasticity and mechanical properties of crystalline materials. Here, we develop a nonlocal semi-discrete variational Peierls-Nabarro (SVPN) model by incorporating the nonlocal atomic interactions into the semi-discrete variational Peierls framework. The nonlocal kernel is simplified by limiting the nonlocal atomic interaction in the nearest neighbor region, and the nonlocal coefficient is directly computed from the dislocation core structure. Our model is capable of accurately predicting the displacement profile, and the Peierls stress, of planar-extended core dislocations in face-centered cubic structures. Our model could be extended to study more complicated planar-extended core dislocations, such as <110> {111} dislocations in Al-based and Ti-based intermetallic compounds. PMID:28252102

Correlations between critical current density, j{sub c}, critical temperature, T{sub c}, and structural quality of Y{sub 1}B{sub 2}Cu{sub 3}O{sub 7-x} thin superconducting films

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

Chrzanowski, J.; Xing, W.B.; Atlan, D.

1994-12-31

Correlations between critical current density (j{sub c}) critical temperature (T{sub c}) and the density of edge dislocations and nonuniform strain have been observed in YBCO thin films deposited by pulsed laser ablation on (001) LaAlO{sub 3} single crystals. Distinct maxima in j{sub c} as a function of the linewidths of the (00{ell}) Bragg reflections and as a function of the mosaic spread have been found in the epitaxial films. These maxima in j{sub c} indicate that the magnetic flux lines, in films of structural quality approaching that of single crystals, are insufficiently pinned which results in a decreased critical currentmore » density. T{sub c} increased monotonically with improving crystalline quality and approached a value characteristic of a pure single crystal. A strong correlation between j{sub c} and the density of edge dislocations N{sub D} was found. At the maximum of the critical current density the density of edge dislocations was estimated to be N{sub D}{approximately}1-2 x 10{sup 9}/cm{sup 2}.« less

Correlations between critical current density, j(sub c), critical temperature, T(sub c),and structural quality of Y1B2Cu3O(7-x) thin superconducting films

NASA Technical Reports Server (NTRS)

Chrzanowski, J.; Xing, W. B.; Atlan, D.; Irwin, J. C.; Heinrich, B.; Cragg, R. A.; Zhou, H.; Angus, V.; Habib, F.; Fife, A. A.

1995-01-01

Correlations between critical current density (j(sub c)) critical temperature (T(sub c)) and the density of edge dislocations and nonuniform strain have been observed in YBCO thin films deposited by pulsed laser ablation on (001) LaAlO3 single crystals. Distinct maxima in j(sub c) as a function of the linewidths of the (00 l) Bragg reflections and as a function of the mosaic spread have been found in the epitaxial films. These maxima in j(sub c) indicate that the magnetic flux lines, in films of structural quality approachingthat of single crystals, are insufficiently pinned which results in a decreased critical current density. T(sub c) increased monotonically with improving crystalline quality and approached a value characteristic of a pure single crystal. A strong correlation between j(sub c) and the density of edge dislocations ND was found. At the maximum of the critical current density the density of edge dislocations was estimated to be N(sub D) approximately 1-2 x 10(exp 9)/sq cm.

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.

Computational analysis of heat transfer, thermal stress and dislocation density during resistively Czochralski growth of germanium single crystal

NASA Astrophysics Data System (ADS)

Tavakoli, Mohammad Hossein; Renani, Elahe Kabiri; Honarmandnia, Mohtaram; Ezheiyan, Mahdi

2018-02-01

In this paper, a set of numerical simulations of fluid flow, temperature gradient, thermal stress and dislocation density for a Czochralski setup used to grow IR optical-grade Ge single crystal have been done for different stages of the growth process. A two-dimensional steady state finite element method has been applied for all calculations. The obtained numerical results reveal that the thermal field, thermal stress and dislocation structure are mainly dependent on the crystal height, heat radiation and gas flow in the growth system.

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.

Plastic deformation of a magnesium oxide 001-plane surface produced by cavitation

NASA Technical Reports Server (NTRS)

Hattori, S.; Miyoshi, K.; Buckley, D. H.; Okada, T.

1986-01-01

An investigation was conducted to examine plastic deformation of a cleaved single-crystal magnesium oxide 001-plane surface exposed to cavitation. Cavitation damage experiments were carried out in distilled water at 25 C by using a magnetostrictive oscillator in close proximity (2 mm) to the surface of the cleaved specimen. The dislocation-etch-pit patterns induced by cavitation were examined and compared with that of microhardness indentations. The results revealed that dislocation-etch-pit patterns around hardness indentations contain both screw and edge dislocations, while the etch-pit patterns on the surface exposed to cavitation contain only screw dislocations. During cavitation, deformation occurred in a thin surface layer, accompanied by work-hardening of the ceramic. The row of screw dislocations underwent a stable growth, which was analyzed crystallographically.

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.

Stress and temperature dependence of screw dislocation mobility in {alpha}-Fe by molecular dynamics

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

Gilbert, M. R.; Queyreau, S.; Marian, J.

2011-11-01

The low-temperature plastic yield of {alpha}-Fe single crystals is known to display a strong temperature dependence and to be controlled by the thermally activated motion of screw dislocations. In this paper, we present molecular dynamics simulations of (1/2)<111>{l_brace}112{r_brace} screw dislocation motion as a function of temperature and stress in order to extract mobility relations that describe the general dynamic behavior of screw dislocations in pure {alpha}-Fe. We find two dynamic regimes in the stress-velocity space governed by different mechanisms of motion. Consistent with experimental evidence, at low stresses and temperatures, the dislocations move by thermally activated nucleation and propagation ofmore » kink pairs. Then, at a critical stress, a temperature-dependent transition to a viscous linear regime is observed. Critical output from the simulations, such as threshold stresses and the stress dependence of the kink activation energy, are compared to experimental data and other atomistic works with generally very good agreement. Contrary to some experimental interpretations, we find that glide on {l_brace}112{r_brace} planes is only apparent, as slip always occurs by elementary kink-pair nucleation/propagation events on {l_brace}110{r_brace} planes. Additionally, a dislocation core transformation from compact to dissociated has been identified above room temperature, although its impact on the general mobility is seen to be limited. This and other observations expose the limitations of inferring or presuming dynamic behavior on the basis of only static calculations. We discuss the relevance and applicability of our results and provide a closed-form functional mobility law suitable for mesoscale computational techniques.« less

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.

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

Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study

DOE PAGES

Xu, Shuozhi; Xiong, Liming; Chen, Youping; ...

2016-01-29

Sequential slip transfer across grain boundaries (GB) has an important role in size-dependent propagation of plastic deformation in polycrystalline metals. For example, the Hall–Petch effect, which states that a smaller average grain size results in a higher yield stress, can be rationalised in terms of dislocation pile-ups against GBs. In spite of extensive studies in modelling individual phases and grains using atomistic simulations, well-accepted criteria of slip transfer across GBs are still lacking, as well as models of predicting irreversible GB structure evolution. Slip transfer is inherently multiscale since both the atomic structure of the boundary and the long-range fieldsmore » of the dislocation pile-up come into play. In this work, concurrent atomistic-continuum simulations are performed to study sequential slip transfer of a series of curved dislocations from a given pile-up on Σ3 coherent twin boundary (CTB) in Cu and Al, with dominant leading screw character at the site of interaction. A Frank-Read source is employed to nucleate dislocations continuously. It is found that subject to a shear stress of 1.2 GPa, screw dislocations transfer into the twinned grain in Cu, but glide on the twin boundary plane in Al. Moreover, four dislocation/CTB interaction modes are identified in Al, which are affected by (1) applied shear stress, (2) dislocation line length, and (3) dislocation line curvature. Our results elucidate the discrepancies between atomistic simulations and experimental observations of dislocation-GB reactions and highlight the importance of directly modeling sequential dislocation slip transfer reactions using fully 3D models.« less

Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study

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

Xu, Shuozhi; Xiong, Liming; Chen, Youping

Sequential slip transfer across grain boundaries (GB) has an important role in size-dependent propagation of plastic deformation in polycrystalline metals. For example, the Hall–Petch effect, which states that a smaller average grain size results in a higher yield stress, can be rationalised in terms of dislocation pile-ups against GBs. In spite of extensive studies in modelling individual phases and grains using atomistic simulations, well-accepted criteria of slip transfer across GBs are still lacking, as well as models of predicting irreversible GB structure evolution. Slip transfer is inherently multiscale since both the atomic structure of the boundary and the long-range fieldsmore » of the dislocation pile-up come into play. In this work, concurrent atomistic-continuum simulations are performed to study sequential slip transfer of a series of curved dislocations from a given pile-up on Σ3 coherent twin boundary (CTB) in Cu and Al, with dominant leading screw character at the site of interaction. A Frank-Read source is employed to nucleate dislocations continuously. It is found that subject to a shear stress of 1.2 GPa, screw dislocations transfer into the twinned grain in Cu, but glide on the twin boundary plane in Al. Moreover, four dislocation/CTB interaction modes are identified in Al, which are affected by (1) applied shear stress, (2) dislocation line length, and (3) dislocation line curvature. Our results elucidate the discrepancies between atomistic simulations and experimental observations of dislocation-GB reactions and highlight the importance of directly modeling sequential dislocation slip transfer reactions using fully 3D models.« less

Method of inhibiting dislocation generation in silicon dendritic webs

DOEpatents

Spitznagel, John A.; Seidensticker, Raymond G.; McHugh, James P.

1990-11-20

A method of tailoring the heat balance of the outer edge of the dendrites adjacent the meniscus to produce thinner, smoother dendrites, which have substantially less dislocation sources contiguous with the dendrites, by changing the view factor to reduce radiation cooling or by irradiating the dendrites with light from a quartz lamp or a laser to raise the temperature of the dendrites.

An extended 3D discrete-continuous model and its application on single- and bi-crystal micropillars

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Liang, Shuang; Li, Zhenhuan

2017-04-01

A 3D discrete-continuous model (3D DCM), which couples the 3D discrete dislocation dynamics (3D DDD) and finite element method (FEM), is extended in this study. New schemes for two key information transfers between DDD and FEM, i.e. plastic-strain distribution from DDD to FEM and stress transfer from FEM to DDD, are suggested. The plastic strain induced by moving dislocation segments is distributed to an elementary spheroid (ellipsoid or sphere) via a specific new distribution function. The influence of various interfaces (such as free surfaces and grain boundaries (GBs)) on the plastic-strain distribution is specially considered. By these treatments, the deformation fields can be solved accurately even for dislocations on slip planes severely inclined to the FE mesh, with no spurious stress concentration points produced. In addition, a stress correction by singular and non-singular theoretical solutions within a cut-off sphere is introduced to calculate the stress on the dislocations accurately. By these schemes, the present DCM becomes less sensitive to the FE mesh and more numerically efficient, which can also consider the interaction between neighboring dislocations appropriately even though they reside in the same FE mesh. Furthermore, the present DCM has been employed to model the compression of single-crystal and bi-crystal micropillars with rigid and dislocation-absorbed GBs. The influence of internal GB on the jerky stress-strain response and deformation mode is studied in detail to shed more light on these important micro-plastic problems.

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.

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.

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

DOE PAGES

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.; ...

2016-12-01

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Neutron diffraction measurement of residual stresses, dislocation density and texture in Zr-bonded U-10Mo “mini” fuel foils and plates

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

Brown, Donald William; Okuniewski, Maria A.; Sisneros, Thomas A.

Here, Al clad U-10Mo fuel plates are being considered for conversion of several research reactors from high-enriched to low-enriched U fuel. Neutron diffraction measurements of the textures, residual phase stresses, and dislocation densities in the individual phases of the mini-foils throughout several processing steps and following hot-isostatic pressing to the Al cladding, have been completed. Recovery and recrystallization of the bare U-10Mo fuel foil, as indicated by the dislocation density and texture, are observed depending on the state of the material prior to annealing and the duration and temperature of the annealing process. In general, the cladding procedure significantly reducesmore » the dislocation density, but the final state of the clad plate, both texture and dislocation density, depends strongly on the final processing step of the fuel foil. In contrast, the residual stress state of the final plate is dominated by the thermal expansion mismatch of the constituent materials.« less

Mean stress and the exhaustion of fatigue-damage resistance

NASA Technical Reports Server (NTRS)

Berkovits, Avraham

1989-01-01

Mean-stress effects on fatigue life are critical in isothermal and thermomechanically loaded materials and composites. Unfortunately, existing mean-stress life-prediction methods do not incorporate physical fatigue damage mechanisms. An objective is to examine the relation between mean-stress induced damage (as measured by acoustic emission) and existing life-prediction methods. Acoustic emission instrumentation has indicated that, as with static yielding, fatigue damage results from dislocation buildup and motion until dislocation saturation is reached, after which void formation and coalescence predominate. Correlation of damage processes with similar mechanisms under monotonic loading led to a reinterpretation of Goodman diagrams for 40 alloys and a modification of Morrow's formulation for life prediction under mean stresses. Further testing, using acoustic emission to monitor dislocation dynamics, can generate data for developing a more general model for fatigue under mean stress.

Revealing microstructure and dislocation behavior in BAlN/AlGaN heterostructures

NASA Astrophysics Data System (ADS)

Sun, Haiding; Wu, Feng; Park, Young Jae; tahtamouni, T. M. Al; Liao, Che-Hao; Guo, Wenzhe; Alfaraj, Nasir; Li, Kuang-Hui; Anjum, Dalaver H.; Detchprohm, Theeradetch; Dupuis, Russell D.; Li, Xiaohang

2018-01-01

We reveal the microstructure and dislocation behavior in 20-pair B0.14Al0.86N/Al0.70Ga0.30N multiple-stack heterostructures (MSHs) exhibiting an increasing dislocation density along the c-axis, which is attributed to the continuous generation of dislocations (edge and mixed-type) within the individual B0.14Al0.86N layers. At the MSH interfaces, the threading dislocations were accompanied by a string of V-shape pits extending to the surface, leading to interface roughening and the formation of surface columnar features. Strain maps indicated an approximately 1.5% tensile strain and 1% compressive strain in the B0.14Al0.86N and Al0.70Ga0.30N layers, respectively. Twin structures were observed, and the MSH eventually changed from monocrystalline to polycrystalline.

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.

The key role of dislocation dissociation in the plastic behaviour of single crystal nickel-based superalloy with low stacking fault energy: Three-dimensional discrete dislocation dynamics modelling

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Li, Zhenhuan

2013-12-01

To model the deformation of single crystal nickel based superalloys (SCNBS) with low stacking fault energy (SFE), three-dimensional discrete dislocation dynamics (3D-DDD) is extended by incorporating dislocation dissociation mechanism. The present 3D-DDD simulations show that, consistent with the existing TEM observation, the leading partial can enter the matrix channel efficiently while the trailing partial can hardly glide into it when the dislocation dissociation is taken into account. To determine whether the dislocation dissociation can occur or not, a critical percolation stress (CPS) based criterion is suggested. According to this CPS criterion, for SCNBS there exists a critical matrix channel width. When the channel width is lower than this critical value, the dislocation tends to dissociate into an extended configuration and vice versa. To clarify the influence of dislocation dissociation on CPS, the classical Orowan formula is improved by incorporating the SFE. Moreover, the present 3D-DDD simulations also show that the yielding stress of SCNBSs with low SFE may be overestimated up to 30% if the dislocation dissociation is ignored. With dislocation dissociation being considered, the size effect due to the width of γ matrix channel and the length of γ‧ precipitates on the stress-strain responses of SCNBS can be enhanced remarkably. In addition, due to the strong constraint effect by the two-phase microstructure in SCNBS, the configuration of formed junctions is quite different from that in single phase crystals such as Cu. The present results not only provide clear understanding of the two-phase microstructure levelled microplastic mechanisms in SCNBSs with low SFE, but also help to develop new continuum-levelled constitutive laws for SCNBSs.

On low temperature glide of dissociated <1 1 0> dislocations in strontium titanate

NASA Astrophysics Data System (ADS)

Ritterbex, Sebastian; Hirel, Pierre; Carrez, Philippe

2018-05-01

An elastic interaction model is presented to quantify low temperature plasticity of SrTiO3 via glide of dissociated <1 1 0>{1 1 0} screw dislocations. Because <1 1 0> dislocations are dissociated, their glide, controlled by the kink-pair mechanism at T < 1050 K, involves the formation of kink-pairs on partial dislocations, either simultaneously or sequentially. Our model yields results in good quantitative agreement with the observed non-monotonic mechanical behaviour of SrTiO3. This agreement allows to explain the experimental results in terms of a (progressive) change in <1 1 0>{1 1 0} glide mechanism, from simultaneous nucleation of two kink-pairs along both partials at low stress, towards nucleation of single kink-pairs on individual partials if resolved shear stress exceeds a critical value of 95 MPa. High resolved shear stress allows thus for the activation of extra nucleation mechanisms on dissociated dislocations impossible to occur under the sole action of thermal activation. We suggest that stress condition in conjunction with core dissociation is key to the origin of non-monotonic plastic behaviour of SrTiO3 at low temperatures.

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.

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

Gibert, Ivan, E-mail: gibert1993@mail.ru; Kiseleva, Svetlana, E-mail: kisielieva1946@mail.ru; Popova, Natalya, E-mail: natalya-popova-44@mail.ru

The investigation of excess dislocation density accumulation in the deformed polycrystalline austenitic steel was carried out using transmission electron microscopy (TEM). The distributions of the excess dislocation density in the grains of the deformed austenitic steel with different bending types were obtained and plotted. It was established that in the austenitic polycrystalline steel at the deformation degrees ε = 14 and 25 % the distributions of the excess dislocation density are multimodal. In both cases the grain with compound bending is more stressed. The values of the average excess dislocation density in the grains with the compound and simple bendingmore » are less at ε = 25 % than that at ε = 14 %. This is explained by a significant relaxation of the internal stresses in steel with the increase of the deformation degree from 14 % to 25 %. The increase of the number of twinning systems and the material volume fraction covered by twinning leads to the internal stress relaxation and consequently to the increase of the excess dislocation density. The presence of microtwins in the deformed material has an influence on the distribution of the excess dislocation density. In the deformed polycrystalline austenitic steel the number of grains with compound bending is increased with the increase of the plastic deformation degree.« less

Deformed Materials: Towards a Theory of Materials Morphology Dynamics

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

Sethna, James P

This grant supported work on the response of crystals to external stress. Our primary work described how disordered structural materials break in two (statistical models of fracture in disordered materials), studied models of deformation bursts (avalanches) that mediate deformation on the microscale, and developed continuum dislocation dynamics models for plastic deformation (as when scooping ice cream bends a spoon, Fig. 9). Glass is brittle -- it breaks with almost atomically smooth fracture surfaces. Many metals are ductile -- when they break, the fracture surface is locally sheared and stretched, and it is this damage that makes them hard to break.more » Bone and seashells are made of brittle material, but they are strong because they are disordered -- lots of little cracks form as they are sheared and near the fracture surface, diluting the external force. We have studied materials like bone and seashells using simulations, mathematical tools, and statistical mechanics models from physics. In particular, we studied the extreme values of fracture strengths (how likely will a beam in a bridge break far below its design strength), and found that the traditional engineering tools could be improved greatly. We also studied fascinating crackling-noise precursors -- systems which formed microcracks of a broad range of sizes before they broke. Ductile metals under stress undergo irreversible plastic deformation -- the planes of atoms must slide across one another (through the motion of dislocations) to change the overall shape in response to the external force. Microscopically, the dislocations in crystals move in bursts of a broad range of sizes (termed 'avalanches' in the statistical mechanics community, whose motion is deemed 'crackling noise'). In this grant period, we resolved a longstanding mystery about the average shape of avalanches of fixed duration (using tools related to an emergent scale invariance), we developed the fundamental theory describing the shapes of avalanches and how they are affected by the edges of the microscope viewing window, we found that slow creep of dislocations can trigger an oscillating response explaining recent experiments, we explained avalanches under external voltage, and we have studied how avalanches in experiments on the microscale relate to deformation of large samples. Inside the crystals forming the metal, the dislocations arrange into mysterious cellular structures, usually ignored in theories of plasticity. Writing a natural continuum theory for dislocation dynamics, we found that it spontaneously formed walls -- much like models of traffic jams and sonic booms. These walls formed rather realistic cellular structures, which we examined in great detail -- our walls formed fractal structures with fascinating scaling properties, related to those found in turbulent fluids. We found, however, that the numerical and mathematical tools available to solve our equations were not flexible enough to incorporate materials-specific information, and our models did not show the dislocation avalanches seen experimentally. In the last year of this grant, we wrote an invited review article, explaining how plastic flow in metals shares features with other stressed materials, and how tools of statistical physics used in these other systems might be crucial for understanding plasticity.« less

Stair-rod dislocation cores acting as one-dimensional charge channels in GaAs nanowires

NASA Astrophysics Data System (ADS)

Bologna, Nicolas; Agrawal, Piyush; Campanini, Marco; Knödler, Moritz; Rossell, Marta D.; Erni, Rolf; Passerone, Daniele

2018-01-01

Aberration-corrected scanning transmission electron microscopy and density-functional theory calculations have been used to investigate the atomic and electronic structure of stair-rod dislocations connected via stacking faults in GaAs nanowires. At the apexes, two distinct dislocation cores consisting of single-column pairs of either gallium or arsenic were identified. Ab initio calculations reveal an overall reduction in the energy gap with the development of two bands of filled and empty localized states at the edges of valence and conduction bands in the Ga core and in the As core, respectively. Our results suggest the behavior of stair-rod dislocations along the nanowire as one-dimensional charge channels, which could host free carriers upon appropriate doping.

Quantitative prediction of solute strengthening in aluminium alloys.

PubMed

Leyson, Gerard Paul M; Curtin, William A; Hector, Louis G; Woodward, Christopher F

2010-09-01

Despite significant advances in computational materials science, a quantitative, parameter-free prediction of the mechanical properties of alloys has been difficult to achieve from first principles. Here, we present a new analytic theory that, with input from first-principles calculations, is able to predict the strengthening of aluminium by substitutional solute atoms. Solute-dislocation interaction energies in and around the dislocation core are first calculated using density functional theory and a flexible-boundary-condition method. An analytic model for the strength, or stress to move a dislocation, owing to the random field of solutes, is then presented. The theory, which has no adjustable parameters and is extendable to other metallic alloys, predicts both the energy barriers to dislocation motion and the zero-temperature flow stress, allowing for predictions of finite-temperature flow stresses. Quantitative comparisons with experimental flow stresses at temperature T=78 K are made for Al-X alloys (X=Mg, Si, Cu, Cr) and good agreement is obtained.

Origin analysis of expanded stacking faults by applying forward current to 4H-SiC p-i-n diodes

NASA Astrophysics Data System (ADS)

Hayashi, Shohei; Naijo, Takanori; Yamashita, Tamotsu; Miyazato, Masaki; Ryo, Mina; Fujisawa, Hiroyuki; Miyajima, Masaaki; Senzaki, Junji; Kato, Tomohisa; Yonezawa, Yoshiyuki; Kojima, Kazutoshi; Okumura, Hajime

2017-08-01

Stacking faults expanded by the application of forward current to 4H-SiC p-i-n diodes were observed using a transmission electron microscope to investigate the expansion origin. It was experimentally confirmed that long-zonal-shaped stacking faults expanded from basal-plane dislocations converted into threading edge dislocations. In addition, stacking fault expansion clearly penetrated into the substrate to a greater depth than the dislocation conversion point. This downward expansion of stacking faults strongly depends on the degree of high-density minority carrier injection.

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.

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

DOE PAGES

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

2015-09-14

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

Re-examination of the Present Stress State of the Atera Fault, Central Japan, Based on the Calibrated Crustal Stress Data of Hydraulic Fracturing Test by Measuring the Tensile Strength of Rocks

NASA Astrophysics Data System (ADS)

Yamashita, F.; Mizoguchi, K.; Fukuyama, E.; Omura, K.

2008-12-01

To infer the activity and physical state of intraplate faults in Japan, we re-examined the crustal stress with the hydraulic fracturing test by measuring the tensile strength of rocks. The tensile strength was measured by fracturing hollow cylindrical rock samples (inner and outer radius are 25.0-25.2 mm and 55.1-101.5 mm, respectively, length is 137.0-140.1 mm) which were obtained close to the in situ stress measurement locations by pressurizing the inner hole of the sample. Confining pressure is not applied to the samples in this test. To check the reliability and accuracy of this test, we conducted similar experiments with the standard rock sample (Inada granite) whose physical property is well known. Then, we measured the tensile strength of all available core samples including the Atera fault (at Ueno, Fukuoka, and Hatajiri), the Atotsugawa fault, and the Nojima fault (at Hirabayashi, Iwaya and Kabutoyama), in central Japan, which had been obtained by the National Research Institute for Earth Science and Disaster Prevention (NIED) by the stress measurement with the hydraulic fracturing method. The measured tensile strength data reveals that the in situ re- opening pressure, which is one of the parameters needed for the determination of the maximum in situ horizontal stress, was obviously biased. We re-estimated the re-opening pressure using the measured tensile strength and the in situ breakdown pressure, and re-calculated the in situ stress around the Atera fault. Although the past dislocation of the Atera fault has been considered to be left lateral from the geographical features around the fault, the re-estimated stress suggests that the present dislocation of the Atera fault is right lateral. And the shear stress decreases from the fault. The right lateral dislocation is also supported by the present-day horizontal crustal deformation observed by the triangular and GPS surveys by Geographical Survey Institute in Japan. Therefore, the dislocation direction of the Atera fault seems to change from left lateral to right lateral some time ago. The amount of accumulated right lateral dislocation estimated from the stress data with the dislocation model by Okada (1992) is 2.2-2.6 m. Because the current slip rate from the GPS survey is 2.1-2.3 mm/yr, the accumulation period of the dislocation becomes 960-1240 years if the slip rate is stable. This estimation suggests that during the last 1586 Tensho earthquake the Atera fault dislocated right laterally.

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

Revisiting the Al/Al₂O₃ interface: coherent interfaces and misfit accommodation.

PubMed

Pilania, Ghanshyam; Thijsse, Barend J; Hoagland, Richard G; Lazić, Ivan; Valone, Steven M; Liu, Xiang-Yang

2014-03-27

We study the coherent and semi-coherent Al/α-Al2O3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions at the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. Our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al2O3 composite heterostructures.

Multiscale Modeling of Inclusions and Precipitation Hardening in Metal Matrix Composites: Application to Advanced High-Strength Steels

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

Askari, Hesam; Zbib, Hussein M.; Sun, Xin

In this study, the strengthening effect of inclusions and precipitates in metals is investigated within a multiscale approach that utilizes models at various length scales, namely, Molecular Mechanics (MM), discrete Dislocation Dynamics (DD), and an Eigenstrain Inclusion Method (EIM). Particularly, precipitates are modeled as hardsoft particles whose stress fields interact with dislocations. The stress field resulting from the elastic mismatch between the particles and the matrix is accounted for through the EIM. While the MM method is employed for the purpose of developing rules for DD for short range interaction between a single dislocation and an inclusion, the DD methodmore » is used to predict the strength of the composite resulting from the interaction between ensembles of dislocations and particles. As an application to this method, the mechanical behavior of Advanced High Strength Steel (AHSS) is investigated and the results are then compared to the experimental data. The results show that the finely dispersive precipitates can strengthen the material by pinning the dislocations up to a certain shear stress and retarding the recovery, as well as annihilation of dislocations. The DD results show that strengthening due to nano sized particles is a function of the density and size of the precipitates. This size effect is then explained using a mechanistic model developed based on dislocation-particle interaction.« less

Superclimbing dislocation with a Coulomb-type interaction between jogs

NASA Astrophysics Data System (ADS)

Liu, Longxiang; Kuklov, Anatoly B.

2018-03-01

The main candidate for the superfluid pathways in solid 4He are dislocations with Burgers vector along the hcp symmetry axis. Here we focus on the quantum behavior of a generic edge dislocation which can perform superclimb; that is, it can climb due to the superflow along its core. The role of the long-range elastic interactions between jogs is addressed by Monte Carlo simulations. It is found that such interactions do not change qualitatively the phase diagram found without accounting for the long-range forces. Their main effect consists of renormalizing the effective scale determining the compressibility of the dislocation in the Tomonaga-Luttinger liquid phase. It is also found that the quantum rough phase of the dislocation can be well described within the Gaussian approximation which features off-diagonal long-range order (ODLRO) in one dimension for the superfluid order parameter along the core.

X-ray microbeam three-dimensional topography for dislocation strain-field analysis of 4H-SiC

NASA Astrophysics Data System (ADS)

Tanuma, R.; Mori, D.; Kamata, I.; Tsuchida, H.

2013-07-01

This paper describes the strain-field analysis of threading edge dislocations (TEDs) and basal-plane dislocations (BPDs) in 4H-SiC using x-ray microbeam three-dimensional (3D) topography. This 3D topography enables quantitative strain-field analysis, which measures images of effective misorientations (Δω maps) around the dislocations. A deformation-matrix-based simulation algorithm is developed to theoretically evaluate the Δω mapping. Systematic linear calculations can provide simulated Δω maps (Δωsim maps) of dislocations with different Burgers vectors, directions, and reflection vectors for the desired cross-sections. For TEDs and BPDs, Δω maps are compared with Δωsim maps, and their excellent correlation is demonstrated. Two types of asymmetric reflections, high- and low-angle incidence types, are compared. Strain analyses are also conducted to investigate BPD-TED conversion near an epilayer/substrate interface in 4H-SiC.

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

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.

Size effects of nano-spaced basal stacking faults on the strength and deformation mechanisms of nanocrystalline pure hcp metals

NASA Astrophysics Data System (ADS)

Wang, Wen; Jiang, Ping; Yuan, Fuping; Wu, Xiaolei

2018-05-01

The size effects of nano-spaced basal stacking faults (SFs) on the tensile strength and deformation mechanisms of nanocrystalline pure cobalt and magnesium have been investigated by a series of large-scale 2D columnar and 3D molecular dynamics simulations. Unlike the strengthening effect of basal SFs on Mg alloys, the nano-spaced basal SFs are observed to have no strengthening effect on the nanocrystalline pure cobalt and magnesium from MD simulations. These observations could be attributed to the following two reasons: (i) Lots of new basal SFs are formed before (for cobalt) or simultaneously with (for magnesium) the other deformation mechanisms (i.e. the formation of twins and the < c + a > edge dislocations) during the tensile deformation; (ii) In hcp alloys, the segregation of alloy elements and impurities at typical interfaces, such as SFs, can stablilise them for enhancing the interactions with dislocation and thus elevating the strength. Without such segregation in pure hcp metals, the < c + a > edge dislocations can cut through the basal SFs although the interactions between the < c + a > dislocations and the pre-existing SFs/newly formed SFs are observed. The nano-spaced basal SFs are also found to have no restriction effect on the formation of deformation twins.

The Dependence of Portevin-Le Châtelier Effect on the γ' Precipitates in a Wrought Ni-Base Superalloy

NASA Astrophysics Data System (ADS)

Wang, Xinguang; Han, Guoming; Cui, Chuanyong; Guan, Shuai; Jin, Tao; Sun, Xiaofeng; Hu, Zhuangqi

2016-12-01

The dependence of Portevin-Le Châtelier (PLC) effect on the γ' precipitates of the Nimonic 263 alloy in different microstructural conditions has been studied by analyzing the parameters of the tensile curves and the deformation mechanisms. It is shown that the γ' precipitates with different sizes, edge-to-edge interprecipitate distance, and areal number density are obtained by altering the aging time. It is demonstrated that when the mean size of the γ' precipitates is less than 28 nm (aging less than 25 hours), the deformation mechanisms are dominated by APB-coupled a/2<101> dislocations shearing the small γ' precipitates and the slip bands continuously cutting the γ and γ' phases. When the γ' size is between 28 and 45 nm (aging time between 25 and 50 hours), the deformation mechanism is controlled by the APB-coupled a/2<101> dislocations shearing the small γ' precipitates, the a/6<112> Shockley partial dislocation continuously shearing the γ and γ' phases combined with matrix dislocations by-passing the γ' precipitates; If the γ' size over 45 nm (aging time more than 50 hours), Orowan by-passing becomes the main deformation mechanism. Moreover, with increasing the aging time, the critical plastic strain for the onset of the PLC effect increases and reaches a maximum after aging for 50 hours, and then gradually decreases. At last, the dependence of critical plastic strain on the deformation mechanisms is well explained by the elementary incremental strain (γ). The precipitation process of the γ' phase can directly influence the PLC effect by changing the interactions among solutes atoms, mobile dislocations, and forest dislocations.

The Effects of Prior Cold Work on the Shock Response of Copper

NASA Astrophysics Data System (ADS)

Millett, J. C. F.; Higgins, D. L.; Chapman, D. J.; Whiteman, G.; Jones, I. P.; Chiu, Y.-L.

2018-04-01

A series of experiments have been performed to probe the effects of dislocation density on the shock response of copper. The shear strength immediately behind the shock front has been measured using embedded manganin stress gauges, whilst the post shock microstructural and mechanical response has been monitored via one-dimensional recovery experiments. Material in the half hard (high dislocation density) condition was shown to have both a higher shear strength and higher rate of change of shear strength with impact stress than its annealed (low dislocation density) counterpart. Microstructural analysis showed a much higher dislocation density in the half hard material compared to the annealed after shock loading, whilst post shock mechanical examination showed a significant degree of hardening in the annealed state with reduced, but still significant amount in the half hard state, thus showing a correlation between temporally resolved stress gauge measurements and post shock microstructural and mechanical properties.

Transition of dislocation glide to shear transformation in shocked tantalum

DOE PAGES

Hsiung, Luke L.; Campbell, Geoffrey H.

2017-02-28

A TEM study of pure tantalum and tantalum-tungsten alloys explosively shocked at a peak pressure of 30 GPa (strain rate: ~1 x 10 4 sec -1) is presented. While no ω (hexagonal) phase was found in shock-recovered pure Ta and Ta-5W that contain mainly a low-energy cellular dislocation structure, shock-induced ω phase was found to form in Ta-10W that contains evenly distributed dislocations with a stored dislocation density higher than 1 x 10 12 cm -2. The TEM results clearly reveal that shock-induced α (bcc) → ω (hexagonal) shear transformation occurs when dynamic recovery reactions which lead the formation low-energymore » cellular dislocation structure become largely suppressed in Ta-10W shocked under dynamic (i.e., high strain-rate and high-pressure) conditions. A novel dislocation-based mechanism is proposed to rationalize the transition of dislocation glide to twinning and/or shear transformation in shock-deformed tantalum. Lastly, twinning and/or shear transformation take place as an alternative deformation mechanism to accommodate high-strain-rate straining when the shear stress required for dislocation multiplication exceeds the threshold shear stresses for twinning and/or shear transformation.« less

Size effects under homogeneous deformation of single crystals: A discrete dislocation analysis

NASA Astrophysics Data System (ADS)

Guruprasad, P. J.; Benzerga, A. A.

Mechanism-based discrete dislocation plasticity is used to investigate the effect of size on micron scale crystal plasticity under conditions of macroscopically homogeneous deformation. Long-range interactions among dislocations are naturally incorporated through elasticity. Constitutive rules are used which account for key short-range dislocation interactions. These include junction formation and dynamic source and obstacle creation. Two-dimensional calculations are carried out which can handle high dislocation densities and large strains up to 0.1. The focus is laid on the effect of dimensional constraints on plastic flow and hardening processes. Specimen dimensions ranging from hundreds of nanometers to tens of microns are considered. Our findings show a strong size-dependence of flow strength and work-hardening rate at the micron scale. Taylor-like hardening is shown to be insufficient as a rationale for the flow stress scaling with specimen dimensions. The predicted size effect is associated with the emergence, at sufficient resolution, of a signed dislocation density. Heuristic correlations between macroscopic flow stress and macroscopic measures of dislocation density are sought. Most accurate among those is a correlation based on two state variables: the total dislocation density and an effective, scale-dependent measure of signed density.

Thermal activation of dislocations in large scale obstacle bypass

NASA Astrophysics Data System (ADS)

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; Martinez, Enrique

2017-08-01

Dislocation dynamics simulations have been used extensively to predict hardening caused by dislocation-obstacle interactions, including irradiation defect hardening in the athermal case. Incorporating the role of thermal energy on these interactions is possible with a framework provided by harmonic transition state theory (HTST) enabling direct access to thermally activated reaction rates using the Arrhenius equation, including rates of dislocation-obstacle bypass processes. Moving beyond unit dislocation-defect reactions to a representative environment containing a large number of defects requires coarse-graining the activation energy barriers of a population of obstacles into an effective energy barrier that accurately represents the large scale collective process. The work presented here investigates the relationship between unit dislocation-defect bypass processes and the distribution of activation energy barriers calculated for ensemble bypass processes. A significant difference between these cases is observed, which is attributed to the inherent cooperative nature of dislocation bypass processes. In addition to the dislocation-defect interaction, the morphology of the dislocation segments pinned to the defects play an important role on the activation energies for bypass. A phenomenological model for activation energy stress dependence is shown to describe well the effect of a distribution of activation energies, and a probabilistic activation energy model incorporating the stress distribution in a material is presented.

Effect of strain rate and dislocation density on the twinning behavior in Tantalum

DOE PAGES

Florando, Jeffrey N.; El-Dasher, Bassem S.; Chen, Changqiang; ...

2016-04-28

The conditions which affect twinning in tantalum have been investigated across a range of strain rates and initial dislocation densities. Tantalum samples were subjected to a range of strain rates, from 10 –4/s to 10 3/s under uniaxial stress conditions, and under laser-induced shock-loading conditions. In this study, twinning was observed at 77K at strain rates from 1/s to 103/s, and during laser-induced shock experiments. The effect of the initial dislocation density, which was imparted by deforming the material to different amounts of pre-strain, was also studied, and it was shown that twinning is suppressed after a given amount ofmore » pre-strain, even as the global stress continues to increase. These results indicate that the conditions for twinning cannot be represented solely by a critical global stress value, but are also dependent on the evolution of the dislocation density. Additionally, the analysis shows that if twinning is initiated, the nucleated twins may continue to grow as a function of strain, even as the dislocation density continues to increase.« less

Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

NASA Astrophysics Data System (ADS)

Li, Nan-Lin; Wu, Wen-Ping; Nie, Kai

2018-05-01

The evolution of misfit dislocation network at γ /γ‧ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the γ‧ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension-compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.

Dislocation dynamics and crystal plasticity in the phase-field crystal model

NASA Astrophysics Data System (ADS)

Skaugen, Audun; Angheluta, Luiza; Viñals, Jorge

2018-02-01

A phase-field model of a crystalline material is introduced to develop the necessary theoretical framework to study plastic flow due to dislocation motion. We first obtain the elastic stress from the phase-field crystal free energy under weak distortion and show that it obeys the stress-strain relation of linear elasticity. We focus next on dislocations in a two-dimensional hexagonal lattice. They are composite topological defects in the weakly nonlinear amplitude equation expansion of the phase field, with topological charges given by the standard Burgers vector. This allows us to introduce a formal relation between the dislocation velocity and the evolution of the slowly varying amplitudes of the phase field. Standard dissipative dynamics of the phase-field crystal model is shown to determine the velocity of the dislocations. When the amplitude expansion is valid and under additional simplifications, we find that the dislocation velocity is determined by the Peach-Koehler force. As an application, we compute the defect velocity for a dislocation dipole in two setups, pure glide and pure climb, and compare it with the analytical predictions.

Crack Tip Dislocation Nucleation in FCC Solids

NASA Astrophysics Data System (ADS)

Knap, J.; Sieradzki, K.

1999-02-01

We present results of molecular dynamic simulations aimed at examining crack tip dislocation emission in fcc solids. The results are analyzed in terms of recent continuum formulations of this problem. In mode II, Au, Pd, and Pt displayed a new unanticipated mechanism of crack tip dislocation emission involving the creation of a pair of Shockley partials on a slip plane one plane below the crack plane. In mode I, for all the materials examined, Rice's continuum formulation [J. Mech. Phys. Solids 40, 239 (1992)] underestimated the stress intensity for dislocation emission by almost a factor of 2. Surface stress corrections to the emission criterion brought the agreement between continuum predictions and simulations to within 20%.

Study on Dynamic Strain Aging and Low-Cycle Fatigue of Stainless Steel in Ultra-Supercritical Unit

NASA Astrophysics Data System (ADS)

Hongwei, Zhou; Yizhu, He; Jizu, Lv; Sixian, Rao

Dynamic strain aging (DSA) and low-cycle fatigue (LCF) behavior of TP347H stainless steel in ultra-supercritical unit were investigated at 550-650 °C. All the LCF tests were carried out under a fully-reversed, total axial strain control mode at the total strain amplitude from ±0.2% to ±1.0%. The effects of DSA in cyclic stress response, microstructure evolution and fatigue fracture surfaces and fatigue life were investigated in detail. The results show that DSA occurs during tensile, which is manifested as serrated flow in tensile stress-strain curves. The apparent activation energy for appearing of serrations in tensile stress-strain curves was 270 kJ/mol. Pipe diffusion of substitutional solutes such as Cr and Nb along the dislocation core, and strong interactions between segregated solutes and dislocations are considered as the mechanism of DSA. DSA partly restricts dislocation cross-slip, and dislocation cross-slip and planar-slip happen simultaneously during LCF. A lot of planar structures form, which is due to dislocation gliding on the special plane. This localized deformation structures result in many crack initiation sites. Meanwhile, DSA hardening increases cyclic stress response, accelerating crack propagation, which reduces high temperature strain fatigue life of steel.

Strengthening via deformation twinning in a nickel alloy

DOE PAGES

Shaw, Leon L.; Villegas, Juan; Huang, Jian-Yu; ...

2007-07-01

In this study, nanograins and nanotwins are produced in specimens using one processing technique to allow direct comparison in their nanohardnesses. It is shown that the hardness of nanotwins can be close to the lower end of the hardness of nanograins. The resistance of nanotwins to dislocation movement is explained based on elastic interactions between the incident 60° dislocation and the product dislocations. The latter includes one Shockley partial at the twin boundary and one 60° dislocation in the twinned region. The analysis indicates that a resolved shear stress of at least 1.24 GPa is required for a 60° dislocationmore » to pass across a twin boundary in the nickel alloy investigated. It is this high level of the required shear stress coupled with a limited number of dislocations that can be present between two adjacent twin boundaries that provides nanotwins with high resistance to dislocation movement. The model proposed is corroborated by the detailed analysis of high-resolution transmission electron microscopy.« less

Elastic strain relaxation in interfacial dislocation patterns: I. A parametric energy-based framework

NASA Astrophysics Data System (ADS)

Vattré, A.

2017-08-01

A parametric energy-based framework is developed to describe the elastic strain relaxation of interface dislocations. By means of the Stroh sextic formalism with a Fourier series technique, the proposed approach couples the classical anisotropic elasticity theory with surface/interface stress and elasticity properties in heterogeneous interface-dominated materials. For any semicoherent interface of interest, the strain energy landscape is computed using the persistent elastic fields produced by infinitely periodic hexagonal-shaped dislocation configurations with planar three-fold nodes. A finite element based procedure combined with the conjugate gradient and nudged elastic band methods is applied to determine the minimum-energy paths for which the pre-computed energy landscapes yield to elastically favorable dislocation reactions. Several applications on the Au/Cu heterosystems are given. The simple and limiting case of a single set of infinitely periodic dislocations is introduced to determine exact closed-form expressions for stresses. The second limiting case of the pure (010) Au/Cu heterophase interfaces containing two crossing sets of straight dislocations investigates the effects due to the non-classical boundary conditions on the stress distributions, including separate and appropriate constitutive relations at semicoherent interfaces and free surfaces. Using the quantized Frank-Bilby equation, it is shown that the elastic strain landscape exhibits intrinsic dislocation configurations for which the junction formation is energetically unfavorable. On the other hand, the mismatched (111) Au/Cu system gives rise to the existence of a minimum-energy path where the fully strain-relaxed equilibrium and non-regular intrinsic hexagonal-shaped dislocation rearrangement is accompanied by a significant removal of the short-range elastic energy.

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.

Creep of oxide dispersion strengthened materials /with special reference to T-D nichrome/

NASA Technical Reports Server (NTRS)

Lin, J.; Sherby, O. D.

1981-01-01

Analyses of oxide dispersion strengthened (ODS) alloys shows that their characteristics are mainly due to the creep behavior of the matrix material. Diffusion-controlled slip creep is established as the rate-controlling process in the alloys investigated, with the glide and climb of edge dislocations associated with the subgrain structure as barriers being the specific rate-controlling step. It is found that the stable subgrain size in ODS alloys is usually associated with the spacing between particles 500-1000 A in size, and that their creep behavior is distinguished from that of the matrix material by the existence of a threshold stress that is not well defined microscopically but appears to be related to particles of less than 500 A size.

Nanocrystalline copper films are never flat

NASA Astrophysics Data System (ADS)

Zhang, Xiaopu; Han, Jian; Plombon, John J.; Sutton, Adrian P.; Srolovitz, David J.; Boland, John J.

2017-07-01

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy.

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

Kang, Guozheng, E-mail: guozhengkang@home.swjtu.edu.cn; Dong, Yawei; Liu, Yujie

The uniaxial ratchetting of Ti–6Al–4V alloy with two phases (i.e., primary hexagonal close packed (HCP) α and secondary body-centered cubic (BCC) β phases) was investigated by macroscopic and microscopic experiments at room temperature. Firstly, the effects of cyclic softening/hardening feature, applied mean stress and stress amplitude on the uniaxial ratchetting of the alloy were discussed. The macroscopic investigation of Ti–6Al–4V alloy presents obvious strain-amplitude-dependent cyclic softening, as well as a three-staged evolution curve with regard to the ratchetting strain rate. The ratchetting depends greatly on the applied mean stress and stress amplitude while the ratchetting strain increases with the increasingmore » applied mean stress and stress amplitude. Then, the evolution of dislocation patterns and deformation twinning during the uniaxial ratchetting of two-phase Ti–6Al–4V alloy were observed using transmission electron microscopy (TEM). The microscopic observation shows that deformation twinning occurs in the primary α phase and its amount increases gradually during the uniaxial ratchetting. Simultaneously, the planar dislocation evolves from discrete lines to some dislocation nets and parallel lines with the increasing number of cycles. The deformation twinning in the primary α phase is one of main contributions to the uniaxial ratchetting of Ti–6Al–4V alloy, and should be considered in the construction of corresponding constitutive model. - Highlights: • A three-staged ratchetting occurs in the stress-controlled cyclic tests of Ti–6Al–4V alloy. • Dislocation patterns change from discrete lines to nets and parallel lines. • Deformation twinning occurs during the uniaxial ratchetting. • Both dislocation slipping and twinning are the causes of ratchetting.« less

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 ”.

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

Gao, Ning; Shen, Tielong; Kurtz, Richard

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

Processing of energy materials in electromagnetic field

NASA Astrophysics Data System (ADS)

Rodzevich, A. P.; Kuzmina, L. V.; Gazenaur, E. G.; Krasheninin, V. I.

2015-09-01

This paper presents the research results of complex impact of mechanical stress and electromagnetic field on the defect structure of energy materials. As the object of research quite a typical energy material - silver azide was chosen, being a model in chemistry of solids. According to the experiments co-effect of magnetic field and mechanical stress in silver azide crystals furthers multiplication, stopper breakaway, shift of dislocations, and generation of superlattice dislocations - micro-cracks. A method of mechanical and electric strengthening has been developed and involves changing the density of dislocations in whiskers.

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.

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.

Use of the chop hook to stabilize the capsular bag in patients with crystalline lens dislocations and cataracts.

PubMed

Zeng, Yanfeng; Fan, Licheng; Lu, Peirong

2017-04-01

Objective To observe the treatment effects of chop hook-assisted phacoemulsification surgery in patients with crystalline lens dislocation. Methods Thirty-seven eyes with cataracts and crystalline lens dislocations underwent cataract surgery. An L-shaped chop hook was introduced into the anterior chamber, and the tip was pushed or pulled to the centre of the anterior capsular edge of the zonular dialysis during the cataract operation. Postoperative follow-up was conducted for ≥ 1 month. Results All patients' postoperative visual abilities improved except one patient with glaucoma. One patient who underwent -5D intraocular lens implantation exhibited vision of 1/50. Visual acuity was less than 6/20 in 6 eyes, 6/20 to 10/20 in 7 eyes, and greater than 10/20 in 22 eyes. Conclusions L-shaped chop hooks can be used to push or pull the anterior capsular edge of the zonular dialysis for protection and avoidance of further zonular damage. This strategy provides satisfactory effects and reduces use of additional instruments.

HR-EBSD as a new tool for quantifying geometrically necessary dislocations in quartz: Application to chessboard subgrain boundaries

NASA Astrophysics Data System (ADS)

Wallis, D.; Parsons, A. J.; Hansen, L. N.

2017-12-01

Chessboard subgrains in quartz, with boundaries composed of {m}[c] edge dislocations, are widely used as evidence for high-temperature deformation and have been suggested to form only in β-quartz. However, the origins and dislocation structure of chessboard subgrains remain poorly constrained and, without precise constraints on axes of misorientations across subgrain boundaries, other subgrain types formed at lower temperatures can be misidentified as chessboard subgrains. The technique most commonly employed to investigate subgrain structures, electron backscatter diffraction, can only resolve misorientation angles and axes for a portion of the substructure. This limitation hinders detailed interpretation of the dislocation types, densities, and processes that generate characteristic subgrain structures. We overcome these limitations by employing high-angular resolution electron backscatter diffraction (HR-EBSD), which employs cross-correlation of diffraction patterns to achieve angular resolution on the order of 0.01° with well-constrained misorientation axes. We analyse chessboard subgrains in samples from the Greater Himalayan Sequence, Nepal, which were deformed along well constrained pressure-temperature paths confined to the stability field of α-quartz. HR-EBSD analysis demonstrates that the subgrain boundaries consist of two sets. One set consists primarily of {m}[c] edge dislocations and the other consists of dislocations primarily with Burgers vectors. Apparent densities of geometrically necessary dislocations vary from > 1013 m-2 within some subgrain boundaries to < 1012 m-2 within subgrain interiors. This analysis provides new insight into the structure of chessboard subgrain boundaries, and a new tool to distinguish them from superficially similar deformation microstructures formed by other dislocation types at lower temperatures. Application of HR-EBSD to quartz from the Greater Himalayan Sequence confirms the activity of {m}[c] slip in the α-quartz stability field and demonstrates that formation of chessboard subgrains is not restricted to the stability field of β-quartz. Most importantly, this study demonstrates the potential of HR-EBSD as an improved method for analysis of quartz microstructures used as indicators of deformation conditions.

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.

Detection of plasticity mechanisms in an energetic molecular crystal through shock-like 3D unidirectional compressions: A Molecular Dynamics study

NASA Astrophysics Data System (ADS)

Lafourcade, Paul; Denoual, Christophe; Maillet, Jean-Bernard

2017-06-01

TATB crystal structure consists in graphitic-like sheets arranged in the a-b plane where a, b and c define the edge vectors of the unit cell. This type of stacking provides the TATB monocrystal very anisotropic physical, chemical and mechanical properties. In order to explore which mechanisms are involved in TATB plasticity, we use a Molecular Dynamics code in which the overall deformation is prescribed as a function of time, for any deformation path. Furthermore, a computation of the Green-Lagrange strain tensor is proposed, which helps reveal various defects and plasticity mechanisms. Through prescribed large strain of shock-like deformations, a three-dimensional characterization of TATB monocrystal yield stress has been obtained, confirming the very anisotropic behavior of this energetic material. Various plasticity mechanisms are triggered during these simulations, including counter intuitive defects onset such as gliding along transveral planes containing perfect dislocations and twinning. Gliding in the a-b plane occurs systematically and does not lead to significant plastic behavior, in accordance with a previous study on dislocation core structures for this plane, based on a coupling between the Peierls-Nabarro-Galerkin method and Molecular Dynamics simulations.

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

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

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Revisiting the Al/Al 2O 3 Interface: Coherent Interfaces and Misfit Accommodation

DOE PAGES

Pilania, Ghanshyam; Thijsse, Barend J.; Hoagland, Richard G.; ...

2014-03-27

We report the coherent and semi-coherent Al/α-Al 2O 3 interfaces using molecular dynamics simulations with a mixed, metallic-ionic atomistic model. For the coherent interfaces, both Al-terminated and O-terminated nonstoichiometric interfaces have been studied and their relative stability has been established. To understand the misfit accommodation at the semi-coherent interface, a 1-dimensional (1D) misfit dislocation model and a 2-dimensional (2D) dislocation network model have been studied. For the latter case, our analysis reveals an interface dislocation structure with a network of three sets of parallel dislocations, each with pure-edge character, giving rise to a pattern of coherent and stacking-fault-like regions atmore » the interface. Structural relaxation at elevated temperatures leads to a further change of the dislocation pattern, which can be understood in terms of a competition between the stacking fault energy and the dislocation interaction energy at the interface. In conclusion, our results are expected to serve as an input for the subsequent dislocation dynamics models to understand and predict the macroscopic mechanical behavior of Al/α-Al 2O 3 composite heterostructures.« less

Full characterization of dislocations in ion-irradiated polycrystalline UO2

NASA Astrophysics Data System (ADS)

Onofri, C.; Legros, M.; Léchelle, J.; Palancher, H.; Baumier, C.; Bachelet, C.; Sabathier, C.

2017-10-01

In order to fully characterize the dislocation loops and lines features (Burgers vectors, habit/slip planes, interstitial or vacancy type) induced by irradiation in UO2, polycrystalline thin foils were irradiated with 4 MeV Au or 390 keV Xe ions at different temperatures (25, 600 and 800 °C) and fluences (0.5 and 1 × 1015 ions/cm2), and further analyzed using TEM. In all the cases, this study, performed on a large number of dislocation loops (diameter ranging from 10 to 80 nm) and for the first time on several dislocation lines, reveals unfaulted prismatic dislocation loops with an interstitial nature and Burgers vectors only along the <110>-type directions. Almost 60% of the studied loops are purely prismatic type and lie on {110} habit planes perpendicular to the Burgers vector directions. The others lie on the {110} or {111} planes, which are neither perpendicular to the Burgers vectors, nor contain them. About 87% of the dislocation lines, formed by loop overlapping as fluence increases, are edge or mixed type in the <100>{100} slip systems, as those induced under mechanical load.

Effect of strain rate and dislocation density on the twinning behavior in tantalum

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

Florando, Jeffrey N., E-mail: florando1@llnl.gov; Swift, Damian C.; Barton, Nathan R.

2016-04-15

The conditions which affect twinning in tantalum have been investigated across a range of strain rates and initial dislocation densities. Tantalum samples were subjected to a range of strain rates, from 10{sup −4}/s to 10{sup 3}/s under uniaxial stress conditions, and under laser-induced shock-loading conditions. In this study, twinning was observed at 77 K at strain rates from 1/s to 10{sup 3}/s, and during laser-induced shock experiments. The effect of the initial dislocation density, which was imparted by deforming the material to different amounts of pre-strain, was also studied, and it was shown that twinning is suppressed after a givenmore » amount of pre-strain, even as the global stress continues to increase. These results indicate that the conditions for twinning cannot be represented solely by a critical global stress value, but are also dependent on the evolution of the dislocation density. In addition, the analysis shows that if twinning is initiated, the nucleated twins may continue to grow as a function of strain, even as the dislocation density continues to increase.« less

Lubrication of dislocation glide in MgO by hydrous defects

NASA Astrophysics Data System (ADS)

Skelton, Richard; Walker, Andrew M.

2018-02-01

Water-related defects, principally in the form of protonated cation vacancies, are potentially able to weaken minerals under high-stress or low-temperature conditions by reducing the Peierls stress required to initiate dislocation glide. In this study, we use the Peierls-Nabarro (PN) model to determine the effect of protonated Mg vacancies on the 1/2<110>{110} and 1/2<110>{100} slip systems in MgO. This PN model is parameterized using generalized stacking fault energies calculated using plane-wave density functional theory, with and without protonated Mg vacancies present at the glide plane. It found that these defects increase dislocation core widths and reduce the Peierls stress over the entire pressure range 0-125 GPa. Furthermore, 1/2<110>{110} slip is found to be more sensitive to the presence of protonated vacancies which increases in the pressure at which {100} becomes the easy glide plane for 1/2<110> screw dislocations. These results demonstrate, for a simple mineral system, that water-related defects can alter the deformation behavior of minerals in the glide-creep regime by reducing the stress required to move dislocations by glide. (Mg, Fe)O is the most anisotropic mineral in the Earth's lower mantle, so the differential sensitivity of the major slip systems in MgO to hydrous defects has potential implications for the interpretation of the seismic anisotropy in this region.

Solute atmospheres at dislocations

DOE PAGES

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

2017-06-01

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

Solute atmospheres at dislocations

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

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

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

The coupling technique: A two-wave acoustic method for the study of dislocation dynamics

NASA Astrophysics Data System (ADS)

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

1987-03-01

Progress in the study of dislocation dynamics has been achieved using a two-wave acoustic method, which has been called the coupling technique. In this method, the attenuation α and the velocity v of ultrasonic waves are measured in a sample submitted simultaneously to a harmonic stress σ of low frequency. Closed curves Δα(σ) and Δv/v(σ) are drawn during each cycle of the applied stress. The shapes of these curves and their evolution are characteristic of each dislocation motion mechanism which is activated by the low-frequency applied stress. For this reason, the closed curves Δα(σ) and Δv/v(σ) can be considered as signatures of the interaction mechanism which controls the low-frequency dislocation motion. In this paper, the concept of signature is presented and explained with some experimental examples. It will also be shown that theoretical models can be developed which explain very well the experimental results.

Dislocation Reduction and Stress Relaxation of GaN and InGaN Multiple Quantum Wells with Improved Performance via Serpentine Channel Patterned Mask.

PubMed

Ji, Qingbin; Li, Lei; Zhang, Wei; Wang, Jia; Liu, Peichi; Xie, Yahong; Yan, Tongxing; Yang, Wei; Chen, Weihua; Hu, Xiaodong

2016-08-24

The existence of high threading dislocation density (TDD) in GaN-based epilayers is a long unsolved problem, which hinders further applications of defect-sensitive GaN-based devices. Multiple-modulation of epitaxial lateral overgrowth (ELOG) is used to achieve high-quality GaN template on a novel serpentine channel patterned sapphire substrate (SCPSS). The dislocation blocking brought by the serpentine channel patterned mask, coupled with repeated dislocation bending, can reduce the dislocation density to a yet-to-be-optimized level of ∼2 × 10(5) to 2 × 10(6) cm(-2). About 80% area utilization rate of GaN with low TDD and stress relaxation is obtained. The periodical variations of dislocation density, optical properties and residual stress in GaN-based epilayers on SCPSS are analyzed. The quantum efficiency of InGaN/GaN multiple quantum wells (MQWs) on it can be increased by 52% compared with the conventional sapphire substrate. The reduced nonradiative recombination centers, the enhanced carrier localization, and the suppressed quantum confined Stark effect, are the main determinants of improved luminous performance in MQWs on SCPSS. This developed ELOG on serpentine shaped mask needs no interruption and regrowth, which can be a promising candidate for the heteroepitaxy of semipolar/nonpolar GaN and GaAs with high quality.

Indentation Schmid factor and orientation dependence of nanoindentation pop-in behavior of NiAl single crystals

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

Li, Tianlei; Gao, Yanfei; Bei, Hongbin

2011-01-01

Instrumented nanoindentation techniques have been widely used to characterize the small-scale mechanical behavior of materials. The elastic-plastic transition during nanoindentation is often indicated by a sudden displacement burst (pop-in) in the measured load-displacement curve. In defect-free single crystals, the pop-in is believed to be the result of homogeneous dislocation nucleation because the maximum shear stress corresponding to the pop-in load approaches the theoretical strength of the materials and because the statistical distribution of pop-in stresses is consistent with what is expected for a thermally activated process of homogeneous dislocation nucleation. This paper investigates whether this process is affected by crystallographymore » and stress components other than the resolved shear stress. A Stroh formalism coupled with the two-dimensional Fourier transformation is used to derive the analytical stress fields in elastically anisotropic solids under Hertzian contact, which allows the determination of an indentation Schmid factor, namely, the ratio of maximum resolved shear stress to the maximum contact pressure. Nanoindentation tests were conducted on B2-structured NiAl single crystals with different surface normal directions. This material was chosen because it deforms at room temperature by {110}<001> slip and thus avoids the complexity of partial dislocation nucleation. Good agreement is obtained between the experimental data and the theoretically predicted orientation dependence of pop-in loads based on the indentation Schmid factor. Pop-in load is lowest for indentation directions close to <111> and highest for those close to <001>. In nanoindentation, since the stress component normal to the slip plane is typically comparable in magnitude to the resolved shear stress, we find that the pressure sensitivity of homogeneous dislocation nucleation cannot be determined from pop-in tests. Our statistical measurements generally confirm the thermal activation model of homogeneous dislocation nucleation. That is, the extracted dependence of activation energy on resolved shear stress is almost the same for all the indentation directions considered in this study, except for those close to <001>. Because very high pop-in loads are measured for orientations close to <001>, which implies a large contact area at pop-in, there is a higher probability of activating pre-existing dislocations in these orientations, which may explain the discrepancy near <001>.« less

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

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Evaluating the influence of stress on the dislocation creep flow law for quartz

NASA Astrophysics Data System (ADS)

Tokle, L.; Hirth, G.

2017-12-01

Due to the abundance of quartz in the continental crust, quartz rheology is fundamental to our understanding of many geodynamic processes. Microstructures in many naturally deformed quartzites deformed at ductile conditions, indicate that dislocation creep is a common deformation mechanism in quartz at crustal conditions. The dislocation creep flow laws for quartz were constructed based on deformation experiments on aggregates at temperatures from 900 to 1100°C and strain rates of 10-5-10-6 s-1. Hirth et al. (2001) point out that these flow laws underestimate sample strengths for experiments conducted below 900°C; yet samples deformed as low as 700°C exhibit dislocation creep microstructures. To address this discrepancy, we compared 14 different studies on experimentally deformed wet quartzite aggregates ranging in temperature from 700 to 1100°C. Our analysis shows that two clear trends develop, one with a power-law stress exponent of n = 4 and the other, at a higher stress, with a stress exponent of n = 3. This change suggests a transition in the rate-limiting process; further, the conditions where the transition in stress exponent occurs correlate well with changes in quartz c-axis fabrics in general shear experiments. At low stresses, quartz fabrics are defined by a Y-max, indicating prism slip, while at higher stresses quartz fabrics are defined by basal slip. Our interpretation is that the c-axis fabrics represent the easy slip system in quartz and hypothesize that basal slip is rate-limiting at low stresses while prism is rate-limiting at high stresses. A change in the stress exponent has significant consequences for our understanding of high stress tectonic environments, such as the brittle-ductile transition and sediment rheology in a subducting slab.

Electrical Current Leakage and Open-Core Threading Dislocations in AlGaN-Based Deep Ultraviolet Light-Emitting Diodes.

DOE PAGES

Moseley, Michael William; Allerman, Andrew A.; Crawford, Mary H.; ...

2014-08-04

Electrical current transport through leakage paths in AlGaN-based deep ultraviolet (DUV) lightemitting diodes (LEDs) and their effect on LED performance are investigated. Open-core threading dislocations, or nanopipes, are found to conduct current through nominally insulating Al0.7Ga0.3N layers and limit the performance of DUV-LEDs. A defect-sensitive phosphoric acid etch reveals these opencore threading dislocations in the form of large, micron-scale hexagonal etch pits visible with optical microscopy, while closed-core screw-, edge-, and mixed-type threading dislocations are represented by smaller and more numerous nanometer-scale pits visible by atomic-force microscopy. The electrical and optical performances of DUV-LEDs fabricated on similar Si-doped Al0.7Ga0.3N templatesmore » are found to have a strong correlation to the density of these nanopipes, despite their small fraction (<0.1% in this study) of the total density of threading dislocations.« less

Control of epitaxial defects for optimal AlGaN/GaN HEMT performance and reliability

NASA Astrophysics Data System (ADS)

Green, D. S.; Gibb, S. R.; Hosse, B.; Vetury, R.; Grider, D. E.; Smart, J. A.

2004-12-01

High-quality GaN epitaxy continues to be challenged by the lack of matched substrates. Threading dislocations that result from heteroepitaxy are responsible for leakage currents, trapping effects, and may adversely affect device reliability. We have studied the impact of AlN nucleation conditions on the density and character of threading dislocations on SiC substrates. Variation of the nucleation temperature, V/III ratio, and thickness are seen to have a dramatic effect on the balance between edge, screw and mixed character dislocation densities. Electrical and structural properties have been assessed by AFM and XRD on a material level and through DC and RF performance at the device level. The ratio between dislocation characteristics has been established primarily through comparison of symmetric and asymmetric XRD rocking curve widths. The effect of each dislocation type on leakage current, RF power and reliability at 2 GHz, the targeted band for cell phone infrastructure applications, is discussed.

The equivalence between dislocation pile-ups and cracks

NASA Technical Reports Server (NTRS)

Liu, H. W.; Gao, Q.

1990-01-01

Cracks and dislocation pile-ups are equivalent to each other. In this paper, the physical equivalence between cracks and pile-ups is delineated, and the relationshps between crack-extension force, force on the leading dislocation, stress-intensity factor, and dislocation density are reviewed and summarized. These relations make it possible to extend quantitatively the recent advances in the concepts and practices of fracture mechanics to the studies of microfractures and microplastic deformations.

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.

Hall-petch law revisited in terms of collective dislocation dynamics.

PubMed

Louchet, François; Weiss, Jérôme; Richeton, Thiebaud

2006-08-18

The Hall-Petch (HP) law, that accounts for the effect of grain size on the plastic yield stress of polycrystals, is revisited in terms of the collective motion of interacting dislocations. Sudden relaxation of incompatibility stresses in a grain triggers aftershocks in the neighboring ones. The HP law results from a scaling argument based on the conservation of the elastic energy during such transfers. The Hall-Petch law breakdown for nanometric sized grains is shown to stem from the loss of such a collective behavior as grains start deforming by successive motion of individual dislocations.

Transformations of the dislocation structure of nickel single crystals

NASA Astrophysics Data System (ADS)

Alfyorova, E. A.; Lychagin, D. V.; Lychagina, L. L.; Tsvetkov, N. A.

2017-12-01

A relationship between different-scale deformations of crystals has not been established yet. In order to solve this task, we investigate the development of a deformation relief and dislocation structure in nickel single crystals after deformation. The stress tensor, crystallography, and geometry of specimens affect the organization of some shear along corresponding systems of sliding. The organization of shear shows some features of self-organization. It is associated with the self-organization in the dislocation subsystem analyzed previously. The effectiveness of reducing external and internal stresses determines patterns of deformation processes at different scale levels.

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

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

NASA Astrophysics Data System (ADS)

Suhir, E.; Yi, S.

2017-02-01

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

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

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

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

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

Wedge disclination dipole in an embedded nanowire within the surface/interface elasticity

NASA Astrophysics Data System (ADS)

Shodja, Hossein M.; Rezazadeh-Kalehbasti, Shaghayegh; Gutkin, Mikhail Yu

2013-12-01

The elastic behavior of an arbitrary oriented wedge disclination dipole located inside a nanowire, which in turn is embedded in an infinite matrix, is studied within the surface/interface theory of elasticity. The corresponding boundary value problem is provided using complex potential functions. The potential functions are defined through modeling the wedge disclination in terms of an equivalent distribution of edge dislocations. The interface effects on the stress field and strain energy of the disclination dipole and image forces acting on it, the influence of relative shear moduli of the nanowire and the matrix, as well as the different characteristics of the interface are studied thoroughly. It is shown that the positive interface modulus leads to increased strain energy and extra repulsive forces on the disclination dipole. The noticeable effect of the negative interface modulus is the non-classical oscillations in the stress field of the disclination dipole and an extra attractive image force on it.

Influence of deformation on dolomite rim growth kinetics

NASA Astrophysics Data System (ADS)

Helpa, Vanessa; Rybacki, Erik; Grafulha Morales, Luiz Fernando; Dresen, Georg

2015-04-01

Using a gas-deformation apparatus stacks of oriented calcite (CaCO3) and magnesite (MgCO3) single crystals were deformed at T = 750° C and P = 400 MPa to examine the influence of stress and strain on magnesio-calcite and dolomite (CaMg[CO3]2) growth kinetics. Triaxial compression and torsion tests performed at constant stresses between 7 and 38 MPa and test durations between 4 and 171 hours resulted in bulk strains of 0.03-0.2 and maximum shear strains of 0.8-5.6, respectively. The reaction rims consist of fine-grained (2-7 μm) dolomite with palisade-shaped grains growing into magnesite reactants and equiaxed granular dolomite grains next to calcite. In between dolomite and pure calcite, magnesio-calcite grains evolved with an average grain size of 20-40 μm. Grain boundaries tend to be straighter at high bulk strains and equilibrium angles at grain triple junctions are common within the magnesio-calcite layer. Transmission electron microscopy shows almost dislocation free palisades and increasing dislocation density within granular dolomite towards the magnesio-calcite boundary. Within magnesio-calcite grains, dislocations are concentrated at grain boundaries. Variation of time at fixed stress (˜17 MPa) yields a parabolic time dependence of dolomite rim width, indicating diffusion-controlled growth, similar to isostatic rim growth behavior. In contrast, the magnesio-calcite layer growth is enhanced compared to isostatic conditions. Triaxial compression at given time shows no significant change of dolomite rim thickness (11±2 μm) and width of magnesio-calcite layers (33±5 μm) with increasing stress. In torsion experiments, reaction layer thickness and grain size decrease from the center (low stress/strain) to the edge (high strain/stress) of samples. Chemical analysis shows nearly stoichiometric composition of dolomite palisades, but enhanced Ca content within granular grains, indicating local disequilibrium with magnesio-calcite, in particular for twisted samples. The shift from local equilibrium is ˜3 mol% in triaxial compression and ˜7 mol% in torsion. Electron backscatter diffraction analysis reveals a crystallographic preferred orientation (CPO) within the reaction layers with [0001] axes parallel to the compression/rotation axis and poles of {2-1-10} and {10-10} prismatic planes parallel to the reaction interface. Compared to isostatic annealing, the CPO is more pronounced and the amount of low-angle grain boundaries is increased. At the imposed experimental conditions, most of the bulk deformation is accommodated by calcite single, which is stronger than magnesite. Application of flow laws for magnesio-calcite and dolomite suggest that the fine-grained reaction products should deform by grain boundary diffusion creep, resulting in lower flow strength than the single crystal reactants. However, microstructural observations indicate that deformation of granular dolomite and magnesio-calcite is at least partially assisted by dislocation creep, which would result in an almost similar strength to calcite. Therefore, flattening of the reaction layers during triaxial compression may be counterbalanced by enhanced reaction rates, resulting in almost constant layer thickness, independent of the applied stress. For simple shear, the reduced reaction kinetics in the high stress/strain region of twisted samples may be related to increased nucleation rates, resulting in a lower grain size and rim thickness.

Modeling the Role of Dislocation Substructure During Class M and Exponential Creep. Revised

NASA Technical Reports Server (NTRS)

Raj, S. V.; Iskovitz, Ilana Seiden; Freed, A. D.

1995-01-01

The different substructures that form in the power-law and exponential creep regimes for single phase crystalline materials under various conditions of stress, temperature and strain are reviewed. The microstructure is correlated both qualitatively and quantitatively with power-law and exponential creep as well as with steady state and non-steady state deformation behavior. These observations suggest that creep is influenced by a complex interaction between several elements of the microstructure, such as dislocations, cells and subgrains. The stability of the creep substructure is examined in both of these creep regimes during stress and temperature change experiments. These observations are rationalized on the basis of a phenomenological model, where normal primary creep is interpreted as a series of constant structure exponential creep rate-stress relationships. The implications of this viewpoint on the magnitude of the stress exponent and steady state behavior are discussed. A theory is developed to predict the macroscopic creep behavior of a single phase material using quantitative microstructural data. In this technique the thermally activated deformation mechanisms proposed by dislocation physics are interlinked with a previously developed multiphase, three-dimensional. dislocation substructure creep model. This procedure leads to several coupled differential equations interrelating macroscopic creep plasticity with microstructural evolution.

Nonlocal elasticity tensors in dislocation and disclination cores

DOE PAGES

Taupin, V.; Gbemou, K.; Fressengeas, C.; ...

2017-01-07

We introduced nonlocal elastic constitutive laws for crystals containing defects such as dislocations and disclinations. Additionally, the pointwise elastic moduli tensors adequately reflect the elastic response of defect-free regions by relating stresses to strains and couple-stresses to curvatures, elastic cross-moduli tensors relating strains to couple-stresses and curvatures to stresses within convolution integrals are derived from a nonlocal analysis of strains and curvatures in the defects cores. Sufficient conditions are derived for positive-definiteness of the resulting free energy, and stability of elastic solutions is ensured. The elastic stress/couple stress fields associated with prescribed dislocation/disclination density distributions and solving the momentum andmore » moment of momentum balance equations in periodic media are determined by using a Fast Fourier Transform spectral method. Here, the convoluted cross-moduli bring the following results: (i) Nonlocal stresses and couple stresses oppose their local counterparts in the defects core regions, playing the role of restoring forces and possibly ensuring spatio-temporal stability of the simulated defects, (ii) The couple stress fields are strongly affected by nonlocality. Such effects favor the stability of the simulated grain boundaries and allow investigating their elastic interactions with extrinsic defects, (iii) Driving forces inducing grain growth or refinement derive from the self-stress and couple stress fields of grain boundaries in nanocrystalline configurations.« less

Elastic strain relaxation in interfacial dislocation patterns: II. From long- and short-range interactions to local reactions

NASA Astrophysics Data System (ADS)

Vattré, A.

2017-08-01

The long- and short-range interactions as well as planar reactions between two infinitely periodic sets of crossing dislocations are investigated using anisotropic elasticity theory in face- (fcc) and body- (bcc) centered cubic materials. Two preliminary cases are proposed to examine the substantial changes in the elastic stress states and the corresponding strain energies due to a slight rearrangement in the internal dislocation geometries and characters. In general, significant differences and discrepancies resulting from the considered cubic crystal structure and the approximation of isotropic elasticity are exhibited. In a third scenario, special attention is paid to connecting specific internal dislocation structures from the previous cases with non-equilibrium configurations predicted by the quantized Frank-Bilby equation for the (111) fcc and (110) bcc twist grain boundaries. The present solutions lead to the formation of energetically favorable dislocation junctions with non-randomly strain-relaxed configurations of lower energy. In particular, the local dislocation interactions and reactions form equilibrium hexagonal-shaped patterns with planar three-fold dislocation nodes without producing spurious far-field stresses.Numerical application results are presented from a selection of cubic metals including aluminum, copper, tantalum, and niobium. In contrast to the fcc materials, asymmetric dislocation nodes occur in the anisotropic bcc cases, within which the minimum-energy paths for predicting the fully strain-relaxed dislocation patterns depend on the Zener anisotropic factor with respect to unity. The associated changes in the dislocation structures as well as the removal of the elastic strain energy upon relaxations are quantified and also discussed.

Mesoscale modeling of strain induced solid state amorphization in crystalline materials

NASA Astrophysics Data System (ADS)

Lei, Lei

Solid state amorphization, and in particular crystalline to amorphous transformation, can be observed in metallic alloys, semiconductors, intermetallics, minerals, and also molecular crystals when they undergo irradiation, hydrogen gas dissolution, thermal interdiffusion, mechanical alloying, or mechanical milling. Although the amorphization mechanisms may be different, the transformation occurs due to the high level of disorder introduced into the material. Milling induced solid state amorphization is proposed to be the result of accumulation of crystal defects, specifically dislocations, as the material is subjected to large deformations during the high energy process. Thus, understanding the deformation mechanisms of crystalline materials will be the first step in studying solid state amorphization in crystalline materials, which not only has scientific contributions, but also technical consequences. A phase field dislocation dynamics (PFDD) approach is employed in this work to simulate plastic deformation of molecular crystals. This PFDD model has the advantage of tracking all of the dislocations in a material simultaneously. The model takes into account the elastic interaction between dislocations, the lattice resistance to dislocation motion, and the elastic interaction of dislocations with an external stress field. The PFDD model is employed to describe the deformation of molecular crystals with pharmaceutical applications, namely, single crystal sucrose, acetaminophen, gamma-indomethacin, and aspirin. Stress-strain curves are produced that result in expected anisotropic material response due to the activation of different slip systems and yield stresses that agree well with those from experiments. The PFDD model is coupled to a phase transformation model to study the relation between plastic deformation and the solid state amorphization of crystals that undergo milling. This model predicts the amorphous volume fraction in excellent agreement with experimental observation. Finally, we incorporate the effect of stress free surfaces to model the behavior of dislocations close to these surfaces and in the presence of voids.

Split and sealing of dislocated pipes at the front of a growing crystal

NASA Astrophysics Data System (ADS)

Gutkin, M. Yu.; Sheinerman, A. G.

2004-07-01

A model is suggested for the split of dislocated pipes at the front a growing crystal. Within the model, the pipe split occurs through the generation of a dislocation semi-loop at the pipe and crystal surfaces and its subsequent expansion into the crystal interior. The strain energy of such a dislocation semi-loop as well as the stress field of a dislocated pipe perpendicular to a flat crystal surface are calculated. The parameter regions are determined at which the expansion of the dislocation semi-loop is energetically favorable and, thus, the pipe split becomes irreversible. A mechanism is proposed for the formation of a stable semi-loop resulting in the split and possible subsequent overgrowth of the dislocated pipe.

Practical Study for the Properties of Hueckel Edge Detection Operator

NASA Astrophysics Data System (ADS)

Jabbar, Hameed M. Abdul; Hatem, Amal J.; Ameer, Inbethaq M. A. Abdul

2018-05-01

The first practical study for the Hueckel edge detection operator was presented in this research, where it is tested on standard step edge set images. A number of criteria were adopted to evaluate its practical performance, which is the accuracy in detecting the edges direction, the error in the edges location (dislocation), edges width, the calculated edge goodness criterion and the consumed execution time. These criteria were studied with the edge direction and the used disk radius of the Hueckel edge detection operator. Important notes were recorded for the performance of this operator depending on the direction of the edge and/or with the radius of the used disk. There is a variation in the performance of the operator in terms of precision in detecting of the edges direction and position. A discussion was presented for the all criteria adopted in the research.

Criteria for Yielding of Dispersion-Strengthened Alloys

NASA Technical Reports Server (NTRS)

Ansell, G. S.; Lenel, F. V.

1960-01-01

A dislocation model is presented in order to account for the yield behavior of alloys with a finely dispersed second-phase. The criteria for yielding used in the model, is that appreciable yielding occurs in these alloys when the shear stress due to piled-up groups of dislocations is sufficient to fracture or plastically deform the dispersed second-phase particles, relieving the back stress on the dislocation sources. Equations derived on the basis of this model, predict that the yield stress of the alloys varies as the reciprocal square root of the mean free path between dispersed particles. Experimental data is presented for several SAP-Type alloys, precipitation-hardened alloys and steels which are in good agreement with the yield strength variation as a function of dispersion spacing predicted by this theoretical treatment.

Void effect on mechanical properties of copper nanosheets under biaxial tension by molecular dynamics method

NASA Astrophysics Data System (ADS)

Yang, Zailin; Yang, Qinyou; Zhang, Guowei; Yang, Yong

2018-03-01

The relationship between void size/location and mechanical behavior under biaxial loading of copper nanosheets containing voids are investigated by molecular dynamics method. The void location and the void radius on the model are discussed in the paper. The main reason of break is discovered by the congruent relationship between the shear stress and its dislocations. Dislocations are nucleated at the corner of system and approached to the center of void with increased deformation. Here, a higher stress is required to fail the voided sheets when smaller voids are utilized. The void radius influences the time of destruction. The larger the void radius is, the lower the shear stress and the earlier the model breaks. The void location impacts the dislocation distribution.

Investigation of Strain-Relaxation Characteristics of Nitrides Grown on Si(110) by Metalorganic Chemical Vapor Deposition Using X-ray Diffraction

NASA Astrophysics Data System (ADS)

Jiang, Quanzhong; Lewins, Christopher J.; Allsopp, Duncan W. E.; Bowen, Chris R.; Wang, Wang N.

2013-08-01

This paper describes the effect of an interfacial biaxial stress field on the dislocation formation dynamics during epitaxial growth of nitrides on Si(110). The anisotropic mismatch stress between a 2-fold symmetry Si(110) atomic plane and the AlN basal plane of 6-fold symmetry may be relaxed through the creation of additional characteristic dislocations, as proposed by Ruiz-Zepeda et al. with Burgers vectors: b= 1/2[bar 2110] and b= [1bar 210], +/-60° from [11bar 20]. The dislocations generated under such a biaxial stress field appear annihilating more efficiently with increasing thickness, leading to high-quality nitride epilayers on Si(110) for improved quantum efficiency of InGaN/GaN quantum wells.

Atomic force microscopy study on crystal growth of Cu 2+-doped L-arginine phosphate monohydrate crystals

NASA Astrophysics Data System (ADS)

Geng, Y. L.; Xu, D.; Wang, Y. L.; Du, W.; Liu, H. Y.; Zhang, G. H.; Wang, X. Q.; Sun, D. L.

2005-01-01

Sub-steps and defects of the {1 0 0} planes of Cu 2+-doped L-arginine phosphate monohydrate (LAP) crystals are observed by atomic force microscopy. Formation of sub-steps is not due to the stacking faults but a result of single LAP: Cu 2+ molecule acting as growth unit. Two-dimensional (2D) nuclei with the same height as sub-steps occur on the step-edges. Impurities of Cu 2+ ions cause steps bunch and macrosteps formation. Liquid inclusions in the form of long channels form when the macrosteps lose their stability. Numerous small 3D growth hillocks are found in the channels. The extra stress induced by the 3D islands can result in dislocations and steps mismatches.

Late dislocation of rotating platform in New Jersey Low-Contact Stress knee prosthesis.

PubMed

Huang, Chun-Hsiung; Ma, Hon-Ming; Liau, Jiann-Jong; Ho, Fang-Yuan; Cheng, Cheng-Kung

2002-12-01

Five patients with late rotational dislocation of the rotating platform bearing in the New Jersey Low-Contact Stress total knee arthroplasty are reported. The prostheses had functioned well for 8 to 12 years before failure. Preoperative radiographs showed asymmetric femorotibial joint spaces. Entrapment of the dislocated bearing in three patients and spontaneous reduction of the dislocated bearing in another two patients were seen at revision. Femorotibial ligamentous instability was found after reduction. The retrieved polyethylene bearings showed advanced wear and cold flow deformities and the thickness was reduced. The revision arthroplasty was accomplished by replacement with a thicker bearing element. Progressive femorotibial ligament laxity and reduction of the thickness of polyethylene with wearing break down the originally well-balanced soft tissue tension of the knee. The rotational degree of the rotating platform bearing is unrestricted, which may result in late dislocation. Polyethylene wear is unavoidable in knee prostheses using metal contact with polyethylene even with a mobile-bearing design. Efforts to reduce polyethylene wear are mandatory.

The temperature dependence of heavy-ion damage in iron: A microstructural transition at elevated temperatures

NASA Astrophysics Data System (ADS)

Yao, Z.; Jenkins, M. L.; Hernández-Mayoral, M.; Kirk, M. A.

2010-12-01

A transition is reported in the dislocation microstructure of pure Fe produced by heavy-ion irradiation of thin foils, which took place between irradiation temperatures (T irr) of 300°C and 500°C. At T irr ≤ 400°C, the microstructure was dominated by round or irregular non-edge dislocation loops of interstitial nature and with Burgers vectors b = ½ ⟨111⟩, although interstitial ⟨100⟩ loops were also present; at 500°C only rectilinear pure-edge ⟨100⟩ loops occurred. At intermediate temperatures there was a gradual transition between the two types of microstructure. At temperatures just below 500°C, mobile ½⟨111⟩ loops were seen to be subsumed by sessile ⟨100⟩ loops. A possible explanation of these observations is given.

In Situ Deformation of Olivine in the Transmission Electron Microscope: from Dislocation Velocity Measurements to Stress-Strain Curves

NASA Astrophysics Data System (ADS)

Bollinger, C.; Idrissi, H.; Boioli, F.; Cordier, P.

2015-12-01

There is a growing consensus to recognize that rheological law established for olivine at high-temperature (ca. >1000°C) fail when extrapolated to low temperatures relevant for the lithospheric mantle. Hence it appears necessary to fit rheological laws against data at low temperatures where olivine tends to become more and more brittle. The usual approach consists in applying confining pressure to inhibit brittleness. Here we propose an innovative approach based on the use of very small samples and numerical modelling. New commercial in situ TEM nanotensile testing equipment recently developed by Hysitron.Inc is combined with weak-beam dark-field TEM diffraction contrast imaging in order to obtain information on the elementary mechanisms controlling the plasticity of olivine: namely glide of [001] screw dislocations. The olivine tensile beams dedicated for in situ TEM nanomechanical testing were produced using microfabrication techniques based on MEMS-type procedures. The testing geometry was designed as to induce maximum resolved shear stresses on the [001](110) slip system. Under tensile loads between 2 and 3 GPa, ductile behaviour was reached with the development and propagation of dislocation loops across the sample allowing to measure the velocity of screw and non-screw dislocations as a function of stress. This information is introduced into a numerical model involving Dislocation Dynamics in order to obtain the stress-strain curves describing the mechanical response of olivine single crystals deformed in tension at room temperature.

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.

The role of strain hardening in the transition from dislocation-mediated to frictional deformation of marbles within the Karakoram Fault Zone, NW India

NASA Astrophysics Data System (ADS)

Wallis, David; Lloyd, Geoffrey E.; Hansen, Lars N.

2018-02-01

The onset of frictional failure and potentially seismogenic deformation in carbonate rocks undergoing exhumation within fault zones depends on hardening processes that reduce the efficiency of aseismic dislocation-mediated deformation as temperature decreases. However, few techniques are available for quantitative analysis of dislocation slip system activity and hardening in natural tectonites. Electron backscatter diffraction maps of crystal orientations offer one such approach via determination of Schmid factors, if the palaeostress conditions can be inferred and the critical resolved shear stresses of slip systems are constrained. We analyse calcite marbles deformed in simple shear within the Karakoram Fault Zone, NW India, to quantify changes in slip system activity as the rocks cooled during exhumation. Microstructural evidence demonstrates that between ∼300 °C and 200-250 °C the dominant deformation mechanisms transitioned from dislocation-mediated flow to twinning and frictional failure. However, Schmid factor analysis, considering critical resolved shear stresses for yield of undeformed single crystals, indicates that the fraction of grains with sufficient resolved shear stress for glide apparently increased with decreasing temperature. Misorientation analysis and previous experimental data indicate that strain-dependent work hardening is responsible for this apparent inconsistency and promoted the transition from dislocation-mediated flow to frictional, and potentially seismogenic, deformation.

Plastic Deformation Behavior of Ti Foil Under Ultrasonic Vibration in Tension

NASA Astrophysics Data System (ADS)

Jiang, Shaosong; Jia, Yong; Zhang, Hongbin; Du, Zhihao; Lu, Zhen; Zhang, Kaifeng; He, Yushi; Wang, Ruizhuo

2017-04-01

The benefits of ultrasonic vibration auxiliary metal forming have been shown by many studies. In this study, a series of experiments were carried out to investigate the deformation behavior of Ti foils under ultrasonic vibration in tension, and the tensile properties of Ti foils with/without the application of ultrasonic vibration were investigated. Then, the microstructure of different tensile samples was analyzed by transmission electron microscopy (TEM). The results of the tensile experiments showed that the tensile strength of tensile samples was reduced when ultrasonic vibration was applied, while the elongation of these samples increased. The flow stress increased with increasing strain without applying ultrasonic vibration, while it decreased steeply when the ultrasonic vibration was applied, and this reduction of flow stress demonstrated the effect of acoustic softening on the properties of the material. Additionally, the range of flow stress reduction was inversely proportional to the time for which ultrasonic vibration was applied. The TEM images showed that there were remarkable differences in dislocation distribution and tangles with/without ultrasonic vibration. The dislocation distribution was inhomogeneous, and copious dislocation tangles were discovered without ultrasonic vibration. When it was applied, the parallel re-arrangement of dislocations could be observed and the mass of dislocation tangles was mostly absent.

EBSD in Antarctic and Greenland Ice

NASA Astrophysics Data System (ADS)

Weikusat, Ilka; Kuiper, Ernst-Jan; Pennock, Gill; Sepp, Kipfstuhl; Drury, Martyn

2017-04-01

Ice, particularly the extensive amounts found in the polar ice sheets, impacts directly on the global climate by changing the albedo and indirectly by supplying an enormous water reservoir that affects sea level change. The discharge of material into the oceans is partly controlled by the melt excess over snow accumulation, partly by the dynamic flow of ice. In addition to sliding over bedrock, an ice body deforms gravitationally under its own weight. In order to improve our description of this flow, ice microstructure studies are needed that elucidate the dominant deformation and recrystallization mechanisms involved. Deformation of hexagonal ice is highly anisotropic: ice is easily sheared in the basal plane and is about two orders of magnitude harder parallel to the c-axis. As dislocation creep is the dominant deformation mechanism in polar ice this strong anisotropy needs to be understood in terms of dislocation activity. The high anisotropy of the ice crystal is usually ascribed to a particular behaviour of dislocations in ice, namely the extension of dislocations into partials on the basal plane. Analysis of EBSD data can help our understanding of dislocation activity by characterizing subgrain boundary types thus providing a tool for comprehensive dislocation characterization in polar ice. Cryo-EBSD microstructure in combination with light microscopy measurements from ice core material from Antarctica (EPICA-DML deep ice core) and Greenland (NEEM deep ice core) are presented and interpreted regarding substructure identification and characterization. We examined one depth for each ice core (EDML: 656 m, NEEM: 719 m) to obtain the first comparison of slip system activity from the two ice sheets. The subgrain boundary to grain boundary threshold misorientation was taken to be 3-5° (Weikusat et al. 2011). EBSD analyses suggest that a large portion of edge dislocations with slip systems basal gliding on the basal plane were indeed involved in forming subgrain boundaries. However, an almost equal number of tilt subgrain boundaries were measured, involving dislocations gliding on non-basal planes (prism or prism slip). A few subgrain boundaries involving prism edge dislocation glide, as well as boundaries involving basal twist dislocation slip, were also identified. The finding that subgrain boundaries built up by dislocations gliding on non-basal planes are as frequent as those originating from basal plane slip is surprising and has impact on the discussion on rate-controlling processes for the ice flow descriptions of large ice masses with respect to sea-level evolution. Weikusat, I.; Miyamoto, A.; Faria, S. H.; Kipfstuhl, S.; Azuma, N. & Hondoh, T.: Subgrain boundaries in Antarctic ice quantified by X-ray Laue diffraction J. Glaciol., 2011, 57, 85-94

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

NASA Astrophysics Data System (ADS)

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

2018-03-01

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

The role of equiaxed particles on the yield stress of composites

NASA Technical Reports Server (NTRS)

Aikin, R. M., Jr.; Christodoulou, L.

1991-01-01

Possible explanations are investigated for the yield strength enhancement of discontinuously reinforced Al alloy matrix MMCs, for the case of low temperature yield behavior where deformation occurs by dislocation slide. The Al alloys contain 0.1-10 micron diameter equiaxed particle discontinuous reinforcements of TiB2, Al2O3, and TiC. Attention is given to a single dislocation-particle interaction model, and both dislocation pile-up and forest-hardening multiple-dislocation particle interaction models.

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.

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

The Cyclic Stress-Strain Behavior of a Single Crystal Nickel-Base Superalloy. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Gabb, Timothy P.

1988-01-01

The cyclic stress-strain response and similar deformation structures of the single crystal nickel based superalloy was described under a specific set of conditions. The isothermal low cycle fatigue response and deformation structures were described at a typical intermediate temperature and at high temperature. Specimens oriented near the (001) and (111) crystallographic orientations were tested at 1050 C, where more moderate orientation effects were expected. This enabled the description of the deformation structures at each of the 2 temperatures and their relationship to the observed cyclic stress-strain behavior. The initial yield strength of all specimens tested at 650 C was controlled by the shearing of the gamma prime precipitates by dislocation pairs. Low cycle fatigue tests at 650 C had cyclic hardening, which was associated with dislocation interactions in the gamma matrix. The initial yield strength of specimens tested at 1050 C was associated with dislocation bypassing of the gamma prime precipitates. Low cycle fatigue tests at 1050 C had cyclic softening, associated with extensive dislocation recovery at the gamma-gamma prime interfaces along with some gamma prime precipitate coarsening.

Numerical analysis of thermal stress and dislocation density distributions in large size multi-crystalline silicon ingots during the seeded growth process

NASA Astrophysics Data System (ADS)

Nguyen, Thi Hoai Thu; Chen, Jyh-Chen; Hu, Chieh; Chen, Chun-Hung; Huang, Yen-Hao; Lin, Huang-Wei; Yu, Andy; Hsu, Bruce

2017-06-01

In this study, a global transient numerical simulation of silicon growth from the beginning of the solidification process until the end of the cooling process is carried out modeling the growth of an 800 kg ingot in an industrial seeded directional solidification furnace. The standard furnace is modified by the addition of insulating blocks in the hot zone. The simulation results show that there is a significant decrease in the thermal stress and dislocation density in the modified model as compared to the standard one (a maximal decrease of 23% and 75% along the center line of ingot for thermal stress and dislocation density, respectively). This modification reduces the heating power consumption for solidification of the silicon melt by about 17% and shortens the growth time by about 2.5 h. Moreover, it is found that adjusting the operating conditions of modified model to obtain the lower growth rate during the early stages of the solidification process can lower dislocation density and total heater power.

Dislocation density evolution of AA 7020-T6 investigated by in-situ synchrotron diffraction under tensile load

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

Zhong, Z.Y., E-mail: zhengye.zhong@hzg.de; Helmholtz-Zentrum Geesthacht, Max-Planck-Straße 1, D-21502 Geesthacht; Brokmeier, H.-G.

2015-10-15

The dislocation density evolution along the loading axis of a textured AA 7020-T6 aluminum alloy during uniaxial tension was investigated by in-situ synchrotron diffraction. The highly parallel synchrotron beam at the High Energy Materials Science beamline P07 in PETRA III, DESY, offers excellent conditions to separate different influences for line broadening from which micro-strains are obtained using the modified Williamson–Hall method which is also for defect density investigations. During tensile loading the dislocation density evolution was documented from the as-received material (initial micro-strain state) to the relaxation of the strains during elastic deformation. After yield, the increasing rate of dislocationmore » density growth was relatively fast till half-way between yield and UTS. After that, the rate started to decrease and the dislocation density fluctuated as the elongation increased due to the generation and annihilation of dislocations. When dislocation generation is dominant, the correlation between the flow stress and dislocation density satisfies the Taylor equation. Besides, a method to correct the thickness effect on peak broadening is developed in the present study. - Highlights: • In-situ synchrotron diffraction was applied to characterize peak broadening. • Dislocation evolution along the loading axis during uniaxial tension was investigated. • A method to correct the sample thickness effect on peak broadening was developed. • Dislocation density and flow stress satisfy the Taylor equation at a certain range. • The texture before load and after sample fracture was analyzed.« less

Flow stress model in metal cutting

NASA Technical Reports Server (NTRS)

Black, J. T.

1978-01-01

A model for the plastic deformation that occurs in metal cutting, based on dislocation mechanics, is presented. The model explains the fundamental deformation structure that develops during machining and is based on the well known Cottrell-Stokes Law, wherein the flow stress is partitioned into two parts; an athermal part which occurs in the shear fronts (or shear bands); and a thermal part which occurs in the lamella regions. The deformation envokes the presence of a cellular dislocation distribution which always exists in the material ahead of the shear process. This 'alien' dislocation distribution either exists in the metal prior to cutting or is produced by the compressive stress field which operates in front of the shear process. The magnitude of the flow stress and direction of the shear are shown to be correlated to the stacking fault energy of the metal being cut. The model is tested with respect to energy consumption rates and found to be consistent with observed values.

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

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.

The inverse hall-petch relation in nanocrystalline metals: A discrete dislocation dynamics analysis

NASA Astrophysics Data System (ADS)

Quek, Siu Sin; Chooi, Zheng Hoe; Wu, Zhaoxuan; Zhang, Yong Wei; Srolovitz, David J.

2016-03-01

When the grain size in polycrystalline materials is reduced to the nanometer length scale (nanocrystallinity), observations from experiments and atomistic simulations suggest that the yield strength decreases (softening) as the grain size is decreased. This is in contrast to the Hall-Petch relation observed in larger sized grains. We incorporated grain boundary (GB) sliding and dislocation emission from GB junctions into the classical DDD framework, and recovered the smaller is weaker relationship observed in nanocrystalline materials. This current model shows that the inverse Hall-Petch behavior can be obtained through a relief of stress buildup at GB junctions from GB sliding by emitting dislocations from the junctions. The yield stress is shown to vary with grain size, d, by a d 1 / 2 relationship when grain sizes are very small. However, pure GB sliding alone without further plastic accomodation by dislocation emission is grain size independent.

Limits on passivating defects in semiconductors: the case of Si edge dislocations.

PubMed

Chan, Tzu-Liang; West, D; Zhang, S B

2011-07-15

By minimizing the free energy while constraining dopant density, we derive a universal curve that relates the formation energy (E(form)) of doping and the efficiency of defect passivation in terms of segregation of dopants at defect sites. The universal curve takes the simple form of a Fermi-Dirac distribution. Our imposed constraint defines a chemical potential that assumes the role of "Fermi energy," which sets the thermodynamic limit on the E(form) required to overcome the effect of entropy such that dopant segregation at defects in semiconductors can occur. Using Si edge dislocation as an example, we show by first-principles calculations how to map the experimentally measurable passivation efficiency to our calculated E(form) by using the universal curve for typical n- and p-type substitutional dopants. We show that n-type dopants are ineffective. Among p-type dopants, B can satisfy the thermodynamic limit while improving electronic properties.

Time-dependent stress concentration and microcrack nucleation in TiAl

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

Yoo, M.H.

1995-07-01

Localized stress evolution associated with the interaction of slip or twinning with an interface is treated by means of a superposition of the {open_quotes}internal loading{close_quotes} of a crystalline subsystem by dynamic dislocation pile-up and the stress relaxation by climb of interfacial dislocations. The peak value of a stress concentration factor depends on both the angular function that includes the effect of mode mixity and the ratio of characteristic times for stress relaxation and internal loading. The available experimental data on orientation and strain-rate dependences of interfacial fracture mode in polysynthetically twinned TiAl crystals are discussed in view of the theoreticalmore » concepts presented in this paper.« less

Exact solution of the generalized Peierls equation for arbitrary n-fold screw dislocation

NASA Astrophysics Data System (ADS)

Wang, Shaofeng; Hu, Xiangsheng

2018-05-01

The exact solution of the generalized Peierls equation is presented and proved for arbitrary n-fold screw dislocation. The displacement field, stress field and the energy of the n-fold dislocation are also evaluated explicitly. It is found that the solution defined on each individual fold is given by the tail cut from the original Peierls solution. In viewpoint of energetics, a screw dislocation has a tendency to spread the distribution on all possible slip planes which are contained in the dislocation line zone. Based on the exact solution, the approximated solution of the improved Peierls equation is proposed for the modified γ-surface.

Scale transition using dislocation dynamics and the nudged elastic band method

DOE PAGES

Sobie, Cameron; Capolungo, Laurent; McDowell, David L.; ...

2017-08-01

Microstructural features such as precipitates or irradiation-induced defects impede dislocation motion and directly influence macroscopic mechanical properties such as yield point and ductility. In dislocation-defect interactions both atomic scale and long range elastic interactions are involved. Thermally assisted dislocation bypass of obstacles occurs when thermal fluctuations and driving stresses contribute sufficient energy to overcome the energy barrier. The Nudged Elastic Band (NEB) method is typically used in the context of atomistic simulations to quantify the activation barriers for a given reaction. In this work, the NEB method is generalized to coarse-grain continuum representations of evolving microstructure states beyond the discretemore » particle descriptions of first principles and atomistics. The method we employed enables the calculation of activation energies for a View the MathML source glide dislocation bypassing a [001] self-interstitial atom loop of size in the range of 4-10 nm with a spacing larger than 150nm in α-iron for a range of applied stresses and interaction geometries. This study is complemented by a comparison between atomistic and continuum based prediction of barriers.« less

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

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

Gao, Yanfei; Larson, Ben C.

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Displacement Fields and Self-Energies of Circular and Polygonal Dislocation Loops in Homogeneous and Layered Anisotropic Solids

DOE PAGES

Gao, Yanfei; Larson, Ben C.

2015-06-19

There are large classes of materials problems that involve the solutions of stress, displacement, and strain energy of dislocation loops in elastically anisotropic solids, including increasingly detailed investigations of the generation and evolution of irradiation induced defect clusters ranging in sizes from the micro- to meso-scopic length scales. Based on a two-dimensional Fourier transform and Stroh formalism that are ideal for homogeneous and layered anisotropic solids, we have developed robust and computationally efficient methods to calculate the displacement fields for circular and polygonal dislocation loops. Using the homogeneous nature of the Green tensor of order -1, we have shown thatmore » the displacement and stress fields of dislocation loops can be obtained by numerical quadrature of a line integral. In addition, it is shown that the sextuple integrals associated with the strain energy of loops can be represented by the product of a pre-factor containing elastic anisotropy effects and a universal term that is singular and equal to that for elastic isotropic case. Furthermore, we have found that the self-energy pre-factor of prismatic loops is identical to the effective modulus of normal contact, and the pre-factor of shear loops differs from the effective indentation modulus in shear by only a few percent. These results provide a convenient method for examining dislocation reaction energetic and efficient procedures for numerical computation of local displacements and stresses of dislocation loops, both of which play integral roles in quantitative defect analyses within combined experimental–theoretical investigations.« less

Dislocation Dissociation Strongly Influences on Frank—Read Source Nucleation and Microplasticy of Materials with Low Stacking Fault Energy

NASA Astrophysics Data System (ADS)

Huang, Min-Sheng; Zhu, Ya-Xin; Li, Zhen-Huan

2014-04-01

The influence of dislocation dissociation on the evolution of Frank—Read (F-R) sources is studied using a three-dimensional discrete dislocation dynamics simulation (3D-DDD). The classical Orowan nucleation stress and recently proposed Benzerga nucleation time models for F-R sources are improved. This work shows that it is necessary to introduce the dislocation dissociation scheme into 3D-DDD simulation, especially for simulations on micro-plasticity of small sized materials with low stacking fault energy.

Dislocation based controlling of kinematic hardening contribution to simulate primary and secondary stages of uniaxial ratcheting

NASA Astrophysics Data System (ADS)

Bhattacharjee, S.; Dhar, S.; Acharyya, S. K.

2017-07-01

The primary and secondary stages of the uniaxial ratcheting curve for the C-Mn steel SA333 have been investigated. Stress controlled uniaxial ratcheting experiments were conducted with different mean stresses and stress amplitudes to obtain curves showing the evolution of ratcheting strain with number of cycles. In stage-I of the ratcheting curve, a large accumulation of ratcheting strain occurs, but at a decreasing rate. In contrast, in stage-II a smaller accumulation of ratcheting strain is found and the ratcheting rate becomes almost constant. Transmission electron microscope observations reveal that no specific dislocation structures are developed during the early stages of ratcheting. Rather, compared with the case of low cycle fatigue, it is observed that sub-cell formation is delayed in the case of ratcheting. The increase in dislocation density as a result of the ratcheting strain is obtained using the Orowan equation. The ratcheting strain is obtained from the shift of the plastic strain memory surface. The dislocation rearrangement is incorporated in a functional form of dislocation density, which is used to calibrate the parameters of a kinematic hardening law. The observations are formulated in a material model, plugged into the ABAQUS finite element (FE) platform as a user material subroutine. Finally the FE-simulated ratcheting curves are compared with the experimental curves.

Deformation bands, the LEDS theory, and their importance in texture development: Part II. Theoretical conclusions

NASA Astrophysics Data System (ADS)

Kuhlmann-Wilsdorf, D.

1999-09-01

The facts regarding “regular” deformation bands (DBs) outlined in Part I of this series of articles are related to the low-energy dislocation structure (LEDS) theory of dislocation-based plasticity. They prompt an expansion of the theory by including the stresses due to strain gradients on account of changing selections of slip systems to the previously known dislocation driving forces. This last and until now neglected driving force is much smaller than the components considered hitherto, principally due to the applied stress and to mutual stress-screening among neighbor dislocations. As a result, it permits a near-proof of the LEDS hypothesis, to wit that among all structures which, in principle, are accessible to the dislocations, that one is realized which has the lowest free energy. Specifically, the temperature rises that would result from annihilating the largest DBs amount to only several millidegrees Centigrade, meaning that they, and by implication the entire dislocation structures, are close to thermodynamical equilibrium. This is in stark contrast to the assumption of the presently widespread self-organizing dislocation structures (SODS) modeling that plastic deformation occurs far from equilibrium and is subject to Prigogine’s thermodynamics of energy-flow-through systems. It also holds out promise for future rapid advances in the construction of constitutive equations, since the LEDS hypothesis is the principal basis of the LEDS theory of plastic deformation and follows directly from the second law of thermodynamics in conjunction with Newton’s third law. By contrast, all other known models of metal plasticity are in conflict with the LEDS hypothesis. In regard to texture modeling, the present analysis shows that Taylor’s criterion of minimum plastic work is incorrect and should be replaced by the criterion of minimum free energy in the stressed state. Last, the LEDS hypothesis is but a special case of the more general low-energy structure (LES) hypothesis, applying to plastic deformation independent of the deformation mechanism. It is thus seen that plastic deformation is one of nature’s means to generate order, as a byproduct of the entropy generation when mechanical work is largely converted into heat.

The dependency of different stress-level SiN capping films and the optimization of D-SMT process for the device performance booster in Ge n-FinFETs

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

Liao, M.-H., E-mail: mhliaoa@ntu.edu.tw; Chen, P.-G.

The capping stressed SiN film is one of the most important process steps for the dislocation stress memorization technique (D-SMT), which has been used widely in the current industry, for the electron mobility booster in the n-type transistor beyond the 32/28 nm technology node. In this work, we found that the different stress-level SiN capping films influence the crystal re-growth velocities along different directions including [100] and [110] directions in Ge a lot. It can be further used to optimize the dislocation angle in the transistor during the D-SMT process and then results in the largest channel stress distribution to boostmore » the device performance in the Ge n-FinFETs. Based on the theoretical calculation and experimental demonstration, it shows that the Ge three dimensional (3D) n-FinFETs device performance is improved ∼55% with the usage of +3 GPa tensile stressed SiN capping film. The channel stress and dislocation angle is ∼2.5 GPa and 30°, measured by the atomic force microscope-Raman technique and transmission electron microscopy, respectively.« less

Modeling of dislocation dynamics in germanium Czochralski growth

NASA Astrophysics Data System (ADS)

Artemyev, V. V.; Smirnov, A. D.; Kalaev, V. V.; Mamedov, V. M.; Sidko, A. P.; Podkopaev, O. I.; Kravtsova, E. D.; Shimansky, A. F.

2017-06-01

Obtaining very high-purity germanium crystals with low dislocation density is a practically difficult problem, which requires knowledge and experience in growth processes. Dislocation density is one of the most important parameters defining the quality of germanium crystal. In this paper, we have performed experimental study of dislocation density during 4-in. germanium crystal growth using the Czochralski method and comprehensive unsteady modeling of the same crystal growth processes, taking into account global heat transfer, melt flow and melt/crystal interface shape evolution. Thermal stresses in the crystal and their relaxation with generation of dislocations within the Alexander-Haasen model have been calculated simultaneously with crystallization dynamics. Comparison to experimental data showed reasonable agreement for the temperature, interface shape and dislocation density in the crystal between calculation and experiment.

Enhancing elastic stress relaxation in SiGe/Si heterostructures by Si pillar necking

NASA Astrophysics Data System (ADS)

Isa, F.; Salvalaglio, M.; Arroyo Rojas Dasilva, Y.; Jung, A.; Isella, G.; Erni, R.; Timotijevic, B.; Niedermann, P.; Gröning, P.; Montalenti, F.; von Känel, H.

2016-10-01

We demonstrate that the elastic stress relaxation mechanism in micrometre-sized, highly mismatched heterostructures may be enhanced by employing patterned substrates in the form of necked pillars, resulting in a significant reduction of the dislocation density. Compositionally graded Si1-xGex crystals were grown by low energy plasma enhanced chemical vapour deposition, resulting in tens of micrometres tall, three-dimensional heterostructures. The patterned Si(001) substrates consist of micrometre-sized Si pillars either with the vertical {110} or isotropically under-etched sidewalls resulting in narrow necks. The structural properties of these heterostructures were investigated by defect etching and transmission electron microscopy. We show that the dislocation density, and hence the competition between elastic and plastic stress relaxation, is highly influenced by the shape of the substrate necks and their proximity to the mismatched epitaxial material. The SiGe dislocation density increases monotonically with the crystal width but is significantly reduced by the substrate under-etching. The drop in dislocation density is interpreted as a direct effect of the enhanced compliance of the under-etched Si pillars, as confirmed by the three-dimensional finite element method simulations of the elastic energy distribution.

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.

Lieb polariton topological insulators

NASA Astrophysics Data System (ADS)

Li, Chunyan; Ye, Fangwei; Chen, Xianfeng; Kartashov, Yaroslav V.; Ferrando, Albert; Torner, Lluis; Skryabin, Dmitry V.

2018-02-01

We predict that the interplay between the spin-orbit coupling, stemming from the transverse electric-transverse magnetic energy splitting, and the Zeeman effect in semiconductor microcavities supporting exciton-polariton quasiparticles, results in the appearance of unidirectional linear topological edge states when the top microcavity mirror is patterned to form a truncated dislocated Lieb lattice of cylindrical pillars. Periodic nonlinear edge states are found to emerge from the linear ones. They are strongly localized across the interface and they are remarkably robust in comparison to their counterparts in honeycomb lattices. Such robustness makes possible the existence of nested unidirectional dark solitons that move steadily along the lattice edge.

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

Void initiation from interfacial debonding of spherical silicon particles inside a silicon-copper nanocomposite: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Cui, Yi; Chen, Zengtao

2017-02-01

Silicon particles with diameters from 1.9 nm to 30 nm are embedded in a face-centered-cubic copper matrix to form nanocomposite specimens for simulation. The interfacial debonding of silicon particles from the copper matrix and the subsequent growth of nucleated voids are studied via molecular dynamics (MD). The MD results are examined from several different perspectives. The overall mechanical performance is monitored by the average stress-strain response and the accumulated porosity. The ‘relatively farthest-traveled’ atoms are identified to characterize the onset of interfacial debonding. The relative displacement field is plotted to illustrate both subsequent interfacial debonding and the growth of a nucleated void facilitated by a dislocation network. Our results indicate that the initiation of interfacial debonding is due to the accumulated surface stress if the matrix is initially dislocation-free. However, pre-existing dislocations can make a considerable difference. In either case, the dislocation emission also contributes to the subsequent debonding process. As for the size effect, the debonding of relatively larger particles causes a drop in the stress-strain curve. The volume fraction of second-phase particles is found to be more influential than the size of the simulation box on the onset of interfacial debonding. The volume fraction of second-phase particles also affects the shape of the nucleated void and, therefore, influences the stress response of the composite.

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.

Documentation of programs that compute 1) quasi-static tilts produced by an expanding dislocation loop in an elastic and viscoelastic material, and 2) surface shear stresses, strains, and shear displacements produced by screw dislocations in a vertical slab with modulus contrast

USGS Publications Warehouse

McHugh, Stuart

1976-01-01

The material in this report can be grouped into two categories: 1) programs that compute tilts produced by a vertically oriented expanding rectangular dislocation loop in an elastic or viscoelastic material and 2) programs that compute the shear stresses, strains, and shear displacements in a three-phase half-space (i.e. a half-space containing a vertical slab). Each section describes the relevant theory, and provides a detailed guide to the operation of the programs. A series of examples is provided at the end of each section.

Deformation of superplastic alloys at relatively low strain rates

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

Grivas, D.

1978-02-01

The superplastic and sub-superplastic creep properties of Pb-Sn eutectic and Al-Zn eutectoid alloys were studied. Various thermomechanical treatments we tested to check the possibilities of whether the subsuperplastic deformation mechanism is affected by these treatments. All thermomechanical histories were found to reveal the same stress exponent, which is believed to be indicative of the predominant mechanism. The mechanical data in the low stress region lead us to suggest that dislocation glide is the predominant mechanism in this region. At higher stresses extensive grain boundary sliding takes place and the dislocation movement is directed to relieve the stress concentration developed bymore » the grain movement.« less

Atomistic-Dislocation Dynamics Modelling of Fatigue Microstructure and Crack Initiation

DTIC Science & Technology

2013-01-01

experimental) Brown 󈧊 (Upper Limit’) DD Results Mughrabi & Pschenitzka 󈧉 (Lower Limit) y = 50 nm d, = 1.2 |lm M I 4 Simulations of... Mughrabi . Introduction to the viewpoint set on: Surface effects in cyclic deformation and fatigue. Scr. Metall. Mater., 26(10): 1499-1504, 1992. [3] E...associated with dislocation cores. Acta Materialia, 53:13131321, 2005. [13] H. Mughrabi . The long-range internal stress field in the dislocation wall

The role of frictional stress in misfit dislocation generation

NASA Technical Reports Server (NTRS)

Jesser, William A.

1992-01-01

An evaluation is undertaken of the implications of the friction and frictionless models of misfit dislocation generation in view of: (1) experimental measurements of the critical thickness above which misfit dislocation generation occurs; and (2) the amount of strain relaxation that occurs as a function of layer thickness, time, and temperature. Some of the frictional force terms that were expected to exhibit a strong temperature dependence are shown to be independent of temperature.

Dislocation Multiplication by Single Cross Slip for FCC at Submicron Scales

NASA Astrophysics Data System (ADS)

Cui, Yi-Nan; Liu, Zhan-Li; Zhuang, Zhuo

2013-04-01

The operation mechanism of single cross slip multiplication (SCSM) is investigated by studying the response of one dislocation loop expanding in face-centered-cubic (FCC) single crystal using three-dimensional discrete dislocation dynamic (3D-DDD) simulation. The results show that SCSM can trigger highly correlated dislocation generation in a short time, which may shed some light on understanding the large strain burst observed experimentally. Furthermore, we find that there is a critical stress and material size for the operation of SCSM, which agrees with that required to trigger large strain burst in the compression tests of FCC micropillars.

Measurements of stress fields near a grain boundary: Exploring blocked arrays of dislocations in 3D

DOE PAGES

Guo, Y.; Collins, D. M.; Tarleton, E.; ...

2015-06-24

The interaction between dislocation pile-ups and grain boundaries gives rise to heterogeneous stress distributions when a structural metal is subjected to mechanical loading. Such stress heterogeneity leads to preferential sites for damage nucleation and therefore is intrinsically linked to the strength and ductility of polycrystalline metals. To date the majority of conclusions have been drawn from 2D experimental investigations at the sample surface, allowing only incomplete observations. Our purpose here is to significantly advance the understanding of such problems by providing quantitative measurements of the effects of dislocation pile up and grain boundary interactions in 3D. This is accomplished throughmore » the application of differential aperture X-ray Laue micro-diffraction (DAXM) and high angular resolution electron backscatter diffraction (HR-EBSD) techniques. Our analysis demonstrates a similar strain characterization capability between DAXM and HR-EBSD and the variation of stress intensity in 3D reveals that different parts of the same grain boundary may have different strengths in resisting slip transfer, likely due to the local grain boundary curvature.« less

Analysis of Dislocation Emission during Microvoid Growth in Ductile Metals

NASA Astrophysics Data System (ADS)

Belak, James; Rudd, Robert E.

2001-03-01

Fracture in ductile metals occurs through the nucleation and growth of microscopic voids. This talk focuses on the initial stage when dislocations are first emitted from the void surface. The model system consists of a spherical void in an otherwise perfect crystal under triaxial tension. The stress field is calculated using continuum techniques, both finite element and analytic forms due to Eshelby, and compared with large-scale molecular dynamics (MD) simulation. The stress field is used to derive a criterion for dislocation nucleation on the glide planes intersecting the void surface. The critical resolved shear stress and the unstable stacking fault energy for the strain at the surface are used to compare to the critical stress for void growth in the MD simulations. Acknowledgement: This work was performed under the auspices of the US Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48. [1] J. Belak, "On the nucleation and growth of voids at high strain-rates," J. Comp.-Aided Mater. Design 5, 193 (1998).

Hydrogen-vacancy-dislocation interactions in α-Fe

NASA Astrophysics Data System (ADS)

Tehranchi, A.; Zhang, X.; Lu, G.; Curtin, W. A.

2017-02-01

Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum-mechanics/molecular-mechanics method calculations confirm molecular statics simulations based on embedded atom method (EAM) potential showing that individual vacancies on the compressive side of an edge dislocation can be transported with the dislocation as it glides. Molecular dynamics simulations based on EAM potential then show, however, that vacancy clusters in the glide plane of an approaching dislocation are annihilated or reduced in size by the creation of a double-jog/climb process that is driven by the huge reduction in energy accompanying vacancy annihilation. The effectiveness of annihilation/reduction processes is not reduced by the presence of hydrogen in the vacancy clusters because typical V-H cluster binding energies are much lower than the vacancy formation energy, except at very high hydrogen content in the cluster. Analysis of a range of configurations indicates that hydrogen plays no special role in stabilizing nanovoids against jog formation processes that shrink voids. Experimental observations of nanovoids on the fracture surfaces of steels must be due to as-yet undetermined processes.

Observations of Screw Dislocation Driven Growth and Faceting During CVD Homoepitaxy on 4H-SiC On-Axis Mesa Arrays

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Trunek, Andrew J.; Powell, J. Anthony; Picard, Yoosuf N.; Twigg, Mark E.

2009-01-01

Previous studies of (0001) homoepitaxial growth carried out on arrays of small-area mesas etched into on-axis silicon-face 4H-SiC wafers have demonstrated that spiral growth emanating from at least one screw dislocation threading the mesa is necessary in order for a mesa to grow taller in the <0001> (c-axis vertical) direction while maintaining 4H stacking sequence [1]. However, even amongst mesas containing the screw dislocation step source necessary for vertical c-axis growth, we have observed striking differences in the height and faceting that evolve during prolonged homoepitaxial growths. This paper summarizes Atomic Force Microscopy (AFM), Electron Channeling Contrast Imaging (ECCI), Scanning Electron Microscopy (SEM), and optical microscopy observations of this phenomenon. These observations support our initially proposed model [2] that the observed large variation (for mesas where 3C-SiC nucleation has not occurred) is related to the lateral positioning of a screw dislocation step source within each etched mesa. When the screw dislocation step source is located close enough to the developing edge/sidewall facet of a mesa, the c-axis growth rate and facet angle are affected by the resulting interaction. In particular, the intersection (or near intersection) of the inward-sloping mesa sidewall facet with the screw dislocation appears to impede the rate at which the spiral provides new steps required for c-axis growth. Also, the inward slope of the sidewall facet during growth (relative to other sidewalls of the same mesa not near the screw dislocation) seems to be impeded by the screw dislocation. In contrast, mesas whose screw dislocations are centrally located grow vertically, but inward sloping sidewall facets shrink the area of the top (0001) growth surface almost to the point of vanishing.

Complex Interaction Mechanisms between Dislocations and Point Defects Studied in Pure Aluminium by a Two-Wave Acoustic Coupling Technique

NASA Astrophysics Data System (ADS)

Bremnes, O.; Progin, O.; Gremaud, G.; Benoit, W.

1997-04-01

Ultrasonic experiments using a two-wave coupling technique were performed on 99.999% pure Al in order to study the interaction mechanisms occurring between dislocations and point defects. The coupling technique consists in measuring the attenuation of ultrasonic waves during low-frequency stress cycles (t). One obtains closed curves () called signatures whose shape and evolution are characteristic of the interaction mechanism controlling the low-frequency dislocation motion. The signatures observed were attributed to the interaction of the dislocations with extrinsic point defects. A new interpretation of the evolution of the signatures measured below 200 K with respect to temperature and stress frequency had to be established: they are linked to depinning of immobile point defects, whereas a thermally activated depinning mechanism does not fit the observations. The signatures measured between 200 and 370 K were interpreted as dragging and depinning of extrinsic point defects which are increasingly mobile with temperature.

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

DOE PAGES

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

2016-06-15

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

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

PubMed Central

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

2016-01-01

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

The Relevant Role of Dislocations in the Martensitic Transformations in Cu-Al-Ni Single Crystals

NASA Astrophysics Data System (ADS)

Gastien, R.; Sade, M.; Lovey, F. C.

2018-03-01

The interaction between dislocations and martensitic transformations in Cu-Al-Ni alloys is shortly reviewed. Results from many researchers are critically analyzed towards a clear interpretation of the relevant role played by dislocations on the properties of shape memory alloys in Cu-based alloys. Both thermally and stress-induced transformations are considered and focus is paid on two types of transitions, the β→β' and the formation of a mixture of martensites: β→β' + γ'. After cycling in the range where both martensites are formed, the twinned γ' phase is inhibited and cycling evolves into the formation of only β'. A model which considers the difference in energy of each γ' twin variant due to the introduced dislocations quantitatively explains the inhibition of γ' in both thermally and stress-induced cycling. The type of dislocations which are mainly introduced, mixed with Burgers vector belonging to the basal plane of the β' martensite, enables also to explain the unmodified mechanical behavior during β→β' cycling. The reported behavior shows interesting advantages of Cu-Al-Ni single crystals if mechanical properties are comparatively considered with those in other Cu-based alloys.

Luminescence from defects in GaN

NASA Astrophysics Data System (ADS)

Reshchikov, M. A.; Morkoç, H.

2006-04-01

We briefly review the luminescence properties of defects in GaN and focus on the most interesting defects. In particular, the blue luminescence band peaking at about 3 eV is assigned to different defects and even different types of transitions in undoped, Zn-, C-, and Mg-doped GaN. Another omnipresent luminescence band, the yellow luminescence band may have different origin in nearly dislocation-free freestanding GaN templates, undoped thin layers, and carbon-doped GaN. The Y4 and Y7 lines are caused by recombination at unidentified point defects captured by threading edge dislocations.

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.

Implementation of the nudged elastic band method in a dislocation dynamics formalism: Application to dislocation nucleation

NASA Astrophysics Data System (ADS)

Geslin, Pierre-Antoine; Gatti, Riccardo; Devincre, Benoit; Rodney, David

2017-11-01

We propose a framework to study thermally-activated processes in dislocation glide. This approach is based on an implementation of the nudged elastic band method in a nodal mesoscale dislocation dynamics formalism. Special care is paid to develop a variational formulation to ensure convergence to well-defined minimum energy paths. We also propose a methodology to rigorously parametrize the model on atomistic data, including elastic, core and stacking fault contributions. To assess the validity of the model, we investigate the homogeneous nucleation of partial dislocation loops in aluminum, recovering the activation energies and loop shapes obtained with atomistic calculations and extending these calculations to lower applied stresses. The present method is also applied to heterogeneous nucleation on spherical inclusions.

Effect of He+ fluence on surface morphology and ion-irradiation induced defect evolution in 7075 aluminum alloys

NASA Astrophysics Data System (ADS)

Ni, Kai; Ma, Qian; Wan, Hao; Yang, Bin; Ge, Junjie; Zhang, Lingyu; Si, Naichao

2018-02-01

The evolution of microstructure for 7075 aluminum alloys with 50 Kev helium ions irradiation were studied by using optical microscopy (OM), scanning electron microscopy (SEM), x-ray diffraction (XRD) and transmission electron microscopy (TEM). The fluences of 1 × 1015, 1 × 1016 and 1 × 1017 ions cm-2 were selected, and irradiation experiments were conducted at room temperatures. The transmission process of He+ ions was simulated by using SRIM software, including distribution of ion ranges, energy losses and atomic displacements. Experimental results show that irradiated pits and micro-cracks were observed on irradiation sample surface, and the size of constituent particles (not including Mg2Si) decreased with the increasing dose. The x-ray diffraction results of the pair of peaks is better resolved in irradiated samples might indicate that the stressed structure consequence due to crystal defects (vacancies and interstitials) after He+ implantation. TEM observation indicated that the density of MgZn2 phase was significantly reduced after helium ion irradiation which is harmful to strength. Besides, the development of compressive stress produced a large amount of dislocation defects in the 1015 ions cm-2 sample. Moreover, higher fluence irradiation produced more dislocations in sample. At fluence of 1016 ions cm-2, dislocation wall formed by dislocation slip and aggregation in the interior of grains, leading to the refinement of these grains. As fluence increased to 1017 ions cm-2, dislocation loops were observed in pinned dislocation. Moreover, dislocation as effective defect sink, irradiation-induced vacancy defects aggregated to these sinks, and resulted in the formation of helium bubbles in dislocation.

Modeling dislocation generation in high pressure Czochralski growth of indium phosphide single crystals

NASA Astrophysics Data System (ADS)

Pendurti, Srinivas

InP is an important material for opto-electronic and high speed electronics applications. Its main use today is as the substrate material for epitaxy to produce GaInAsP lasers. The present technology for growing bulk InP is the high pressure Czochralski process. Bulk InP grown through this technique suffers from presence of a high density of line defects or dislocations, which are produced by thermal stresses the material goes through during its growth in the high temperature furnace. Modeling of these thermal stresses and the resulting plastic deformation, giving rise to dislocation densities, entails simulation of the entire thermal history of the crystal during its growth in the furnace, and studying the deformation of the crystal through suitable visco-plastic constitutive equations. Accordingly, a suitable visco-plastic model for deformation of InP was constructed, integrated with the ABAQUS finite element code, and verified through experimental data for uniaxial constant strain rate deformation tests available in literature. This was then coupled with a computation fluid dynamics model, predicting the entire temperature history in the furnace during crystal growth, to study the plastic deformation and dislocation density evolution in the crystal during growth. Growth in a variety of conditions was simulated and those conditions that generate minimum dislocation density identified. Macroscopic controllable parameters that affect the dislocation densities the most, have also been delineated. It was found that the strength of gas convection in the Czochralski furnace has the strongest effect on the dislocation densities in the fully grown crystal. Comparison of the simulated dislocation densities on wafers, with experimentally recorded etch pit profiles on as-grown crystals was reasonable. Finally some limitations in the work are discussed and avenues for future work identified.

Nanocrystalline copper films are never flat.

PubMed

Zhang, Xiaopu; Han, Jian; Plombon, John J; Sutton, Adrian P; Srolovitz, David J; Boland, John J

2017-07-28

We used scanning tunneling microscopy to study low-angle grain boundaries at the surface of nearly planar copper nanocrystalline (111) films. The presence of grain boundaries and their emergence at the film surface create valleys composed of dissociated edge dislocations and ridges where partial dislocations have recombined. Geometric analysis and simulations indicated that valleys and ridges were created by an out-of-plane grain rotation driven by reduction of grain boundary energy. These results suggest that in general, it is impossible to form flat two-dimensional nanocrystalline films of copper and other metals exhibiting small stacking fault energies and/or large elastic anisotropy, which induce a large anisotropy in the dislocation-line energy. Copyright © 2017 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Physics-Based Crystal Plasticity Modeling of Single Crystal Niobium

NASA Astrophysics Data System (ADS)

Maiti, Tias

Crystal plasticity models based on thermally activated dislocation kinetics has been successful in predicting the deformation behavior of crystalline materials, particularly in face-centered cubic (fcc) metals. In body-centered cubic (bcc) metals success has been limited owing to ill-defined slip planes. The flow stress of a bcc metal is strongly dependent on temperature and orientation due to the non-planar splitting of a/2 screw dislocations. As a consequence of this, bcc metals show two unique deformation characteristics: (a) thermally-activated glide of screw dislocations--the motion of screw components with their non-planar core structure at the atomistic level occurs even at low stress through the nucleation (assisted by thermal activation) and lateral propagation of dislocation kink pairs; (b) break-down of the Schmid Law, where dislocation slip is driven only by the resolved shear stress. Since the split dislocation core has to constrict for a kink pair formation (and propagation), the non-planarity of bcc screw dislocation cores entails an influence of (shear) stress components acting on planes other than the primary glide plane on their mobility. Another consequence of the asymmetric core splitting on the glide plane is a direction-sensitive slip resistance, which is termed twinning/atwinning sense of shear and should be taken into account when developing constitutive models. Modeling thermally-activated flow including the above-mentioned non-Schmid effects in bcc metals has been the subject of much work, starting in the 1980s and gaining increased interest in recent times. The majority of these works focus on single crystal deformation of commonly used metals such as Iron (Fe), Molybdenum (Mo), and Tungsten (W), while very few published studies address deformation behavior in Niobium (Nb). Most of the work on Nb revolves around fitting parameters of phenomenological descriptions, which do not capture adequately the macroscopic multi-stage hardening behavior and evolution of crystallographic texture from a physical point of view. Therefore, we aim to develop a physics-based crystal plasticity model that can capture these effects as a function of grain orientations, microstructure parameters, and temperature. To achieve this goal, first, a new dilatational constitutive model is developed for simulating the deformation of non-compact geometries (foams or geometries with free surfaces) using the spectral method. The model has been used to mimic the void-growth behavior of a biaxially loaded plate with a circular inclusion. The results show that the proposed formulation provides a much better description of void-like behavior compared to the pure elastic behavior of voids. Using the developed dilatational framework, periodic boundary conditions arising from the spectral solver has been relaxed to study the tensile deformation behavior of dogbone-shaped Nb single crystals. Second, a dislocation density-based constitutive model with storage and recovery laws derived from Discrete Dislocation Dynamics (DDD) is implemented to model multi-stage strain hardening. The influence of pre-deformed dislocation content, dislocation interaction strengths and mean free path on stage II hardening is then simulated and compared with in-situ tensile experiments.

Full elastic strain and stress tensor measurements from individual dislocation cells in copper through-Si vias

DOE PAGES

Levine, Lyle E.; Okoro, Chukwudi A.; Xu, Ruqing

2015-09-30

We report non-destructive measurements of the full elastic strain and stress tensors from individual dislocation cells distributed along the full extent of a 50 mm-long polycrystalline copper via in Si is reported. Determining all of the components of these tensors from sub-micrometre regions within deformed metals presents considerable challenges. The primary issues are ensuring that different diffraction peaks originate from the same sample volume and that accurate determination is made of the peak positions from plastically deformed samples. For these measurements, three widely separated reflections were examined from selected, individual grains along the via. The lattice spacings and peak positionsmore » were measured for multiple dislocation cell interiors within each grain and the cell-interior peaks were sorted out using the measured included angles. A comprehensive uncertainty analysis using a Monte Carlo uncertainty algorithm provided uncertainties for the elastic strain tensor and stress tensor components.« less

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.

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

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

Grydlik, Martyna; Groiss, Heiko; Brehm, Moritz

2012-07-02

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

Fatigue damage evaluation of austenitic stainless steel using nonlinear ultrasonic waves in low cycle regime

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

Zhang, Jianfeng; Xuan, Fu-Zhen, E-mail: fzxuan@ecust.edu.cn

The interrupted low cycle fatigue test of austenitic stainless steel was conducted and the dislocation structure and fatigue damage was evaluated subsequently by using both transmission electron microscope and nonlinear ultrasonic wave techniques. A “mountain shape” correlation between the nonlinear acoustic parameter and the fatigue life fraction was achieved. This was ascribed to the generation and evolution of planar dislocation structure and nonplanar dislocation structure such as veins, walls, and cells. The “mountain shape” correlation was interpreted successfully by the combined contribution of dislocation monopole and dipole with an internal-stress dependent term of acoustic nonlinearity.

Modeling collective behavior of dislocations in crystalline materials

NASA Astrophysics Data System (ADS)

Varadhan, Satya N.

Elastic interaction of dislocations leads to collective behavior and determines plastic response at the mesoscale. Notable characteristics of mesoscale plasticity include the formation of dislocation patterns, propagative instability phenomena due to strain aging such as the Luders and Portevin-Le Chatelier effects, and size-dependence of low stress. This work presents a unified approach to modeling collective behavior based on mesoscale field dislocation mechanics and crystal plasticity, using constitutive models with physical basis. Successful application is made to: compression of a bicrystal, where "smaller is stronger"---the flow stress increases as the specimen size is reduced; torsional creep of ice single crystals, where the plastic strain rate increases with time under constant applied torque; strain aging in a single crystal alloy, where the transition from homogeneous deformation to intermittent bands to continuous band is captured as the applied deformation rate is increased. A part of this work deals with the kinematics of dislocation density evolution. An explicit Galerkin/least-squares formulation is introduced for the quasilinear evolution equation, which leads to a symmetric and well-conditioned system of equations with constant coefficients, making it attractive for large-scale problems. It is shown that the evolution equation simplifies to the Hamilton-Jacobi equations governing geometric optics and level set methods in the following physical contexts: annihilation of dislocations, expansion of a polygonal dislocation loop and operation of a Frank-Read source. The weak solutions to these equations are not unique, and the numerical method is able to capture solutions corresponding to shock as well as expansion fans.

Harnessing atomistic simulations to predict the rate at which dislocations overcome obstacles

NASA Astrophysics Data System (ADS)

Saroukhani, S.; Nguyen, L. D.; Leung, K. W. K.; Singh, C. V.; Warner, D. H.

2016-05-01

Predicting the rate at which dislocations overcome obstacles is key to understanding the microscopic features that govern the plastic flow of modern alloys. In this spirit, the current manuscript examines the rate at which an edge dislocation overcomes an obstacle in aluminum. Predictions were made using different popular variants of Harmonic Transition State Theory (HTST) and compared to those of direct Molecular Dynamics (MD) simulations. The HTST predictions were found to be grossly inaccurate due to the large entropy barrier associated with the dislocation-obstacle interaction. Considering the importance of finite temperature effects, the utility of the Finite Temperature String (FTS) method was then explored. While this approach was found capable of identifying a prominent reaction tube, it was not capable of computing the free energy profile along the tube. Lastly, the utility of the Transition Interface Sampling (TIS) approach was explored, which does not need a free energy profile and is known to be less reliant on the choice of reaction coordinate. The TIS approach was found capable of accurately predicting the rate, relative to direct MD simulations. This finding was utilized to examine the temperature and load dependence of the dislocation-obstacle interaction in a simple periodic cell configuration. An attractive rate prediction approach combining TST and simple continuum models is identified, and the strain rate sensitivity of individual dislocation obstacle interactions is predicted.

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.

Mechanical properties and crack growth behavior of polycrystalline copper using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Qiu, Ren-Zheng; Li, Chi-Chen; Fang, Te-Hua

2017-08-01

This study investigated the mechanical properties and crack propagation behavior of polycrystalline copper using a molecular dynamics simulation. The effects of temperature, grain size, and crack length were evaluated in terms of atomic trajectories, slip vectors, common neighbor analysis, the material’s stress-strain diagram and Young’s modulus. The simulation results show that the grain boundary of the material is more easily damaged at high temperatures and that grain boundaries will combine at the crack tip. From the stress-strain diagram, it was observed that the maximum stress increased as the temperature decreased. In contrast, the maximum stress was reduced by increasing the temperature. With regard to the effect of the grain size, when the grain size was too small, the structure of the sample deformed due to the effect of atomic interactions, which caused the grain boundary structure to be disordered in general. However, when the grain size was larger, dislocations appeared and began to move from the tip of the crack, which led to a new dislocation phenomenon. With regards to the effect of the crack length, the tip of the crack did not affect the sample’s material when the crack length was less than 5 nm. However, when the crack length was above 7.5 nm, the grain boundary was damaged, and twinning structures and dislocations appeared on both sides of the crack tip. This is because the tip of the crack was blunt at first before sharpening due to the dislocation effect.

Relaxation of the residual defect structure in deformed polycrystals under ultrasonic action

NASA Astrophysics Data System (ADS)

Murzaev, R. T.; Bachurin, D. V.; Nazarov, A. A.

2017-07-01

Using numerical computer simulation, the behavior of disordered dislocation systems under the action of monochromatic standing sound wave has been investigated in the grain of the model two-dimensional polycrystal containing nonequilibrium grain boundaries. It has been found that the presence of grain boundaries markedly affects the behavior of dislocations. The relaxation process and changes in the level of internal stresses caused by the rearrangement of the dislocation structure due to the ultrasonic action have been studied.

[A microstructural approach to fatigue crack processes in poly crystalline BCC materials]. Progress report

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

Gerberich, W.W.

1992-12-31

Objective was to study fatigue where a combination of low temperature and cyclic loading produced cyclic cleavage in bcc Fe-base systems. Both dislocation dynamics and quasi-statics of crack growth were probed. This document reviews progress over the past 6 years: hydrogen embrittlement and cleavage, computations (stress near crack tip), dislocation emission from grain boundaries, fracture process zones, and understanding brittle fracture at the atomistic/dislocation scales and at the microscopic/macroscopic scale.

Orientation influence on grain size-effects in ultrafine-grained magnesium

DOE PAGES

Fan, Haidong; Aubry, Sylvie; Arsenlis, A.; ...

2014-11-08

The mechanical behavior of ultrafine-grained magnesium was studied by discrete dislocation dynamics (DDD) simulations. Our results show basal slip yields a strong size effect, while prismatic and pyramidal slips produce a weak one. We developed a new size-strength model that considers dislocation transmission across grain boundaries. Good agreement between this model, current DDD simulations and previous experiments is observed. These results reveal that the grain size effect depends on 3 factors: Peierls stress, dislocation source strength and grain boundary strength.

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.

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

Understanding of surface pit formation mechanism of GaN grown in MOCVD based on local thermodynamic equilibrium assumption

NASA Astrophysics Data System (ADS)

Zhi-Yuan, Gao; Xiao-Wei, Xue; Jiang-Jiang, Li; Xun, Wang; Yan-Hui, Xing; Bi-Feng, Cui; De-Shu, Zou

2016-06-01

Frank’s theory describes that a screw dislocation will produce a pit on the surface, and has been evidenced in many material systems including GaN. However, the size of the pit calculated from the theory deviates significantly from experimental result. Through a careful observation of the variations of surface pits and local surface morphology with growing temperature and V/III ratio for c-plane GaN, we believe that Frank’s model is valid only in a small local surface area where thermodynamic equilibrium state can be assumed to stay the same. If the kinetic process is too vigorous or too slow to reach a balance, the local equilibrium range will be too small for the center and edge of the screw dislocation spiral to be kept in the same equilibrium state. When the curvature at the center of the dislocation core reaches the critical value 1/r 0, at the edge of the spiral, the accelerating rate of the curvature may not fall to zero, so the pit cannot reach a stationary shape and will keep enlarging under the control of minimization of surface energy to result in a large-sized surface pit. Project supported by the National Natural Science Foundation of China (Grant Nos. 11204009 and 61204011) and the Beijing Municipal Natural Science Foundation, China (Grant No. 4142005).

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

NASA Astrophysics Data System (ADS)

Samolyuk, G. D.; Osetsky, Y. N.; Stoller, R. E.

2013-01-01

Several transition metals were examined to evaluate their potential for improving the ductility of tungsten. The dislocation core structure and Peierls stress and barrier of 1/2<111> screw dislocations in binary tungsten-transition metal alloys (W1-xTMx) were investigated using density functional theory calculations. The periodic quadrupole approach was applied to model the structure of the 1/2<111> dislocation. Alloying with transition metals was modeled using the virtual crystal approximation and the applicability of this approach was assessed by calculating the equilibrium lattice parameter and elastic constants of the tungsten alloys. Reasonable agreement was obtained with experimental data and with results obtained from the conventional supercell approach. Increasing the concentration of a transition metal from the VIIIA group, i.e. the elements in columns headed by Fe, Co and Ni, leads to reduction of the C‧ elastic constant and increase of the elastic anisotropy A = C44/C‧. Alloying W with a group VIIIA transition metal changes the structure of the dislocation core from symmetric to asymmetric, similarly to results obtained for W1-xRex alloys in the earlier work of Romaner et al (2010 Phys. Rev. Lett. 104 195503). In addition to a change in the core symmetry, the values of the Peierls stress and barrier are reduced. The latter effect could lead to increased ductility in a tungsten-based alloy. Our results demonstrate that alloying with any of the transition metals from the VIIIA group should have a similar effect to alloying with Re.

A thermally activated dislocation-based constitutive flow model of nanostructured FCC metals involving microstructural evolution

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Li, J.; Wu, K.; Liu, G.; Sun, J.

2017-03-01

Due to their interface and nanoscale effects associated with structural peculiarities of nanostructured, face-centered-cubic (FCC) ultrafine-grained/nanocrystalline (UFG/NC) metals, in particular nanotwinned (NT) metals exhibit unexpected deformation behaviours fundamentally different from their coarse-grained (CG) counterparts. These internal boundaries, including grain boundaries and twin boundaries in UFG/NC metals, strongly interact with dislocations as deformation barriers to enhance the strength and strain rate sensitivity (SRS) of materials on the one hand, and play critical roles in their microstructural evolution as dislocation sources/sinks to sustain plastic deformation on the other. In this work, building on the findings of twin softening and (de)twinning-mediated grain growth/refinement in stretched free-standing NT-Ni foils, a constitutive model based on the thermally activated depinning process of dislocations residing in boundaries has been proposed to predict the steady-state grain size and simulate the plastic flow of NT-Ni, by considering the blocking effects of nanotwins on the absorption of dislocations emitted from boundaries. It is uncovered that the stress ratio (ηstress) of effective-to-internal stress can be taken as a signature to estimate the stability of microstructures during plastic deformation. This model not only reproduces well the plastic flow of the stretched NT-Ni foils as well as reported NT-Cu and the steady-state grain size, but also sheds light on the size-dependent SRS and failure of FCC UFG/NC metals. This theoretical framework offers the opportunity to tune the microstructures in the polycrystalline materials to synthesise high performance engineering materials with high strength and great ductility.

Stress in (Al, Ga)N heterostructures grown on 6H-SiC and Si substrates byplasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Koshelev, O. A.; Nechaev, D. V.; Sitnikova, A. A.; Ratnikov, V. V.; Ivanov, S. V.; Jmerik, V. N.

2017-11-01

The paper describes experimental results on low temperature plasma-assisted molecular beam epitaxy of GaN/AlN heterostructures on both 6H-SiC and Si(111) substrates. We demonstrate that application of migration enhanced epitaxy and metal-modulated epitaxy for growth of AlN nucleation and buffer layers lowers the screw and edge(total)threading dislocation (TD) densities down to 1.7·108 and 2·109 cm-2, respectively, in a 2.8-μm-thick GaN buffer layer grown atop of AlN/6H-SiC. The screw and total TD densities of 1.2·109 and 7.4·109 cm-2, respectively, were achieved in a 1-μm-thickGaN/AlNheterostructure on Si(111). Stress generation and relaxation in GaN/AlN heterostructures were investigated by using multi-beam optical stress sensor (MOSS) to achieve zero substrate curvature at room temperature. It is demonstrated that a 1-μm-thick GaN/AlN buffer layer grown by PA MBE provides planar substrate morphology in the case of growth on Si substrates whereas 5-μm-thick GaN buffer layers have to be used to achieve the same when growing on 6H-SiC substrates.

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.

The influence of AlN interlayers on the microstructural and electrical properties of p-type AlGaN/GaN superlattices grown on GaN/sapphire templates

NASA Astrophysics Data System (ADS)

Li, Lei; Liu, Lei; Wang, Lei; Li, Ding; Song, Jie; Liu, Ningyang; Chen, Weihua; Wang, Yuzhou; Yang, Zhijian; Hu, Xiaodong

2012-09-01

AlN with different thicknesses were grown as interlayers (ILs) between GaN and p-type Al0.15Ga0.85N/GaN superlattices (SLs) by metal organic vapor phase epitaxy (MOVPE). It was found that the edge-type threading dislocation density (TDD) increased gradually from the minimum of 2.5×109 cm-2 without AlN IL to the maximum of 1×1010 cm-2 at an AlN thickness of 20 nm, while the screw-type TDD remained almost unchanged due to the interface-related TD suppression and regeneration mechanism. We obtained that the edge-type dislocations acted as acceptors in p-type Al x Ga1- x N/GaN SLs, through the comparison of the edge-type TDD and hole concentration with different thicknesses of AlN IL. The Mg activation energy was significantly decreased from 153 to 70 meV with a 10-nm AlN IL, which was attributed to the strain modulation between AlGaN barrier and GaN well. The large activation efficiency, together with the TDs, led to the enhanced hole concentration. The variation trend of Hall mobility was also observed, which originated from the scattering at TDs.

Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

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

Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.

2014-12-18

We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Furthermore, using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Thus, our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior.

Size and Crystallographic Orientation Effects on the Mechanical Behavior of 4H-SiC Micro-/nano-pillars

NASA Astrophysics Data System (ADS)

Guo, Xiaolei; Guo, Qiang; Li, Zhiqiang; Fan, Genlian; Xiong, Ding-Bang; Su, Yishi; Zhang, Jie; Tan, Zhanqiu; Guo, Cuiping; Zhang, Di

2018-02-01

Single crystalline 4H-SiC micro-/nano-pillars of various sizes and different crystallographic orientations were fabricated and tested by uniaxial compression. The pillars with zero shear stress resolved on the basal slip system were found to fracture in a brittle manner without showing significant size dependence, while the pillars with non-zero resolved shear stress showed a "smaller is stronger" behavior and a jerky plastic flow. These observations were interpreted by homogeneous dislocation nucleation and dislocation glide on the basal plane.

Modeling of flow stress size effect based on variation of dislocation substructure in micro-tension of pure nickel

NASA Astrophysics Data System (ADS)

Wang, Chuanjie; Liu, Huan; Zhang, Ying; Chen, Gang; Li, Yujie; Zhang, Peng

2017-12-01

Micro-forming is one promising technology for manufacturing micro metal parts. However, the traditional metal-forming theories fail to analyze the plastic deformation behavior in micro-scale due to the size effect arising from the part geometry scaling down from macro-scale to micro-scale. To reveal the mechanism of plastic deformation behavior size effect in micro-scale, the geometrical parameters and the induced variation of microstructure by them need to be integrated in the developed constitutive models considering the free surface effect. In this research, the variations of dislocation cell diameter with original grain size, strain and location (surface grain or inner grain) are derived according the previous research data. Then the overall flow stress of the micro specimen is determined by employing the surface layer model and the relationship between dislocation cell diameter and the flow stress. This new developed constitutive model considers the original grain size, geometrical dimension and strain simultaneously. The flow stresses in micro-tensile tests of thin sheets are compared with calculated results using the developed constitutive model. The calculated and experimental results match well. Thus the validity of the developed constitutive model is verified.

A phenomenological creep model for nickel-base single crystal superalloys at intermediate temperatures

NASA Astrophysics Data System (ADS)

Gao, Siwen; Wollgramm, Philip; Eggeler, Gunther; Ma, Anxin; Schreuer, Jürgen; Hartmaier, Alexander

2018-07-01

For the purpose of good reproduction and prediction of creep deformation of nickel-base single crystal superalloys at intermediate temperatures, a phenomenological creep model is developed, which accounts for the typical γ/γ‧ microstructure and the individual thermally activated elementary deformation processes in different phases. The internal stresses from γ/γ‧ lattice mismatch and deformation heterogeneity are introduced through an efficient method. The strain hardening, the Orowan stress, the softening effect due to dislocation climb along γ/γ‧ interfaces and the formation of < 112> dislocation ribbons, and the Kear–Wilsdorf-lock effect as key factors in the main flow rules are formulated properly. By taking the cube slip in < 110> \\{100\\} slip systems and < 112> \\{111\\} twinning mechanisms into account, the creep behavior for [110] and [111] loading directions are well captured. Without specific interaction and evolution of dislocations, the simulations of this model achieve a good agreement with experimental creep results and reproduce temperature, stress and crystallographic orientation dependences. It can also be used as the constitutive relation at material points in finite element calculations with complex boundary conditions in various components of superalloys to predict creep behavior and local stress distributions.

Scale-free avalanche dynamics in crystal plasticity

NASA Astrophysics Data System (ADS)

Ispanovity, Pater Dusan; Laurson, Lasse; Zaiser, Michael; Zapperi, Stefano; Groma, Istvan; Alava, Mikko

2015-03-01

We investigate the properties of strain bursts (dislocation avalanches) occurring during plastic deformation of crystalline matter using two dimensional discrete dislocation dynamics (DDD). We perform quasistatic stress-controlled simulations with three DDD models differing in the spatiotemporal discretization and the mobility law assumed for individual dislocations. We find that each model exhibits identical avalanche dynamics with the following properties: (i) strain burst sizes follow a power law distribution characterized by an exponent τ ~ 1 . 0 and (ii) the distribution in truncated at a cutoff that diverges with increasing system size at any applied stress level. It has been proposed earlier that plastic yielding can be described in terms of a continuous phase transition of depinning type and its critical point is at the yield stress. We will demonstrate, however, that our results are inconsistent with cutoff scaling in depinning systems (like magnetic domain walls or earthquakes) and that the system behaves as critical at every stress level. We, therefore, conclude that in the models studied plastic yielding cannot be associated with a continuous phase transition. Financial supports of the Hungarian Scientific Research Fund (OTKA) under Contract Numbers PD-105256 and K-105335 and of the European Commission under Grant Agreement No. CIG-321842 are acknowledged.

Phyllotactic transformations as plastic deformations of tubular crystals with defects

NASA Astrophysics Data System (ADS)

Beller, Daniel; Nelson, David

Tubular crystals are 2D lattices in cylindrical topologies, which could be realized as assemblies of colloidal particles, and occur naturally in biological microtubules and in single-walled carbon nanotubes. Their geometry can be understood in the language of phyllotaxis borrowed from botany. We study the mechanics of plastic deformations in tubular crystals in response to tensile stress, as mediated by the formation and separation of dislocation pairs in a triangular lattice. Dislocation motion allows the growth of one phyllotactic arrangement at the expense of another, offering a low-energy, stepwise mode of plastic deformation in response to external stresses. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, dislocation glide. The crystal's bending modulus is found to produce simple but important corrections to the tube's deformation mechanics.

Single versus successive pop-in modes in nanoindentation tests of single crystals

DOE PAGES

Xia, Yuzhi; Gao, Yanfei; Pharr, George M.; ...

2016-05-24

From recent nanoindentation experiments, two types of pop-in modes have been identified: a single pop-in with a large displacement excursion, or a number of pop-ins with comparable and small displacement excursions. Theoretical analyses are developed here to study the roles played by indenter tip radius, pre-existing defect density, heterogeneous nucleation source type, and lattice resistance on the pop-in modes. The evolution of dislocation structures in earlier pop-ins provides input to modeling a stochastic, heterogeneous mechanism that may be responsible for the subsequent pop-ins. It is found that when the first pop-in occurs near theoretical shear stress, the pop-in mode ismore » determined by the lattice resistance and tip radius. When the first pop-in occurs at low shear stress, whether the successive pop-in mode occurs depends on how the heterogeneous dislocation nucleation source density increases as compared to the increase of the total dislocation density. Lastly, the above transitions are found to correlate well with the ratio of indenter tip radius to the mean spacing of dislocation nucleation sources.« less

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

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

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

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

1993-09-01

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

Dislocation-induced nanoparticle decoration on a GaN nanowire.

PubMed

Yang, Bing; Yuan, Fang; Liu, Qingyun; Huang, Nan; Qiu, Jianhang; Staedler, Thorsten; Liu, Baodan; Jiang, Xin

2015-02-04

GaN nanowires with homoepitaxial decorated GaN nanoparticles on their surface along the radial direction have been synthesized by means of a chemical vapor deposition method. The growth of GaN nanowires is catalyzed by Au particles via the vapor-liquid-solid (VLS) mechanism. Screw dislocations are generated along the radial direction of the nanowires under slight Zn doping. In contrast to the metal-catalyst-assisted VLS growth, GaN nanoparticles are found to prefer to nucleate and grow at these dislocation sites. High-resolution transmission electron microscopy (HRTEM) analysis demonstrates that the GaN nanoparticles possess two types of epitaxial orientation with respect to the corresponding GaN nanowire: (I) [1̅21̅0]np//[1̅21̅0]nw, (0001)np//(0001)nw; (II) [1̅21̅3]np//[12̅10]nw, (101̅0)np//(101̅0)nw. An increased Ga signal in the energy-dispersive spectroscopy (EDS) profile lines of the nanowires suggests GaN nanoparticle growth at the edge surface of the wires. All the crystallographic results confirm the importance of the dislocations with respect to the homoepitaxial growth of the GaN nanoparticles. Here, screw dislocations situated on the (0001) plane provide the self-step source to enable nucleation of the GaN nanoparticles.

Distributional and regularized radiation fields of non-uniformly moving straight dislocations, and elastodynamic Tamm problem

NASA Astrophysics Data System (ADS)

Lazar, Markus; Pellegrini, Yves-Patrick

2016-11-01

This work introduces original explicit solutions for the elastic fields radiated by non-uniformly moving, straight, screw or edge dislocations in an isotropic medium, in the form of time-integral representations in which acceleration-dependent contributions are explicitly separated out. These solutions are obtained by applying an isotropic regularization procedure to distributional expressions of the elastodynamic fields built on the Green tensor of the Navier equation. The obtained regularized field expressions are singularity-free, and depend on the dislocation density rather than on the plastic eigenstrain. They cover non-uniform motion at arbitrary speeds, including faster-than-wave ones. A numerical method of computation is discussed, that rests on discretizing motion along an arbitrary path in the plane transverse to the dislocation, into a succession of time intervals of constant velocity vector over which time-integrated contributions can be obtained in closed form. As a simple illustration, it is applied to the elastodynamic equivalent of the Tamm problem, where fields induced by a dislocation accelerated from rest beyond the longitudinal wave speed, and thereafter put to rest again, are computed. As expected, the proposed expressions produce Mach cones, the dynamic build-up and decay of which is illustrated by means of full-field calculations.

Fractal nature of aluminum alloys substructures under creep and its implications

NASA Astrophysics Data System (ADS)

Fernández, R.; Bruno, G.; González-Doncel, G.

2018-04-01

The present work offers an explanation for the variation of the power-law stress exponent, n, with the stress σ normalized to the shear modulus G in aluminum alloys. The approach is based on the assumption that the dislocation structure generated with deformation has a fractal nature. It fully explains the evolution of n with σ/G even beyond the so-called power law breakdown region. Creep data from commercially pure Al99.8%, Al-3.85%Mg, and ingot AA6061 alloy tested at different temperatures and stresses are used to validate the proposed ideas. Finally, it is also shown that the fractal description of the dislocation structure agrees well with current knowledge.

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.

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.

Investigation of stress relaxation mechanisms for ductility improvement in SS316L

NASA Astrophysics Data System (ADS)

Varma, Anand; Gokhale, Aditya; Jain, Jayant; Hariharan, Krishnaswamy; Cizek, Pavel; Barnett, Matthew

2018-01-01

Stress relaxation during plastic deformation has been reported to improve ductility and alter the mechanical properties of metallic materials. The aim of the present study is to investigate the role of various mechanisms responsible for this in stainless steel SS 316L. The fractography of the tested samples is analysed using an image analyser and the void fraction at failure is correlated with the corresponding mechanisms. The parametric studies on stress relaxation at different pre-strain and relaxation time correlate well with the fractography results supporting the proposed mechanisms. TEM investigation of dislocation structures and void characterisation further confirm the role of dislocation annihilation. Moreover, a novel indentation technique combining micro- and nano-indentation techniques is used to verify the role of stress homogenisation mechanism.

Microstructural Characteristics of Deformed Quartz Under Non-Steady-State Conditions

NASA Astrophysics Data System (ADS)

Soleymani, Hamid; Kidder, Steven B.; Hirth, Greg

2017-12-01

Analysis of rock deformation experiments can be used to better inform studies of the stress history of geologic fault zones. While it is thought that many geological processes are slow enough to reach steady-state, however, the impact of non-steady-state conditions can be significant. For instance it is thought that most rocks experience a gradual increase in stress as they approach the brittle-ductile transition during exhumation, however experiments simulating a gradual stress increase during dislocation creep were not previously carried out. Similarly, while numerical models of earthquakes on major plate boundary fault zones indicate temporarily elevated differential stress and strain-rates below the fault edge in the ductile crust/upper-mantle, few experimental studies have explored the effects of such episodic stress and strain-rates on microstructural evolution. We carried out general-shear and axial compression Griggs rig experiments on Black Hills quartzite (grain size ≈ 100 µm) and synthesized quartz aggregates (grain size ≈ 20 µm) both annealed at 900 °C and confining pressure of 1GPa. The first series of experiments was designed to simulate the stress history of rapidly exhumed rocks. Stress was increased during the experiments by gradually decreasing the temperature from 900 °C to 800 °C at various constant displacement rates. The second series of experiments explores the microstructural and rheological characteristics of quartz deformed to strains of γ ≈ 4 via alternating fast strain rate ( ≈ 1 × 10-3 sec-1 ) and relaxation intervals. Preliminarily mechanical data suggest that our techniques successfully simulate exhumation stress paths and episodic stress pulses. Detailed microstructural analysis of the experimental samples and comparisons to natural samples will be presented to explore the degree to which non-steady-state behavior may be recorded in exhumed rocks.

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.

Avulsion fracture of an ossified pes anserinus tendon post-lateral patellar dislocation.

PubMed

Albtoush, Omar M; Taib, Abtehag A; Horger, Marius; Springer, Fabian

2018-05-01

The pes anserinus is a common tendon comprising the tendinous insertions of the sartorius, gracilis, and semitendinosus muscles. It inserts at the anteromedial aspect of the tibia and plays a significant role in stabilization of the medial side of the knee joint. The current article presents a case with recurrent lateral patellar dislocations causing chronic stress along the medial knee stabilizers and consecutive enthesophyte formation at the insertion of the pes anserinus tendon that showed a transverse fracture upon a subsequent incident of traumatic lateral patellar dislocation. Avulsion injuries of the pes anserinus tendon are rarely encountered, and to our knowledge, association with recurrent lateral patellar dislocations has not been described before.

Consideration of the oxide particle-dislocation interaction in 9Cr-ODS steel

NASA Astrophysics Data System (ADS)

Ijiri, Yuta; Oono, N.; Ukai, S.; Yu, Hao; Ohtsuka, S.; Abe, Y.; Matsukawa, Y.

2017-05-01

The interaction between oxide particles and dislocations in a 9Cr-ODS ferritic steel is investigated by both static and in situ TEM observation under dynamic straining conditions and room temperature. The measured obstacle strength (?) of the oxide particles was no greater than 0.80 and the average was 0.63. The dislocation loops around some coarsened particles were also observed. The calculated obstacle strength by a stress formula of the Orowan interaction is nearly equaled to the average experimental value. Not only cross-slip system but also the Orowan interaction should be considered as the main interaction mechanism between oxide particles and dislocation in 9CrODS ferritic steel.

Reversal in the Size Dependence of Grain Rotation

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

Zhou, Xiaoling; Tamura, Nobumichi; Mi, Zhongying

The conventional belief, based on the Read-Shockley model for the grain rotation mechanism, has been that smaller grains rotate more under stress due to the motion of grain boundary dislocations. However, in our high-pressure synchrotron Laue x-ray microdiffraction experiments, 70 nm nickel particles are found to rotate more than any other grain size. We infer that the reversal in the size dependence of the grain rotation arises from the crossover between the grain boundary dislocation-mediated and grain interior dislocation-mediated deformation mechanisms. The dislocation activities in the grain interiors are evidenced by the deformation texture of nickel nanocrystals. This new findingmore » reshapes our view on the mechanism of grain rotation and helps us to better understand the plastic deformation of nanomaterials, particularly of the competing effects of grain boundary and grain interior dislocations.« less

Peculiarities of dislocation motion in aluminum with allowance for the Peierls relief in the presence of ultrasound

NASA Astrophysics Data System (ADS)

Arakelyan, M. M.

2017-11-01

The effect of ultrasound on motion of the Frenkel-Kontorova dislocations in aluminum has been studied with inclusion of the Peierls relief. A dislocation moves at a variable rate when overcoming the Peierls barrier. The dislocation mean free path is changed under action of ultrasound at various frequencies comparable to the dislocation transition time to a neighboring valley. The stress-strain dependences have been obtained for high and low strain rates. In both the cases, a disordering takes place; however, the disordering rates and characters are different. At the resonance frequency, the strain resistance decreases, the hardening stage is shortened and the disordering stage is elongated. The dependence of the coefficient of hardening on coordinate has three segments different in characters. The coefficient of hardening decreases at the resonance frequency.

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

Reversal in the Size Dependence of Grain Rotation

DOE PAGES

Zhou, Xiaoling; Tamura, Nobumichi; Mi, Zhongying; ...

2017-03-01

The conventional belief, based on the Read-Shockley model for the grain rotation mechanism, has been that smaller grains rotate more under stress due to the motion of grain boundary dislocations. However, in our high-pressure synchrotron Laue x-ray microdiffraction experiments, 70 nm nickel particles are found to rotate more than any other grain size. We infer that the reversal in the size dependence of the grain rotation arises from the crossover between the grain boundary dislocation-mediated and grain interior dislocation-mediated deformation mechanisms. The dislocation activities in the grain interiors are evidenced by the deformation texture of nickel nanocrystals. This new findingmore » reshapes our view on the mechanism of grain rotation and helps us to better understand the plastic deformation of nanomaterials, particularly of the competing effects of grain boundary and grain interior dislocations.« 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

High Strain Rate Deformation Mechanisms of Body Centered Cubic Material Subjected to Impact Loading

NASA Astrophysics Data System (ADS)

Visser, William

Low carbon steel is the most common grade of structural steel used; it has carbon content of 0.05% to 0.25% and very low content of alloying elements. It is produced in great quantities and provides material properties that are acceptable for many engineering applications, particularly in the construction industry in which low carbon steel is widely used as the strengthening phase in civil structures. The overall goal of this dissertation was to investigate the deformation response of A572 grade 50 steel when subjected to impact loading. This steel has a 0.23% by weight carbon content and has less than 2% additional alloying elements. The deformation mechanisms of this steel under shock loading conditions include both dislocation motion and twin formation. The goal of this work was achieved by performing experimental, analytical and numerical research in three integrated tasks. The first is to determine the relationship between the evolution of deformation twins and the impact pressure. Secondly, a stress criterion for twin nucleation during high strain rate loading was developed which can account for the strain history or initial dislocation density. Lastly, a method was applied for separating the effects of dislocations and twins generated by shock loading in order to determine their role in controlling the flow stress of the material. In this regard, the contents of this work have been categorically organized. First, the active mechanisms in body centered cubic (BCC) low carbon steel during shock loading have been determined as being a composed of the competing mechanisms of dislocations and deformation twins. This has been determined through a series of shock loading tests of the as-received steel. The shock loading tests were done by plate impact experiments at several impact pressures ranging from 2GPa up to 13GPa using a single stage light gas gun. A relationship between twin volume fraction and impact pressure was determined and an analytical model was utilized to simulate the shock loading and twin evolution for these loading conditions. The second part of this research ties into the modeling efforts. Within the model for predicting twin volume fraction is a twin growth equation and a constant describing the stress at which the twin nucleation will occur. By using a constant value for the twin nucleation stress modeling efforts fail to accurately predict the growth and final twin volume fraction. A second shock loading experimental study combined with high strain rate compression tests using a split Hopkinson pressure bar were completed to determine a twin nucleation stress equation as a function of dislocation density. Steel specimens were subjected to cold rolling to 3% strain and subsequently impacted using the gas gun at different pressures. The increase in dislocation density due to pre-straining substantially increased the twin nucleation stress indicating that twin nucleation stress in dependent upon prior strain history. This has been explained in terms of the velocity and generation rates of both perfect and partial dislocations. An explicit form of the critical twin nucleation stress was developed and parameters were determined through plate impact tests and low temperature (77K) SHPB compression tests. The final component in studying deformation twin mechanisms in BCC steel extends the research to the post-impact mechanical properties and how the twin volume fraction affects the dynamic flow stress. Compression tests between 293K and 923K at an average strain rate of 4700 s-1 were completed on the as-received and 3% pre-strained steels in both the initial condition and after being impacted at pressures of 6GPa and 11GPa. Results of the experimental testing were used in a thermal activation model in order to distinguish separate components in the microstructure contributing to the enhanced flow stress caused by the shock loading. It has been shown that the dislocations generated from shock loading are equivalent to those produced under lower rate straining and the addition of deformation twins in the microstructure contribute to the athermal stress by adding to the long range barriers.

Non-Singular Dislocation Elastic Fields and Linear Elastic Fracture Mechanics

NASA Astrophysics Data System (ADS)

Korsunsky, Alexander M.

2010-03-01

One of the hallmarks of the traditional linear elastic fracture mechanics (LEFM) is the presence of an (integrable) inverse square root singularity of strains and stresses in the vicinity of the crack tip. It is the presence of this singularity that necessitates the introduction of the concepts of stress intensity factor (and its critical value, the fracture toughness) and the energy release rate (and material toughness). This gives rise to the Griffith theory of strength that includes, apart from applied stresses, the considerations of defect size and geometry. A highly successful framework for the solution of crack problems, particularly in the two-dimensional case, due to Muskhelishvili (1953), Bilby and Eshelby (1968) and others, relies on the mathematical concept of dislocation. Special analytical and numerical methods of dealing with the characteristic 1/r (Cauchy) singularity occupy a prominent place within this theory. Recently, in a different context of dislocation dynamics simulations, Cai et al. (2006) proposed a novel means of removing the singularity associated with the dislocation core, by introducing a blunting radius parameter a into the expressions for elastic fields. Here, using the example of two-dimensional elasticity, we demonstrate how the adoption of the similar mathematically expedient tool leads naturally to a non-singular formulation of fracture mechanics problems. This opens an efficient means of treating a variety of crack problems.

Computational study of dislocation based mechanisms in FCC materials

NASA Astrophysics Data System (ADS)

Yellakara, Ranga Nikhil

Understanding the relationships between microstructures and properties of materials is a key to developing new materials with more suitable qualities or employing the appropriate materials in special uses. In the present world of material research, the main focus is on microstructural control to cost-effectively enhance properties and meet performance specifications. This present work is directed towards improving the fundamental understanding of the microscale deformation mechanisms and mechanical behavior of metallic alloys, particularly focusing on face centered cubic (FCC) structured metals through a unique computational methodology called three-dimensional dislocation dynamics (3D-DD). In these simulations, the equations of motion for dislocations are mathematically solved to determine the evolution and interaction of dislocations. Microstructure details and stress-strain curves are a direct observation in the simulation and can be used to validate experimental results. The effect of initial dislocation microstructure on the yield strength has been studied. It has been shown that dislocation density based crystal plasticity formulations only work when dislocation densities/numbers are sufficiently large so that a statistically accurate description of the microstructure can be obtainable. The evolution of the flow stress for grain sizes ranging from 0.5 to 10 mum under uniaxial tension was simulated using an improvised model by integrating dislocation pile-up mechanism at grain boundaries has been performed. This study showed that for a same initial dislocation density, the Hall--Petch relationship holds well at small grain sizes (0.5--2 mum), beyond which the yield strength remains constant as the grain size increases. Various dislocation-particle interaction mechanisms have been introduced and investigations were made on their effect on the uniaxial tensile properties. These studies suggested that increase in particle volume fraction and decrease in particle size has contributed to the strength of these alloys. This work has been successful of capturing complex dislocation mechanisms that involves interactions with particles during the deformation of particle hardened FCC alloys. Finally, the DD model has been extended into studying the cyclic behavior of FCC metallic alloys. This study showed that the strength as well as the cyclic hardening increases due to grain refinement and increase in particle volume fraction. It also showed that the cyclic deformation of ultra-fine grained (UFG) material have undergone cyclic softening at all plastic strain amplitudes. The results provided very useful quantitative information for developing future fatigue models.

Strength evaluation of butt joint by stress intensity factor of small edge crack near interface edge

NASA Astrophysics Data System (ADS)

Sato, T.; Oda, K.; Tsutsumi, N.

2018-06-01

Failure of the bonded dissimilar materials generally initiates near the interface, or just from the interface edge due to the stress singularity at the interface edge. In this study, the stress intensity factor of an edge crack close to the interface between the dissimilar materials is analyzed. The small edge crack is strongly dominated by the singular stress field near the interface edge. The analysis of stress intensity factor of small edge crack near the interface in bi-material and butt joint plates is carried out by changing the length and the location of the crack and the region dominated by the interface edge is examined. It is found that the dimensionless stress intensity factor of small crack, normalized by the singular stress at the crack tip point in the bonded plate without the crack, is equal to 1.12, independent of the material combination and adhesive layer thickness, when the relative crack length with respect to the crack location is less than 0.01. The adhesive strength of the bonded plate with various adhesive layer thicknesses can be expressed as the constant critical stress intensity factor of the small edge crack.

[Effects of water stress on red-edge parameters and yield in wheat cropping].

PubMed

He, Ke-Xun; Zaho, Shu-He; Lai, Jian-Bin; Luo, Yun-Xiao; Qin, Zhi-Hao

2013-08-01

The objective of the present paper is to study the influence of water stress on wheat spectrum red edge parameters by using field wheat spectrum data obtained from water stress experiment. Firstly, the authors analyzed the influence of water stress on wheat spectrum reflectance. Then the authors got the wheat red edge position and red edge peak through calculating wheat spectrum first-order differential and analyzed the influence of water stress on wheat red edge parameters. Finally the authors discussed the relationship between red peak and wheat yield. The results showed that the wheat red edge position shows "red shift" at the beginning of the wheat growth period and "blue shift" at the later period of the wheat growth period under the water stress experiment. Also, the red edge peak of the wheat showed that red edge peak increased with the water stress sharpening at the beginning of the wheat growth period, and then the red edge peak reduced with the water stress sharpening. The wheat red edge peak presented positive correlation with the wheat yield before the elongation period, and exhibited negative correlation after that period.

Disruption of crystalline structure of Sn3.5Ag induced by electric current

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

Huang, Han-Chie; Lin, Kwang-Lung, E-mail: matkllin@mail.ncku.edu.tw; Wu, Albert T.

2016-03-21

This study presented the disruption of the Sn and Ag{sub 3}Sn lattice structures of Sn3.5Ag solder induced by electric current at 5–7 × 10{sup 3} A/cm{sup 2} with a high resolution transmission electron microscope investigation and electron diffraction analysis. The electric current stressing induced a high degree of strain on the alloy, as estimated from the X-ray diffraction (XRD) peak shift of the current stressed specimen. The XRD peak intensity of the Sn matrix and the Ag{sub 3}Sn intermetallic compound diminished to nearly undetectable after 2 h of current stressing. The electric current stressing gave rise to a high dislocation density ofmore » up to 10{sup 17}/m{sup 2}. The grain morphology of the Sn matrix became invisible after prolonged current stressing as a result of the coalescence of dislocations.« less

Lateral patellar dislocation: mechanism of disease, radiographic presentation, and management.

PubMed

Abramov, Michael; Stock, Harlan

2013-04-01

Lateral patellar dislocation is a common injury occurring in young active adults. The mechanism is that of twisting injury to the knee on a planted foot with valgus stress. Several predisposing factors, including femoral trochlear dysplasia, patella alta, and lateralization of the tibial tuberosity, contribute to patellar instability and lateral patellar dislocation. Magnetic resonance (MR) imaging of the knee is the modality of choice to evaluate underlying bone contusion patterns, associated soft-tissue injuries, and additional complex ligamentous and osteochondral injuries, many of which are not apparent on conventional radiographs.

The Weighted Burgers Vector: a new quantity for constraining dislocation densities and types using electron backscatter diffraction on 2D sections through crystalline materials.

PubMed

Wheeler, J; Mariani, E; Piazolo, S; Prior, D J; Trimby, P; Drury, M R

2009-03-01

The Weighted Burgers Vector (WBV) is defined here as the sum, over all types of dislocations, of [(density of intersections of dislocation lines with a map) x (Burgers vector)]. Here we show that it can be calculated, for any crystal system, solely from orientation gradients in a map view, unlike the full dislocation density tensor, which requires gradients in the third dimension. No assumption is made about gradients in the third dimension and they may be non-zero. The only assumption involved is that elastic strains are small so the lattice distortion is entirely due to dislocations. Orientation gradients can be estimated from gridded orientation measurements obtained by EBSD mapping, so the WBV can be calculated as a vector field on an EBSD map. The magnitude of the WBV gives a lower bound on the magnitude of the dislocation density tensor when that magnitude is defined in a coordinate invariant way. The direction of the WBV can constrain the types of Burgers vectors of geometrically necessary dislocations present in the microstructure, most clearly when it is broken down in terms of lattice vectors. The WBV has three advantages over other measures of local lattice distortion: it is a vector and hence carries more information than a scalar quantity, it has an explicit mathematical link to the individual Burgers vectors of dislocations and, since it is derived via tensor calculus, it is not dependent on the map coordinate system. If a sub-grain wall is included in the WBV calculation, the magnitude of the WBV becomes dependent on the step size but its direction still carries information on the Burgers vectors in the wall. The net Burgers vector content of dislocations intersecting an area of a map can be simply calculated by an integration round the edge of that area, a method which is fast and complements point-by-point WBV calculations.

Mechanical properties and microstructures of Al-Cu Thin films with various heat treatments

NASA Astrophysics Data System (ADS)

Joo, Young-Chang

1998-10-01

The relationship between microstructure and mechanical properties has been investigated in Al-Cu thin films. The Cu content in Al-Cu samples used in this study ranges from 0 to 2 wt.% and substrate curvature measurement was used to measure film stress. In thin films, the constraints on the film by the substrate influence the microstructure and mechanical properties. Al-Cu thin films cooled from high temperatures have a large density of dislocations due to the plastic deformation caused by the thermal mismatch between the film and substrate. The high density of dislocations in the thin film enables precipitates to form inside the grain even during a very rapid quenching. The presence of a large density of dislocations and precipitates will in turn cause precipitation hardening of the Al-Cu films. The precipitation hardening is dominant at lower temperatures, and solid solution hardening is observed at higher temperatures in the tensile regime. Pure Al films showed the same values of tensile and compressive yield stresses at a given temperature during stress-temperature cycling.

Comparative study on hydrostatic strain, stress and dislocation density of Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure before and after a-Si{sub 3}N{sub 4} passivation

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

Dinara, Syed Mukulika, E-mail: smdinara.iit@gmail.com; Jana, Sanjay Kr.; Mukhopadhyay, Partha

2015-08-28

The hydrostatic strain, stress and dislocation densities were comparatively analyzed before and after passivation of amorphous silicon nitride (a-Si{sub 3}N{sub 4}) layer on Al{sub 0.3}Ga{sub 0.7}N/GaN heterostructure by nondestructive high resolution x-ray diffraction (HRXRD) technique. The crystalline quality, in-plane and out-of plane strain were evaluated from triple-axis (TA) (ω-2θ) diffraction profile across the (002) reflection plane and double-axis (DA) (ω-2θ) glancing incidence (GI) diffraction profile across (105) reflection plane. The hydrostatic strain and stress of Al{sub 0.3}Ga{sub 0.7}N barrier layer were increased significantly after passivation and both are tensile in nature. The dislocation density of GaN was also analyzed andmore » no significant change was observed after passivation of the heterostructure. The crystalline quality was not degraded after passivation on the heterostructure confirmed by the full-width-half-maximum (FWHM) analysis.« less

Time and Temperature Dependence of Viscoelastic Stress Relaxation in Gold and Gold Alloy Thin Films

NASA Astrophysics Data System (ADS)

Mongkolsuttirat, Kittisun

Radio frequency (RF) switches based on capacitive MicroElectroMechanical System (MEMS) devices have been proposed as replacements for traditional solid-state field effect transistor (FET) devices. However, one of the limitations of the existing capacitive switch designs is long-term reliability. Failure is generally attributed to electrical charging in the capacitor's dielectric layer that creates an attractive electrostatic force between a moving upper capacitor plate (a metal membrane) and the dielectric. This acts as an attractive stiction force between them that may cause the switch to stay permanently in the closed state. The force that is responsible for opening the switch is the elastic restoring force due to stress in the film membrane. If the restoring force decreases over time due to stress relaxation, the tendency for stiction failure behavior will increase. Au films have been shown to exhibit stress relaxation even at room temperature. The stress relaxation observed is a type of viscoelastic behavior that is more significant in thin metal films than in bulk materials. Metal films with a high relaxation resistance would have a lower probability of device failure due to stress relaxation. It has been shown that solid solution and oxide dispersion can strengthen a material without unacceptable decreases in electrical conductivity. In this study, the viscoelastic behavior of Au, AuV solid solution and AuV2O5 dispersion created by DC magnetron sputtering are investigated using the gas pressure bulge testing technique in the temperature range from 20 to 80°C. The effectiveness of the two strengthening approaches is compared with the pure Au in terms of relaxation modulus and 3 hour modulus decay. The time dependent relaxation curves can be fitted very well with a four-term Prony series model. From the temperature dependence of the terms of the series, activation energies have been deduced to identify the possible dominant relaxation mechanism. The measured modulus relaxation of Au films also proves that the films exhibit linear viscoelastic behavior. From this, a linear viscoelastic model is shown to fit very well to experimental steady state stress relaxation data and can predict time dependent stress for complex loading histories including the ability to predict stress-time behavior at other strain rates during loading. Two specific factors that are expected to influence the viscoelastic behavior-degree of alloying and grain size are investigated to explore the influence of V concentration in solid solution and grain size of pure Au. It is found that the normalized modulus of Au films is dependent on both concentration (C) and grain size (D) with proportionalities of C1/3 and D 2, respectively. A quantitative model of the rate-equation for dislocation glide plasticity based on Frost and Ashby is proposed and fitted well with steady state anelastic stress relaxation experimental data. The activation volume and the density of mobile dislocations is determined using repeated stress relaxation tests in order to further understand the viscoelastic relaxation mechanism. A rapid decrease of mobile dislocation density is found at the beginning of relaxation, which correlates well with a large reduction of viscoelastic modulus at the early stage of relaxation. The extracted activation volume and dislocation mobility can be ascribed to mobile dislocation loops with double kinks generated at grain boundaries, consistent with the dislocation mechanism proposed for the low activation energy measured in this study.

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

Statistical description of the motion of dislocation kinks in a random field of impurities adsorbed by a dislocation

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

Petukhov, B. V., E-mail: petukhov@ns.crys.ras.r

2010-01-15

A model has been proposed for describing the influence of impurities adsorbed by dislocation cores on the mobility of dislocation kinks in materials with a high crystalline relief (Peierls barriers). The delay time spectrum of kinks at statistical fluctuations of the impurity density has been calculated for a sufficiently high energy of interaction between impurities and dislocations when the migration potential is not reduced to a random Gaussian potential. It has been shown that fluctuations in the impurity distribution substantially change the character of the migration of dislocation kinks due to the slow decrease in the probability of long delaymore » times. The dependences of the position of the boundary of the dynamic phase transition to a sublinear drift of kinks x {proportional_to} t{sup {delta}} ({delta} {sigma} 1) and the characteristics of the anomalous mobility on the physical parameters (stress, impurity concentration, experimental temperature, etc.) have been calculated.« less

Free energy change of a dislocation due to a Cottrell atmosphere

NASA Astrophysics Data System (ADS)

Sills, R. B.; Cai, W.

2018-06-01

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. We show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel-hydrogen system, predicting hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Finally, the influence of the free energy change on a dislocation's line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank-Read source using discrete dislocation dynamics.

Evolution of mechanical properties of ultrafine grained 1050 alloy annealing with electric current

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

Cao, Yiheng; He, Lizi, E-mail: helizi@epm.neu.edu.cn; Zhang, Lin

2016-03-15

The tensile properties and microstructures of 1050 aluminum alloy prepared by equal channel angular pressing at cryogenic temperature (cryoECAP) after electric current annealing at 90–210 °C for 3 h were investigated by tensile test, electron back scattering diffraction (EBSD) and transmission electron microscopy (TEM). An unexpected annealing-induced strengthening phenomenon occurs at 90–210 °C, due to a significant decrease in the density of mobile dislocations after annealing, and thus a higher yield stress is required to nucleate alternative dislocation sources during tensile test. The electric current can enhance the motion of dislocations, lead to a lower dislocation density at 90–150 °C,more » and thus shift the peak annealing temperature from 150 °C to 120 °C. Moreover, the electric current can promote the migration of grain boundaries at 150–210 °C, result in a larger grain size at 150 °C and 210 °C, and thus causes a lower yield stress. The sample annealed with electric current has a lower uniform elongation at 90–120 °C, and the deviation in the uniform elongation between samples annealed without and with electric current becomes smaller at 150–210 °C. - Highlights: • An unexpected annealing-induced strengthening phenomenon occurs at 90–210 °C. • The d. c. current can enhance the motion of dislocations at 90–150 °C, and thus shift the peak annealing temperature from 150 °C to 120 °C. • The d. c. current can promote the grain growth at 150–210 °C, and thus cause a lower yield stress. • The DC annealed sample has a lower uniform elongation at 90–120 °C.« less

Influence of stress, temperature, and strain on calcite twins constrained by deformation experiments

NASA Astrophysics Data System (ADS)

Rybacki, E.; Evans, B.; Janssen, C.; Wirth, R.; Dresen, G.

2013-08-01

A series of low-strain triaxial compression and high-strain torsion experiments were performed on marble and limestone samples to examine the influence of stress, temperature, and strain on the evolution of twin density, the percentage of grains with 1, 2, or 3 twin sets, and the twin width—all parameters that have been suggested as either paleopiezometers or paleothermometers. Cylindrical and dog-bone-shaped samples were deformed in the semibrittle regime between 20 °C and 350 °C, under confining pressures of 50-400 MPa, and at strain rates of 10- 4-10- 6 s- 1. The samples sustained shear stresses, τ, up to 280 MPa, failing when deformed to shear strains γ > 1. The mean width of calcite twins increased with both temperature and strain, and thus, measurement of twin width provides only a rough estimation of peak temperature, unless additional constraints on deformation are known. In Carrara marble, the twin density, NL (no of twins/mm), increased as the rock hardened with strain and was approximately related to the peak differential stress, σ (MPa), by the relation σ=19.5±9.8√{N}. Dislocation tangles occurred along twin boundaries, resulting in a complicated cell structure, which also evolved with stress. As previously established, the square root of dislocation density, observed after quench, also correlated with peak stress. Apparently, both twin density and dislocation cell structure are important state variables for describing the strength of these rocks.

Quantitative stress radiography of the patella and evaluation of patellar laxity before and after lateral release for recurrent dislocation patella.

PubMed

Niimoto, Takuya; Deie, Masataka; Adachi, Nobuo; Usman, Muhammad Andry; Ochi, Mitsuo

2014-10-01

The aims of the present controlled clinical study were to (1) compare patella laxity determined in the outpatient clinic with that in anaesthetized patients and (2) evaluate patella laxity before and after lateral release. The study evaluated data on 33 knees from 33 patients (average age 19.7 years) between 2007 and 2011. All patients were diagnosed with recurrent dislocation of the patella. Patellar stability was evaluated in each patient thrice: patellas were first imaged in the outpatient clinic prior to surgery at 45° knee flexion with 20 N stress from the medial to lateral side and from the lateral to medial side; then, at the time of surgery, patella stress images were obtained in the same manner before and after the lateral release procedure. Radiological assessments were performed using the medial stress shift ratio (MSSR) and lateral stress shift ratio (LSSR). There were no significant differences in the LSSR and MSSR before surgery (outpatient data) and in anaesthetized patients before the lateral release procedure. Furthermore, there was no significant difference in MSSR at the time of surgery before and after the lateral release procedure. However, LSSR increased significantly after the lateral release procedure. The results of the present study suggest that quantitative patella stress radiography in the outpatient clinic is useful when it comes to investigating laxity of the patella, and that lateral release significantly increases lateral, but not medial, laxity in patients with recurrent patellar dislocation. IV.

The complexity of non-Schmid behavior in the CuZnAl shape memory alloy

NASA Astrophysics Data System (ADS)

Alkan, S.; Ojha, A.; Sehitoglu, H.

2018-05-01

The paper addresses one of the most important yet overlooked phenomenon in shape memory research- the plastic slip response. We show that the slip response is highly crystal orientation dependent and we demonstrate the precise reasons behind such complex response. The fractional dislocations on <111> {112} or <111> {011} systems can be activated depending on the sample orientation and solutions are derived for the variations in disregistries and dislocation core spreadings. This leads to the calculation of critical resolved shear stress in close agreement with experimental trends. The results show considerable dependence of the flow behavior on the non-Schmid stress components and the proposed yield criterion captures the role of stress tensor components.

Evaluation of the increase in threading dislocation during the initial stage of physical vapor transport growth of 4H-SiC

NASA Astrophysics Data System (ADS)

Suo, Hiromasa; Tsukimoto, Susumu; Eto, Kazuma; Osawa, Hiroshi; Kato, Tomohisa; Okumura, Hajime

2018-06-01

The increase in threading dislocation during the initial stage of physical vapor transport growth of n-type 4H-SiC crystals was evaluated by cross-sectional X-ray topography. Crystals were grown under two different temperature conditions. A significant increase in threading dislocation was observed in crystals grown at a high, not low, temperature. The local strain distribution in the vicinity of the grown/seed crystal interface was evaluated using the electron backscatter diffraction technique. The local nitrogen concentration distribution was also evaluated by time-of-flight secondary ion mass spectrometry. We discuss the relationship between the increase in threading dislocation and the local strain due to thermal stress and nitrogen concentration.

Crystal plasticity investigation of the microstructural factors influencing dislocation channeling in a model irradiated bcc material

DOE PAGES

Patra, Anirban; McDowell, David L.

2016-03-25

We use a continuum crystal plasticity framework to study the effect of microstructure and mesoscopic factors on dislocation channeling and flow localization in an irradiated model bcc alloy. For simulated dislocation channeling characteristics we correlate the dislocation and defect densities in the substructure, local Schmid factor, and stress triaxiality, in terms of their temporal and spatial evolution. A metric is introduced to assess the propensity for localization and is correlated to the grain-level Schmid factor. We also found that localization generally takes place in grains with a local Schmid factor in the range 0.42 or higher. Surface slip step heightsmore » are computed at free surfaces and compared to relevant experiments.« less

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

Hu, Shenyang; Setyawan, Wahyu; Joshi, Vineet V.

Xe gas bubble superlattice formation is observed in irradiated uranium–10 wt% molybdenum (U10Mo) fuels. However, the thermodynamic properties of the bubbles (the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) and the mechanisms of bubble growth and superlattice formation are not well known. In this work, molecular dynamics is used to study these properties and mechanisms. The results provide important inputs for quantitative mesoscale models of gas bubble evolution and fuel performance. In the molecular dynamics simulations, the embedded-atom method (EAM) potential of U10Mo-Xe (Smirnova et al. 2013) is employed. Initial gas bubbles with low Xe concentration aremore » generated in a U10Mo single crystal. Then Xe atom atoms are continuously added into the bubbles, and the evolution of pressure and dislocation emission around the bubbles is analyzed. The relationship between pressure, equilibrium Xe concentration, and radius of the bubbles is established. It was found that the gas bubble growth is accompanied by partial dislocation emission, which results in a star-shaped dislocation structure and an anisotropic stress field. The emitted partial dislocations have a Burgers vector along the <111> direction and a slip plane of (11-2). Dislocation loop punch-out was not observed. A tensile stress was found along <110> directions around the bubble, favoring the nucleation and formation of a face-centered cubic bubble superlattice in body-centered cubic U10Mo fuels.« less

Elastic precursor wave decay in shock-compressed aluminum over a wide range of temperature

NASA Astrophysics Data System (ADS)

Austin, Ryan A.

2018-01-01

The effect of temperature on the dynamic flow behavior of aluminum is considered in the context of precursor wave decay measurements and simulations. In this regard, a dislocation-based model of high-rate metal plasticity is brought into agreement with previous measurements of evolving wave profiles at 300 to 933 K, wherein the amplification of the precursor structure with temperature arises naturally from the dislocation mechanics treatment. The model suggests that the kinetics of inelastic flow and stress relaxation are governed primarily by phonon scattering and radiative damping (sound wave emission from dislocation cores), both of which intensify with temperature. The manifestation of these drag effects is linked to low dislocation density ahead of the precursor wave and the high mobility of dislocations in the face-centered cubic lattice. Simulations performed using other typical models of shock wave plasticity do not reproduce the observed temperature-dependence of elastic/plastic wave structure.

Dislocation dynamics in non-convex domains using finite elements with embedded discontinuities

NASA Astrophysics Data System (ADS)

Romero, Ignacio; Segurado, Javier; LLorca, Javier

2008-04-01

The standard strategy developed by Van der Giessen and Needleman (1995 Modelling Simul. Mater. Sci. Eng. 3 689) to simulate dislocation dynamics in two-dimensional finite domains was modified to account for the effect of dislocations leaving the crystal through a free surface in the case of arbitrary non-convex domains. The new approach incorporates the displacement jumps across the slip segments of the dislocations that have exited the crystal within the finite element analysis carried out to compute the image stresses on the dislocations due to the finite boundaries. This is done in a simple computationally efficient way by embedding the discontinuities in the finite element solution, a strategy often used in the numerical simulation of crack propagation in solids. Two academic examples are presented to validate and demonstrate the extended model and its implementation within a finite element program is detailed in the appendix.

Internal friction peaks observed in explosively deformed polycrystalline Mo, Nb, and Cu

NASA Technical Reports Server (NTRS)

Rieu, G. E.; Grimes, H. H.; Romain, J. P.; Defouquet, J.

1974-01-01

Explosive deformation (50 kbar range) induced, in Cu, Mo and Nb, internal friction peaks identical to those observed after large normal deformation. The variation of the peaks with pressure for Mo and Nb lead to an explanation of these processes in terms of double kink generation in screw and edge dislocations.

Interlaminar stress singularities at a straight free edge in composite laminates

NASA Technical Reports Server (NTRS)

Raju, I. S.; Crews, J. H., Jr.

1980-01-01

A quasi three dimensional finite element analysis was used to analyze the edge stress problem in four-ply, composite laminates. Convergence studies were made to explore the existence of stress singularities near the free edge. The existence of stress singularities at the intersection of the interface and the free edge is confirmed.

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.

The management of stress in MOCVD-grown InGaN/GaN LED multilayer structures on Si(1 1 1) substrates

NASA Astrophysics Data System (ADS)

Jiang, Quanzhong; Allsopp, Duncan W. E.; Bowen, Chris R.; Wang, Wang N.

2013-09-01

The tensile stress in light-emitting diode (LED)-on-Si(1 1 1) multilayer structures must be reduced so that it does not compromise the multiple quantum well emission wavelength uniformity and structural stability. In this paper it is shown for non-optimized LED structures grown on Si(1 1 1) substrates that both emission wavelength uniformity and structural stability can be achieved within the same growth process. In order to gain a deeper understanding of the stress distribution within such a structure, cross-sectional Raman and photo-luminescence spectroscopy techniques were developed. It is observed that for a Si:GaN layer grown on a low-temperature (LT) AlN intermediate layer there is a decrease in compressive stress with increasing Si:GaN layer thickness during MOCVD growth which leads to a high level of tensile stress in the upper part of the layer. This may lead to the development of cracks during cooling to room temperature. Such a phenomenon may be associated with annihilation of defects such as dislocations. Therefore, a reduction of dislocation intensity should take place at the early stage of GaN growth on an AlN or AlGaN layer in order to reduce a build up of tensile stress with thickness. Furthermore, it is also shown that a prolonged three dimensional GaN island growth on a LT AlN interlayer for the reduction of dislocations may result in a reduction in the compressive stress in the resulting GaN layer.

Disentangling nonradiative recombination processes in Ge micro-crystals on Si substrates

NASA Astrophysics Data System (ADS)

Pezzoli, Fabio; Giorgioni, Anna; Gallacher, Kevin; Isa, Fabio; Biagioni, Paolo; Millar, Ross W.; Gatti, Eleonora; Grilli, Emanuele; Bonera, Emiliano; Isella, Giovanni; Paul, Douglas J.; Miglio, Leo

2016-06-01

We address nonradiative recombination pathways by leveraging surface passivation and dislocation management in μm-scale arrays of Ge crystals grown on deeply patterned Si substrates. The time decay photoluminescence (PL) at cryogenic temperatures discloses carrier lifetimes approaching 45 ns in band-gap engineered Ge micro-crystals. This investigation provides compelling information about the competitive interplay between the radiative band-edge transitions and the trapping of carriers by dislocations and free surfaces. Furthermore, an in-depth analysis of the temperature dependence of the PL, combined with capacitance data and finite difference time domain modeling, demonstrates the effectiveness of GeO2 in passivating the surface of Ge and thus in enhancing the room temperature PL emission.

Solid/melt interface studies of high-speed silicon sheet growth

NASA Technical Reports Server (NTRS)

Ciszek, T. F.

1984-01-01

Radial growth-rate anisotropies and limiting growth forms of point nucleated, dislocation-free silicon sheets spreading horizontally on the free surface of a silicon melt have been measured for (100), (110), (111), and (112) sheet planes. Sixteen-millimeter movie photography was used to record the growth process. Analysis of the sheet edges has lead to predicted geometries for the tip shape of unidirectional, dislocation-free, horizontally growing sheets propagating in various directions within the above-mentioned planes. Similar techniques were used to study polycrystalline sheets and dendrite propagation. For dendrites, growth rates on the order of 2.5 m/min and growth rate anisotropies on the order of 25 were measured.

A study of interply layer effects on the free-edge stress field of angleplied laminates

NASA Technical Reports Server (NTRS)

Murthy, P. L. N.; Chamis, C. C.

1984-01-01

The general-purpose finite-element program MSC/NASTRAN is used to study the interply layer effects on the free-edge stress field of symmetric angleplied laminates subjected to uniform tensile stress. The free-edge region is modeled as a separate substructure (superelement) which enables easy mesh refinement and provides the flexibility to move the superelement along the edge. The results indicate that the interply layer reduces the stress intensity significantly at the free edge. Another important observation of the study is that the failures observed near free edges of these types of laminates could have been caused by the interlaminar shear stresses.

Implications of Grain Size Evolution for the Effective Stress Exponent in Ice

NASA Astrophysics Data System (ADS)

Behn, M. D.; Goldsby, D. L.; Hirth, G.

2016-12-01

Viscous flow in ice has typically been described by the Glen law—a non-Newtonian, power-law relationship between stress and strain-rate with a stress exponent n 3. The Glen law is attributed to grain-size-insensitive dislocation creep; however, laboratory and field studies demonstrate that deformation in ice is strongly dependent on grain size. This has led to the hypothesis that at sufficiently low stresses, ice flow is controlled by grain boundary sliding [1], which explicitly incorporates the grain-size dependence of ice rheology. Yet, neither dislocation creep (n 4), nor grain boundary sliding (n 1.8), have stress exponents that match the value of n 3 for the Glen law. Thus, although the Glen law provides an approximate description of ice flow in glaciers and ice sheets, its functional form cannot be explained by a single deformation mechanism. Here we seek to understand the origin of the n 3 dependence of the Glen law through a new model for grain-size evolution in ice. In our model, grain size evolves in response to the balance between dynamic recrystallization and grain growth. To simulate these processes we adapt the "wattmeter" [2], originally developed within the solid-Earth community to quantify grain size in crustal and mantle rocks. The wattmeter posits that grain size is controlled by a balance between the mechanical work required for grain growth and dynamic grain size reduction. The evolution of grain size in turn controls the relative contributions of dislocation creep and grain boundary sliding, and thus the effective stress exponent for ice flow. Using this approach, we first benchmark our grain size evolution model on experimental data and then calculate grain size in two end-member scenarios: (1) as a function of depth within an ice-sheet, and (2) across an ice-stream margin. We show that the calculated grain sizes match ice core observations for the interior of ice sheets. Furthermore, owing to the influence of grain size on strain rate, the variation in grain size with deformation conditions results in an effective stress exponent intermediate between grain boundary sliding and dislocation creep. [1] Goldsby & Kohlstedt, JGR, 2001; [2] Austin & Evans, Geology, 1997

Green's functions for dislocations in bonded strips and related crack problems

NASA Technical Reports Server (NTRS)

Ballarini, R.; Luo, H. A.

1990-01-01

Green's functions are derived for the plane elastostatics problem of a dislocation in a bimaterial strip. Using these fundamental solutions as kernels, various problems involving cracks in a bimaterial strip are analyzed using singular integral equations. For each problem considered, stress intensity factors are calculated for several combinations of the parameters which describe loading, geometry and material mismatch.

Forecasting Low-Cycle Fatigue Performance of Twinning-Induced Plasticity Steels: Difficulty and Attempt

NASA Astrophysics Data System (ADS)

Shao, C. W.; Zhang, P.; Zhang, Z. J.; Liu, R.; Zhang, Z. F.

2017-12-01

We find the existing empirical relations based on monotonic tensile properties and/or hardness cannot satisfactorily predict the low-cycle fatigue (LCF) performance of materials, especially for twinning-induced plasticity (TWIP) steels. Given this, we first identified the different deformation mechanisms under monotonic and cyclic deformation after a comprehensive study of stress-strain behaviors and microstructure evolutions for Fe-Mn-C alloys during tension and LCF, respectively. It is found that the good tensile properties of TWIP steel mainly originate from the large activation of multiple twinning systems, which may be attributed to the grain rotation during tensile deformation; while its LCF performance depends more on the dislocation slip mode, in addition to its strength and plasticity. Based on this, we further investigate the essential relations between microscopic damage mechanism (dislocation-dislocation interaction) and cyclic stress response, and propose a hysteresis loop model based on dislocation annihilation theory, trying to quickly assess the LCF resistance of Fe-Mn-C steels as well as other engineering materials. It is suggested that the hysteresis loop and its evolution can provide significant information on cyclic deformation behavior, e.g., (point) defect multiplication and vacancy aggregation, which may help estimate the LCF properties.

Defect sensitive etching of hexagonal boron nitride single crystals

NASA Astrophysics Data System (ADS)

Edgar, J. H.; Liu, S.; Hoffman, T.; Zhang, Yichao; Twigg, M. E.; Bassim, Nabil D.; Liang, Shenglong; Khan, Neelam

2017-12-01

Defect sensitive etching (DSE) was developed to estimate the density of non-basal plane dislocations in hexagonal boron nitride (hBN) single crystals. The crystals employed in this study were precipitated by slowly cooling (2-4 °C/h) a nickel-chromium flux saturated with hBN from 1500 °C under 1 bar of flowing nitrogen. On the (0001) planes, hexagonal-shaped etch pits were formed by etching the crystals in a eutectic mixture of NaOH and KOH between 450 °C and 525 °C for 1-2 min. There were three types of pits: pointed bottom, flat bottom, and mixed shape pits. Cross-sectional transmission electron microscopy revealed that the pointed bottom etch pits examined were associated with threading dislocations. All of these dislocations had an a-type burgers vector (i.e., they were edge dislocations, since the line direction is perpendicular to the [ 2 11 ¯ 0 ]-type direction). The pit widths were much wider than the pit depths as measured by atomic force microscopy, indicating the lateral etch rate was much faster than the vertical etch rate. From an Arrhenius plot of the log of the etch rate versus the inverse temperature, the activation energy was approximately 60 kJ/mol. This work demonstrates that DSE is an effective method for locating threading dislocations in hBN and estimating their densities.

Stress and efficiency studies in EFG

NASA Technical Reports Server (NTRS)

Kalejs, J. P.

1984-01-01

Stress and efficiency studies in EFG were carried out for silicon sheet growth. Methods were developed to quantify influence of dislocation electrical activity on bulk lifetime. A new creep law formulation for silicon stress was developed. Bulk lifetime degradation due to increase in doping levels was also examined.

A modified constitutive model for creep of Sn-3.5Ag-0.7Cu solder joints

NASA Astrophysics Data System (ADS)

Han, Y. D.; Jing, H. Y.; Nai, S. M. L.; Tan, C. M.; Wei, J.; Xu, L. Y.; Zhang, S. R.

2009-06-01

In this study, the constitutive behaviour for creep performance of 95.8Sn-3.5Ag-0.7Cu lead-free solder joints was investigated. It was observed that the stress exponent (n) can be well defined into two stress regimes: low stress and high stress. A new, improved constitutive model, which considered back stress, was proposed to describe the creep behaviour of SnAgCu solder joints. In this model, the back stress, which is a function of the applied shear stress in the low stress regime (LSR) and a function of the particle size, volume fraction and coarsening of IMC particles in the high stress regime (HSR), was introduced to construct the relationship between the creep strain rate and the shear stress. The creep mechanism in these two stress regimes was studied in detail. In the LSR, dislocations passed through the matrix by climbing over the intermetallic particles, while in the HSR, the dislocations were glide-controlled. According to the different creep mechanisms in both the stress regimes, the back stress was calculated, respectively, and then incorporated into the Arrhenius power-law creep model. It was demonstrated that the predicted strain rate-shear stress behaviour employing the modified creep constitutive model which considered back stress, was in good agreement with the experimental results.

The size effects upon shock plastic compression of nanocrystals

NASA Astrophysics Data System (ADS)

Malygin, G. A.; Klyavin, O. V.

2017-10-01

For the first time a theoretical analysis of scale effects upon the shock plastic compression of nanocrystals is implemented in the context of a dislocation kinetic approach based on the equations and relationships of dislocation kinetics. The yield point of crystals τy is established as a quantitative function of their cross-section size D and the rate of shock deformation as τy ɛ2/3 D. This dependence is valid in the case of elastic stress relaxation on account of emission of dislocations from single-pole Frank-Read sources near the crystal surface.

Surface dislocation nucleation controlled deformation of Au nanowires

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

Roos, B.; Kapelle, B.; Volkert, C. A., E-mail: volkert@ump.gwdg.de

2014-11-17

We investigate deformation in high quality Au nanowires under both tension and bending using in-situ transmission electron microscopy. Defect evolution is investigated during: (1) tensile deformation of 〈110〉 oriented, initially defect-free, single crystal nanowires with cross-sectional widths between 30 and 300 nm, (2) bending deformation of the same wires, and (3) tensile deformation of wires containing coherent twin boundaries along their lengths. We observe the formation of twins and stacking faults in the single crystal wires under tension, and storage of full dislocations after bending of single crystal wires and after tension of twinned wires. The stress state dependence of themore » deformation morphology and the formation of stacking faults and twins are not features of bulk Au, where deformation is controlled by dislocation interactions. Instead, we attribute the deformation morphologies to the surface nucleation of either leading or trailing partial dislocations, depending on the Schmid factors, which move through and exit the wires producing stacking faults or full dislocation slip. The presence of obstacles such as neutral planes or twin boundaries hinder the egress of the freshly nucleated dislocations and allow trailing and leading partial dislocations to combine and to be stored as full dislocations in the wires. We infer that the twins and stacking faults often observed in nanoscale Au specimens are not a direct size effect but the result of a size and obstacle dependent transition from dislocation interaction controlled to dislocation nucleation controlled deformation.« less

Ion Beam Assisted Deposition of Thin Epitaxial GaN Films.

PubMed

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

2017-06-23

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

Topological Defects in Topological Insulators and Bound States at Topological Superconductor Vortices

PubMed Central

Parente, Vincenzo; Campagnano, Gabriele; Giuliano, Domenico; Tagliacozzo, Arturo; Guinea, Francisco

2014-01-01

The scattering of Dirac electrons by topological defects could be one of the most relevant sources of resistance in graphene and at the boundary surfaces of a three-dimensional topological insulator (3D TI). In the long wavelength, continuous limit of the Dirac equation, the topological defect can be described as a distortion of the metric in curved space, which can be accounted for by a rotation of the Gamma matrices and by a spin connection inherited with the curvature. These features modify the scattering properties of the carriers. We discuss the self-energy of defect formation with this approach and the electron cross-section for intra-valley scattering at an edge dislocation in graphene, including corrections coming from the local stress. The cross-section contribution to the resistivity, ρ, is derived within the Boltzmann theory of transport. On the same lines, we discuss the scattering of a screw dislocation in a two-band 3D TI, like Bi1−xSbx, and we present the analytical simplified form of the wavefunction for gapless helical states bound at the defect. When a 3D TI is sandwiched between two even-parity superconductors, Dirac boundary states acquire superconductive correlations by proximity. In the presence of a magnetic vortex piercing the heterostructure, two Majorana states are localized at the two interfaces and bound to the vortex core. They have a half integer total angular momentum each, to match with the unitary orbital angular momentum of the vortex charge. PMID:28788537

Topological Defects in Topological Insulators and Bound States at Topological Superconductor Vortices.

PubMed

Parente, Vincenzo; Campagnano, Gabriele; Giuliano, Domenico; Tagliacozzo, Arturo; Guinea, Francisco

2014-03-04

The scattering of Dirac electrons by topological defects could be one of the most relevant sources of resistance in graphene and at the boundary surfaces of a three-dimensional topological insulator (3D TI). In the long wavelength, continuous limit of the Dirac equation, the topological defect can be described as a distortion of the metric in curved space, which can be accounted for by a rotation of the Gamma matrices and by a spin connection inherited with the curvature. These features modify the scattering properties of the carriers. We discuss the self-energy of defect formation with this approach and the electron cross-section for intra-valley scattering at an edge dislocation in graphene, including corrections coming from the local stress. The cross-section contribution to the resistivity, ρ, is derived within the Boltzmann theory of transport. On the same lines, we discuss the scattering of a screw dislocation in a two-band 3D TI, like Bi 1-x Sb x , and we present the analytical simplified form of the wavefunction for gapless helical states bound at the defect. When a 3D TI is sandwiched between two even-parity superconductors, Dirac boundary states acquire superconductive correlations by proximity. In the presence of a magnetic vortex piercing the heterostructure, two Majorana states are localized at the two interfaces and bound to the vortex core. They have a half integer total angular momentum each, to match with the unitary orbital angular momentum of the vortex charge.

Deformation localization and dislocation channel dynamics in neutron-irradiated austenitic stainless steels

DOE PAGES

Gussev, Maxim N.; Field, Kevin G.; Busby, Jeremy T.

2015-02-24

We investigated dynamics of deformation localization and dislocation channel formation in situ in a neutron irradiated AISI 304 austenitic stainless steel and a model 304-based austenitic alloy by combining several analytical techniques including optic microscopy and laser confocal microscopy, scanning electron microscopy, electron backscatter diffraction and transmission electron microscopy. Channel formation was observed at 70% of the formal tensile yield stress for both alloys. It was shown that triple junction points do not always serve as a source of dislocation channels; at stress levels below the yield stress, channels often formed near the middle of the grain boundary. For amore » single grain, the role of elastic stiffness value (Young modulus) in the channel formation was analyzed; it was shown that in the irradiated 304 steels the initial channels appeared in soft grains with a high Schmid factor located near stiff grains with high elastic stiffness. Moreover, the spatial organization of channels in a single grain was analyzed; it was shown that secondary channels operating in the same slip plane as primary channels often appeared at the middle or at one third of the way between primary channels. The twinning nature of dislocation channels was analyzed for grains of different orientation using TEM. Finally, it was shown that in the AISI 304 steel, channels were twin-free in grains oriented close to [001] and [101] of standard unit triangle; [111]-grains and grains oriented close to Schmid factor maximum contained deformation twins.« less

Achieving reversibility of ultra-high mechanical stress by hydrogen loading of thin films

NASA Astrophysics Data System (ADS)

Hamm, M.; Burlaka, V.; Wagner, S.; Pundt, A.

2015-06-01

Nano-materials are commonly stabilized by supports to maintain their desired shape and size. When these nano-materials take up interstitial atoms, this attachment to the support induces mechanical stresses. These stresses can be high when the support is rigid. High stress in the nano-material is typically released by delamination from the support or by the generation of defects, e.g., dislocations. As high mechanical stress can be beneficial for tuning the nano-materials properties, it is of general interest to deduce how real high mechanical stress can be gained. Here, we show that below a threshold nano-material size, dislocation formation can be completely suppressed and, when delamination is inhibited, even the ultrahigh stress values of the linear elastic limit can be reached. Specifically, for hydrogen solved in epitaxial niobium films on sapphire substrate supports a threshold film thickness of 6 nm was found and mechanical stress of up to (-10 ± 1) GPa was reached. This finding is of basic interest for hydrogen energy applications, as the hydride stability in metals itself is affected by mechanical stress. Thus, tuning of the mechanical stress-state in nano-materials may lead to improved storage properties of nano-sized materials.

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Strain 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).

Onset of Plasticity via Relaxation Analysis (OPRA)

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

Pandey, Amit; Wheeler, Robert; Shyam, Amit

In crystalline metals and alloys, plasticity occurs due to the movement of mobile dislocations and the yield stress for engineering applications is traditionally quantified based on strain. The onset of irreversible plasticity or “yielding” is generally identified by a deviation from linearity in the stress-strain plot or by some standard convention such as 0.2 % offset strain relative to the “linear elastic response”. In the present work, we introduce a new methodology for the determination of the true yield point based on stress relaxation. We show experimentally that this determination is self-consistent in nature and, as such, provides an objectivemore » observation of the very onset of plastic flow. Lastly, our designation for yielding is no longer related to the shape of the stress-strain curve but instead reflects the earliest signature of the activation of concerted irreversible dislocation motion in a test specimen under increasing load.« less

Onset of Plasticity via Relaxation Analysis (OPRA)

DOE PAGES

Pandey, Amit; Wheeler, Robert; Shyam, Amit; ...

2016-03-17

In crystalline metals and alloys, plasticity occurs due to the movement of mobile dislocations and the yield stress for engineering applications is traditionally quantified based on strain. The onset of irreversible plasticity or “yielding” is generally identified by a deviation from linearity in the stress-strain plot or by some standard convention such as 0.2 % offset strain relative to the “linear elastic response”. In the present work, we introduce a new methodology for the determination of the true yield point based on stress relaxation. We show experimentally that this determination is self-consistent in nature and, as such, provides an objectivemore » observation of the very onset of plastic flow. Lastly, our designation for yielding is no longer related to the shape of the stress-strain curve but instead reflects the earliest signature of the activation of concerted irreversible dislocation motion in a test specimen under increasing load.« less

Plastic strain is a mixture of avalanches and quasireversible deformations: Study of various sizes

NASA Astrophysics Data System (ADS)

Szabó, Péter; Ispánovity, Péter Dusán; Groma, István

2015-02-01

The size dependence of plastic flow is studied by discrete dislocation dynamical simulations of systems with various amounts of interacting dislocations while the stress is slowly increased. The regions between avalanches in the individual stress curves as functions of the plastic strain were found to be nearly linear and reversible where the plastic deformation obeys an effective equation of motion with a nearly linear force. For small plastic deformation, the mean values of the stress-strain curves obey a power law over two decades. Here and for somewhat larger plastic deformations, the mean stress-strain curves converge for larger sizes, while their variances shrink, both indicating the existence of a thermodynamical limit. The converging averages decrease with increasing size, in accordance with size effects from experiments. For large plastic deformations, where steady flow sets in, the thermodynamical limit was not realized in this model system.

High temperature deformation behavior, thermal stability and irradiation performance in Grade 92 steel

NASA Astrophysics Data System (ADS)

Alsagabi, Sultan

The 9Cr-2W ferritic-martensitic steel (i.e. Grade 92 steel) possesses excellent mechanical and thermophysical properties; therefore, it has been considered to suit more challenging applications where high temperature strength and creep-rupture properties are required. The high temperature deformation mechanism was investigated through a set of tensile testing at elevated temperatures. Hence, the threshold stress concept was applied to elucidate the operating high temperature deformation mechanism. It was identified as the high temperature climb of edge dislocations due to the particle-dislocation interactions and the appropriate constitutive equation was developed. In addition, the microstructural evolution at room and elevated temperatures was investigated. For instance, the microstructural evolution under loading was more pronounced and carbide precipitation showed more coarsening tendency. The growth of these carbide precipitates, by removing W and Mo from matrix, significantly deteriorates the solid solution strengthening. The MX type carbonitrides exhibited better coarsening resistance. To better understand the thermal microstructural stability, long tempering schedules up to 1000 hours was conducted at 560, 660 and 760°C after normalizing the steel. Still, the coarsening rate of M23C 6 carbides was higher than the MX-type particles. Moreover, the Laves phase particles were detected after tempering the steel for long periods before they dissolve back into the matrix at high temperature (i.e. 720°C). The influence of the tempering temperature and time was studied for Grade 92 steel via Hollomon-Jaffe parameter. Finally, the irradiation performance of Grade 92 steel was evaluated to examine the feasibility of its eventual reactor use. To that end, Grade 92 steel was irradiated with iron (Fe2+) ions to 10, 50 and 100 dpa at 30 and 500°C. Overall, the irradiated samples showed some irradiation-induced hardening which was more noticeable at 30°C. Additionally, irradiation-induced defect clusters and dislocation loops were observed and the irradiated samples did not show any bubble or void.

Acoustic-pseudoelastic effect and internal friction during stress-induced martensitic transformation in Cu-Al-Ni single crystals

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

Sapozhnikov, K.V.; Vetrov, V.V.; Pulnev, S.A.

1996-05-15

Internal friction (IF) during temperature-induced thermoelastic martensitic transformation (TMT) has been studied extensively, whereas IF behavior during stress-induced TMT has not attracted much attention so far. It is known that quasistatic flow stress may decrease under superimposition of an oscillatory stress in the case of dislocation plasticity (acoustoplastic or Blaha effect). Strain originating from the reversible TMT (so-called transformation pseudoelasticity), in contrast to the dislocation plastic strain, may be completely reversible, however, accompanied by macroscopic hysteresis. The existence of the pseudoelastic hysteresis is usually attributed to the presence of obstacles impeding the mobility of interfaces during stress-induced transformation. A numbermore » of theories also consider the mobility of interfaces as the main source of IF during TMT. As a consequence, one should expect certain interconnection between the ADIF during stress-induced TMT and the macroscopically observed hysteresis. Thus the purpose of present paper is to study in a wide oscillatory strain amplitude range the ADIF during stress-induced TMT and the effect of ultrasound on this mode of deformation.« less

Manipulation of domain-wall solitons in bi- and trilayer graphene

NASA Astrophysics Data System (ADS)

Jiang, Lili; Wang, Sheng; Shi, Zhiwen; Jin, Chenhao; Utama, M. Iqbal Bakti; Zhao, Sihan; Shen, Yuen-Ron; Gao, Hong-Jun; Zhang, Guangyu; Wang, Feng

2018-01-01

Topological dislocations and stacking faults greatly affect the performance of functional crystalline materials1-3. Layer-stacking domain walls (DWs) in graphene alter its electronic properties and give rise to fascinating new physics such as quantum valley Hall edge states4-10. Extensive efforts have been dedicated to the engineering of dislocations to obtain materials with advanced properties. However, the manipulation of individual dislocations to precisely control the local structure and local properties of bulk material remains an outstanding challenge. Here we report the manipulation of individual layer-stacking DWs in bi- and trilayer graphene by means of a local mechanical force exerted by an atomic force microscope tip. We demonstrate experimentally the capability to move, erase and split individual DWs as well as annihilate or create closed-loop DWs. We further show that the DW motion is highly anisotropic, offering a simple approach to create solitons with designed atomic structures. Most artificially created DW structures are found to be stable at room temperature.

Modelling of creep curves of Ni3Ge single crystals

NASA Astrophysics Data System (ADS)

Starenchenko, V. A.; Starenchenko, S. V.; Pantyukhova, O. D.; Solov'eva, Yu V.

2015-01-01

In this paper the creep model of alloys with L12 superstructure is presented. The creep model is based on the idea of the mechanisms superposition connected with the different elementary deformation processes. Some of them are incident to the ordered structure L12 (anomalous mechanisms), others are typical to pure metals with the fcc structure (normal mechanisms): the accumulation of thermal APBs by means of the intersection of moving dislocations; the formation of APB tubes; the multiplication of superdislocations; the movement of single dislocations; the accumulation of point defects, such as vacancies and interstitial atoms; the accumulation APBs at the climb of edge dislocations. This model takes into account the experimental facts of the wetting antiphase boundaries and emergence of the disordered phase within the ordered phase. The calculations of the creep curves are performed under different conditions. This model describes different kinds of the creep curves and demonstrates the important meaning of the deformation superlocalisation leading to the inverse creep. The experimental and theoretical results coincide rather well.

Analysis of silicon stress/strain relationships

NASA Technical Reports Server (NTRS)

Dillon, O.

1985-01-01

In the study of stress-strain relationships in silicon ribbon, numerous solutions were calculated for stresses, strain rates, and dislocation densities through the use of the Sumino model. It was concluded that many cases of failure of computer solutions to converge are analytical manifestations of shear bands (Luder's band) observed in experiments.

Effects of Cutting Edge Microgeometry on Residual Stress in Orthogonal Cutting of Inconel 718 by FEM.

PubMed

Shen, Qi; Liu, Zhanqiang; Hua, Yang; Zhao, Jinfu; Lv, Woyun; Mohsan, Aziz Ul Hassan

2018-06-14

Service performance of components such as fatigue life are dramatically influenced by the machined surface and subsurface residual stresses. This paper aims at achieving a better understanding of the influence of cutting edge microgeometry on machined surface residual stresses during orthogonal dry cutting of Inconel 718. Numerical and experimental investigations have been conducted in this research. The cutting edge microgeometry factors of average cutting edge radius S¯, form-factor K , and chamfer were investigated. An increasing trend for the magnitudes of both tensile and compressive residual stresses was observed by using larger S¯ or introducing a chamfer on the cutting edges. The ploughing depth has been predicted based on the stagnation zone. The increase of ploughing depth means that more material was ironed on the workpiece subsurface, which resulted in an increase in the compressive residual stress. The thermal loads were leading factors that affected the surface tensile residual stress. For the unsymmetrical honed cutting edge with K = 2, the friction between tool and workpiece and tensile residual stress tended to be high, while for the unsymmetrical honed cutting edge with K = 0.5, the high ploughing depth led to a higher compressive residual stress. This paper provides guidance for regulating machine-induced residual stress by edge preparation.

3D DDD modelling of dislocation-precipitate interaction in a nickel-based single crystal superalloy under cyclic deformation

NASA Astrophysics Data System (ADS)

Lin, Bing; Huang, Minsheng; Zhao, Liguo; Roy, Anish; Silberschmidt, Vadim; Barnard, Nick; Whittaker, Mark; McColvin, Gordon

2018-06-01

Strain-controlled cyclic deformation of a nickel-based single crystal superalloy has been modelled using three-dimensional (3D) discrete dislocation dynamics (DDD) for both [0 0 1] and [1 1 1] orientations. The work focused on the interaction between dislocations and precipitates during cyclic plastic deformation at elevated temperature, which has not been well studied yet. A representative volume element with cubic γ‧-precipitates was chosen to represent the material, with enforced periodical boundary conditions. In particular, cutting of superdislocations into precipitates was simulated by a back-force method. The global cyclic stress-strain responses were captured well by the DDD model when compared to experimental data, particularly the effects of crystallographic orientation. Dislocation evolution showed that considerably high density of dislocations was produced for [1 1 1] orientation when compared to [0 0 1] orientation. Cutting of dislocations into the precipitates had a significant effect on the plastic deformation, leading to material softening. Contour plots of in-plane shear strain proved the development of heterogeneous strain field, resulting in the formation of shear-band embryos.

Torsion analysis of cracked circular bars actuated by a piezoelectric coating

NASA Astrophysics Data System (ADS)

Hassani, A. R.; Faal, R. T.

2016-12-01

This study presents a formulation for a bar with circular cross-section, coated by a piezoelectric layer and subjected to Saint-Venant torsion loading. The bar is weakened by a Volterra-type screw dislocation. First, with aid of the finite Fourier transform, the stress fields in the circular bar and the piezoelectric layer are obtained. The problem is then reduced to a set of singular integral equations with a Cauchy-type singularity. Unknown dislocation density is achieved by numerical solution of these integral equations. Numerical results are discussed, to reveal the effect of the piezoelectric layer on the reduction of the mechanical stress intensity factor in the bar.

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

Nesterova, E.V.; Bouvier, S.; Bacroix, B.

Transmission electron microscopy (TEM) microstructures of a high-strength dual-phase steel DP800 have been examined after moderate plastic deformations in simple shear and uniaxial tension. Special attention has been paid to the effect of the intergranular hard phase (martensite) on the microstructure evolution in the near-grain boundary regions. Quantitative parameters of dislocation patterning have been determined and compared with the similar characteristics of previously examined single-phase steels. The dislocation patterning in the interiors of the ferrite grains in DP800 steel is found to be similar to that already observed in the single-phase IF (Interstitial Free) steel whereas the martensite-affected zones presentmore » a delay in patterning and display very high gradients of continuous (gradual) disorientations associated with local internal stresses. The above stresses are shown to control the work-hardening of dual-phase materials at moderate strains for monotonic loading and are assumed to influence their microstructure evolution and mechanical behavior under strain-path changes. - Highlights: • The microstructure evolution has been studied by TEM in a DP800 steel. • It is influenced by both martensite and dislocations in the initial state. • The DP800 steel presents a high work-hardening rate due to internal stresses.« less

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.

Multiscale Modeling of Structurally-Graded Materials Using Discrete Dislocation Plasticity Models and Continuum Crystal Plasticity Models

NASA Technical Reports Server (NTRS)

Saether, Erik; Hochhalter, Jacob D.; Glaessgen, Edward H.

2012-01-01

A multiscale modeling methodology that combines the predictive capability of discrete dislocation plasticity and the computational efficiency of continuum crystal plasticity is developed. Single crystal configurations of different grain sizes modeled with periodic boundary conditions are analyzed using discrete dislocation plasticity (DD) to obtain grain size-dependent stress-strain predictions. These relationships are mapped into crystal plasticity parameters to develop a multiscale DD/CP model for continuum level simulations. A polycrystal model of a structurally-graded microstructure is developed, analyzed and used as a benchmark for comparison between the multiscale DD/CP model and the DD predictions. The multiscale DD/CP model follows the DD predictions closely up to an initial peak stress and then follows a strain hardening path that is parallel but somewhat offset from the DD predictions. The difference is believed to be from a combination of the strain rate in the DD simulation and the inability of the DD/CP model to represent non-monotonic material response.

Simulation study of the effect of strain rate on the mechanical properties and tensile deformation of gold nanowire

NASA Astrophysics Data System (ADS)

Shi, Guo-Jie; Wang, Jin-Guo; Hou, Zhao-Yang; Wang, Zhen; Liu, Rang-Su

2017-09-01

The mechanical properties and deformation mechanisms of Au nanowire during the tensile processes at different strain rates are revealed by the molecular dynamics method. It is found that the Au nanowire displays three distinct types of mechanical behaviors when tensioning at low, medium and high strain rates, respectively. At the low strain rate, the stress-strain curve displays a periodic zigzag increase-decrease feature, and the plastic deformation is resulted from the slide of dislocation. The dislocations nucleate, propagate, and finally annihilate in every decreasing stages of stress, and the nanowire always can recover to FCC-ordered structure. At the medium strain rate, the stress-strain curve gently decreases during the plastic process, and the deformation is contributed from sliding and twinning. The dislocations formed in the yield stage do not fully propagate and further escape from the nanowire. At the high strain rate, the stress-strain curve wave-like oscillates during the plastic process, and the deformation is resulted from amorphization. The FCC atoms quickly transform into disordered amorphous structure in the yield stage. The relative magnitude between the loading velocity of strain and the propagation velocity of phonons determines the different deformation mechanisms. The mechanical behavior of Au nanowire is similar to Ni, Cu and Pt nanowires, but their deformation mechanisms are not completely identical with each other.

Free energy change of a dislocation due to a Cottrell atmosphere

DOE PAGES

Sills, R. B.; Cai, W.

2018-03-07

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

Free energy change of a dislocation due to a Cottrell atmosphere

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

Sills, R. B.; Cai, W.

The free energy reduction of a dislocation due to a Cottrell atmosphere of solutes is computed using a continuum model. In this work, we show that the free energy change is composed of near-core and far-field components. The far-field component can be computed analytically using the linearized theory of solid solutions. Near the core the linearized theory is inaccurate, and the near-core component must be computed numerically. The influence of interactions between solutes in neighbouring lattice sites is also examined using the continuum model. We show that this model is able to reproduce atomistic calculations of the nickel–hydrogen system, predictingmore » hydride formation on dislocations. The formation of these hydrides leads to dramatic reductions in the free energy. Lastly, the influence of the free energy change on a dislocation’s line tension is examined by computing the equilibrium shape of a dislocation shear loop and the activation stress for a Frank–Read source using discrete dislocation dynamics.« less

Effect of gamma-ray irradiation on the device process-induced defects in 4H-SiC epilayers

NASA Astrophysics Data System (ADS)

Miyazaki, T.; Makino, T.; Takeyama, A.; Onoda, S.; Ohshima, T.; Tanaka, Y.; Kandori, M.; Yoshie, T.; Hijikata, Y.

2016-11-01

We investigated the gamma-ray irradiation effect on 4H-SiC device process-induced defects by photoluminescence (PL) imaging and deep level transient spectroscopy (DLTS). We found that basal plane dislocations (BPDs) that were present before the irradiation were eliminated by gamma-ray irradiation of 1 MGy. The reduction mechanism of BPD was discussed in terms of BPD-threading edge dislocation (TED) transformation and shrinkage of stacking faults. In addition, the entire PL image was gradually darkened with increasing absorbed dose, which is presumably due to the point defects generated by gamma-ray irradiation. We obtained DLTS peaks that could be assigned to complex defects, termed RD series, and found that the peaks increased with absorbed dose.

Three-dimensional modelling of thermal stress in floating zone silicon crystal growth

NASA Astrophysics Data System (ADS)

Plate, Matiss; Krauze, Armands; Virbulis, Jānis

2018-05-01

During the growth of large diameter silicon single crystals with the industrial floating zone method, undesirable level of thermal stress in the crystal is easily reached due to the inhomogeneous expansion as the crystal cools down. Shapes of the phase boundaries, temperature field and elastic material properties determine the thermal stress distribution in the solid mono crystalline silicon during cylindrical growth. Excessive stress can lead to fracture, generation of dislocations and altered distribution of intrinsic point defects. Although appearance of ridges on the crystal surface is the decisive factor of a dislocation-free growth, the influence of these ridges on the stress field is not completely clear. Here we present the results of thermal stress analysis for 4” and 5” diameter crystals using a quasi-stationary three dimensional mathematical model including the material anisotropy and the presence of experimentally observed ridges which cannot be addressed with axis-symmetric models. The ridge has a local but relatively strong influence on thermal stress therefore its relation to the origin of fracture is hypothesized. In addition, thermal stresses at the crystal rim are found to increase for a particular position of the crystal radiation reflector.

Traumatic dislocation of the incudostapedial joint repaired with fibrin tissue adhesive.

PubMed

Nikolaidis, Vasilios

2011-03-01

We present a case of traumatic dislocation of the incudostapedial joint (ISJ) and a simple method for controlled application of the glue using commercial fibrin tissue adhesive. A 26-year-old female presented to our ENT clinic for hearing impairment to her left ear 2 months after a head trauma due to a motorcycle accident. The audiogram revealed a 40- to 50-dB HL conductive hearing loss with a notch configuration in bone conduction curve on the left ear. Computed tomography of the left temporal bone revealed a longitudinal fracture line. An exploratory tympanotomy was performed under general anesthesia. The ISJ was found dislocated while the incus was trapped by the edges of the bony lateral attic wall fracture. A small bony edge that impeded incus movement was removed and a small amount of the glue was precisely applied to the lenticular process of the incus with an angled incision knife. The long process of the incus was firmly pressed over the stapes for 30 seconds with a 90° hook and 60 seconds after the application of the glue the ISJ was repaired. One year after our patient achieved full airbone gap (ABG) closure (ABG, ≤10 dB HL), while she demonstrated overclosure in frequencies 2 and 4 kHz. Fibrin tissue glue allowed safe, rapid, and accurate repair of the ISJ and resulted in an anatomically normal articulation as the mass and shape of the ossicles was preserved. Moreover, our patient achieved full ABG closure. Copyright © 2011 The American Laryngological, Rhinological, and Otological Society, Inc.

A comparison of experimental and calculated thin-shell leading-edge buckling due to thermal stresses

NASA Technical Reports Server (NTRS)

Jenkins, Jerald M.

1988-01-01

High-temperature thin-shell leading-edge buckling test data are analyzed using NASA structural analysis (NASTRAN) as a finite element tool for predicting thermal buckling characteristics. Buckling points are predicted for several combinations of edge boundary conditions. The problem of relating the appropriate plate area to the edge stress distribution and the stress gradient is addressed in terms of analysis assumptions. Local plasticity was found to occur on the specimen analyzed, and this tended to simplify the basic problem since it effectively equalized the stress gradient from loaded edge to loaded edge. The initial loading was found to be difficult to select for the buckling analysis because of the transient nature of thermal stress. Multiple initial model loadings are likely required for complicated thermal stress time histories before a pertinent finite element buckling analysis can be achieved. The basic mode shapes determined from experimentation were correctly identified from computation.

A scanning defect mapping system for semiconductor characterization

NASA Technical Reports Server (NTRS)

Sopori, Bushnan L.

1994-01-01

We have developed an optical scanning system that generates maps of the spatial distributions of defects in single and polycrystalline silicon wafers. This instrument, called Scanning Defect Mapping System, utilizes differences in the scattering characteristics of dislocation etch pits and grain boundaries from a defect-etched sample to identify and count them. This system simultaneously operates in the dislocation mode and the grain boundary (GB) mode. In the 'dislocation mode,' the optical scattering from the etch pits is used to statistically count dislocations, while ignoring the GB's. Likewise, in the 'grain boundary mode' the system only recognizes the local scattering from the GB's to generate grain boundary distributions. The information generated by this instrument is valuable for material quality control, identifying mechanisms of defect generation and the nature of thermal stresses during the crystal growth, and the solar cell process design.

New theory for Mode I crack-tip dislocation emission

NASA Astrophysics Data System (ADS)

Andric, Predrag; Curtin, W. A.

2017-09-01

A material is intrinsically ductile under Mode I loading when the critical stress intensity KIe for dislocation emission is lower than the critical stress intensity KIc for cleavage. KIe is usually evaluated using the approximate Rice theory, which predicts a dependence on the elastic constants and the unstable stacking fault energy γusf for slip along the plane of dislocation emission. Here, atomistic simulations across a wide range of fcc metals show that KIe is systematically larger (10-30%) than predicted. However, the critical (crack tip) shear displacement is up to 40% smaller than predicted. The discrepancy arises because Mode I emission is accompanied by the formation of a surface step that is not considered in the Rice theory. A new theory for Mode I emission is presented based on the ideas that (i) the stress resisting step formation at the crack tip creates "lattice trapping" against dislocation emission such that (ii) emission is due to a mechanical instability at the crack tip. The new theory is formulated using a Peierls-type model, naturally includes the energy to form the step, and reduces to the Rice theory (no trapping) when the step energy is small. The new theory predicts a higher KIe at a smaller critical shear displacement, rationalizing deviations of simulations from the Rice theory. Specific predictions of KIe for the simulated materials, usually requiring use of the measured critical crack tip shear displacement due to complex material non-linearity, show very good agreement with simulations. An analytic model involving only γusf, the surface energy γs, and anisotropic elastic constants is shown to be quite accurate, serves as a replacement for the analytical Rice theory, and is used to understand differences between Rice theory and simulation in recent literature. The new theory highlights the role of surface steps created by dislocation emission in Mode I, which has implications not only for intrinsic ductility but also for crack tip twinning and fracture due to chemical interactions at the crack tip.

The effect of size, orientation and alloying on the deformation of AZ31 nanopillars

NASA Astrophysics Data System (ADS)

Aitken, Zachary H.; Fan, Haidong; El-Awady, Jaafar A.; Greer, Julia R.

2015-03-01

We conducted uniaxial compression of single crystalline Mg alloy, AZ31 (Al 3 wt% and Zn 1 wt%) nanopillars with diameters between 300 and 5000 nm with two distinct crystallographic orientations: (1) along the [0001] c-axis and (2) at an acute angle away from the c-axis, nominally oriented for basal slip. We observe single slip deformation for sub-micron samples nominally oriented for basal slip with the deformation commencing via a single set of parallel shear offsets. Samples compressed along the c-axis display an increase in yield strength compared to basal samples as well as significant hardening with the deformation being mostly homogeneous. We find that the "smaller is stronger" size effect in single crystals dominates any improvement in strength that may have arisen from solid solution strengthening. We employ 3D-discrete dislocation dynamics (DDD) to simulate compression along the [0001] and [ 11 2 bar 2 ] directions to elucidate the mechanisms of slip and evolution of dislocation microstructure. These simulations show qualitatively similar stress-strain signatures to the experimentally obtained stress-strain data. Simulations of compression parallel to the [ 11 2 bar 2 ] direction reveal the activation and motion of only -type dislocations and virtually no dislocation junction formation. Computations of compression along [0001] show the activation and motion of both and dislocations along with a significant increase in the formation of junctions corresponding to the interaction of intersecting pyramidal planes. Both experiments and simulation show a size effect, with a differing exponent for basal and pyramidal slip. We postulate that this anisotropy in size effect is a result of the underlying anisotropic material properties only. We discuss these findings in the context of the effective resolved shear stress relative to the unit Burgers vector for each type of slip, which reveal that the mechanism that governs size effect in this Mg-alloy is equivalent in both orientations.

Biomechanical analysis of acromioclavicular joint dislocation treated with clavicle hook plates in different lengths.

PubMed

Shih, Cheng-Min; Huang, Kui-Chou; Pan, Chien-Chou; Lee, Cheng-Hung; Su, Kuo-Chih

2015-11-01

Clavicle hook plates are frequently used in clinical orthopaedics to treat acromioclavicular joint dislocation. However, patients often exhibit acromion osteolysis and per-implant fracture after undergoing hook plate fixation. With the intent of avoiding future complications or fixation failure after clavicle hook plate fixation, we used finite element analysis (FEA) to investigate the biomechanics of clavicle hook plates of different materials and sizes when used in treating acromioclavicular joint dislocation. Using finite element analysis, this study constructed a model comprising four parts: clavicle, acromion, clavicle hook plate and screws, and used the model to simulate implanting different types of clavicle hook plates in patients with acromioclavicular joint dislocation. Then, the biomechanics of stainless steel and titanium alloy clavicle hook plates containing either six or eight screw holes were investigated. The results indicated that using a longer clavicle hook plate decreased the stress value in the clavicle, and mitigated the force that clavicle hook plates exert on the acromion. Using a clavicle hook plate material characterized by a smaller Young's modulus caused a slight increase in the stress on the clavicle. However, the external force the material imposed on the acromion was less than the force exerted on the clavicle. The findings of this study can serve as a reference to help orthopaedic surgeons select clavicle hook plates.

Triangular dislocation: an analytical, artefact-free solution

NASA Astrophysics Data System (ADS)

Nikkhoo, Mehdi; Walter, Thomas R.

2015-05-01

Displacements and stress-field changes associated with earthquakes, volcanoes, landslides and human activity are often simulated using numerical models in an attempt to understand the underlying processes and their governing physics. The application of elastic dislocation theory to these problems, however, may be biased because of numerical instabilities in the calculations. Here, we present a new method that is free of artefact singularities and numerical instabilities in analytical solutions for triangular dislocations (TDs) in both full-space and half-space. We apply the method to both the displacement and the stress fields. The entire 3-D Euclidean space {R}3 is divided into two complementary subspaces, in the sense that in each one, a particular analytical formulation fulfils the requirements for the ideal, artefact-free solution for a TD. The primary advantage of the presented method is that the development of our solutions involves neither numerical approximations nor series expansion methods. As a result, the final outputs are independent of the scale of the input parameters, including the size and position of the dislocation as well as its corresponding slip vector components. Our solutions are therefore well suited for application at various scales in geoscience, physics and engineering. We validate the solutions through comparison to other well-known analytical methods and provide the MATLAB codes.

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.

Hydrolytic weakening in olivine single crystals

NASA Astrophysics Data System (ADS)

Tielke, Jacob A.; Zimmerman, Mark E.; Kohlstedt, David L.

2017-05-01

Deformation experiments on single crystals of San Carlos olivine under hydrous conditions were performed to investigate the microphysical processes responsible for hydrolytic weakening during dislocation creep. Hydrogen was supplied to the crystals using either talc or brucite sealed in nickel capsules with the crystal. Deformation experiments were carried out using a gas medium apparatus at temperatures of 1050° to 1250°C, a confining pressure of 300 MPa, differential stresses of 45 to 294 MPa, and resultant strain rates of 1.5 × 10-6 to 4.4 × 10-4 s-1. For talc-buffered (i.e., water and orthopyroxene-buffered) samples at high temperatures, the dependence of strain rate on stress follows a power law relationship with a stress exponent (n) of ˜2.5 and an activation energy of ˜490 kJ/mol. Brucite-buffered samples deformed faster than talc-buffered samples but contained similar hydrogen concentrations, demonstrating that strain rate is influenced by orthopyroxene activity under hydrous conditions. The values of n and dependence of strain rate on orthopyroxene activity are consistent with hydrolytic weakening occurring in the climb-controlled dislocation creep regime that is associated with deformation controlled by lattice diffusion under hydrous conditions and by pipe diffusion under anhydrous conditions. Analyses of postdeformation electron-backscatter diffraction data demonstrate that dislocations with [100] Burgers vectors are dominant in the climb-controlled regime and dislocations with [001] are dominant in the glide-controlled regime. Comparison of the experimentally determined constitutive equations demonstrates that under hydrous conditions crystals deform 1 to 2 orders of magnitude faster than under anhydrous conditions.

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

PubMed Central

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.; Remington, Bruce A.; Hahn, Eric N.; More, Karren L.; Meyers, Marc A.

2017-01-01

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report here a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. We propose that germanium undergoes amorphization above a threshold stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition. PMID:28847926

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization.

PubMed

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E; Remington, Bruce A; Hahn, Eric N; More, Karren L; Meyers, Marc A

2017-09-12

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report here a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. We propose that germanium undergoes amorphization above a threshold stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.

On electrical resistivity of AISI D2 steel during various stages of cryogenic treatment

NASA Astrophysics Data System (ADS)

Lomte, Sachin Vijay; Gogte, Chandrashekhar Laxman; Peshwe, Dilip

2012-06-01

The effect of dislocation densities and residual stresses is well known in tool steels. Measurement of electrical resistivity in order to monitor dislocation densities or residual stresses has seldom been used in investigating the effect of cryogenic treatment on tool steels. Monitoring residual stresses during cryogenic treatment becomes important as it is directly related to changes due to cryogenic treatment of tool steels. For high carbon high chromium (HCHC- AISI D2) steels, not only wear resistance but dimensional stability is an important issue as the steels are extensively used in dies, precision measuring instruments. This work comprises of study of measurement of electrical resistivity of AISI D2 steel at various stages of cryogenic treatment. Use of these measurements in order to assess the dimensional stability of these steels is discussed in this paper.

High temperature behavior of B2-based ruthenium aluminide systems

NASA Astrophysics Data System (ADS)

Cao, Fang

Ru-modified NiAl-based bond coats have the potential to improve the durability of Superalloy-Thermal Barrier Coating systems (TBCs) for advanced gas turbine engines. A fundamental understanding of the high temperature mechanical behavior across the Ni-Al-Ru B2 phase field can provide direction for the development of these new bond coats for TBCs. The purpose of this study has been to describe the fundamental processes of creep deformation in single phase B2 Ru-Al-Ni ternary alloys which would form the basis for the bond coats. To accomplish this, five ternary alloys with compositions located within the B2 field across the NiAl-RuAl phase region were fabricated and investigated. Special emphasis was placed on characterizing creep deformation and describing the operative creep mechanisms in these alloys. At room temperature, brittle failure was observed in the Ni-rich alloys in compression, while improved strength and ductility were displayed in two Ru-rich ternary alloys at temperatures up to 700°C. Exceptional creep strength was observed in these alloys, as compared to other high melting temperature B2 intermetallics. A continuous increase of the melting temperature and creep resistance with the increasing of the Ru/Ni ratio in these alloys was observed. Post-creep dislocation analyses identified the presence of <100> and <110> edge dislocations in the Ni-rich alloys, while uniformly distributed jogged <100> screw dislocations predominated in the Ru-rich ternary alloys. A transition of the creep mechanism from viscous glide controlled to jogged screw motion in these Ru-Al-Ni ternary B2 alloys with increasing Ru/Ni ratio is demonstrated by the characteristics of the creep deformation process, stress change creep tests, post-creep dislocation analyses, and numerical modeling. Additionally, the knowledge of the cyclic oxidation behavior of ruthenium aluminide-based alloy is essential, as many high-temperature applications for which this intermetallic might be utilized undergo repeated severe thermal cycling. Thus the second portion of this thesis focuses on the characterization of the cyclic oxidation properties of RuAl-based alloys. The cyclic oxidation behavior of six RuAl-based alloys was studied in air over the temperature range of 1000°C to 1300°C. Oxidation kinetics have been shown to be influenced by microstructure as well as the addition of platinum.

Achieving reversibility of ultra-high mechanical stress by hydrogen loading of thin films

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

Hamm, M.; Burlaka, V.; Wagner, S.

2015-06-15

Nano-materials are commonly stabilized by supports to maintain their desired shape and size. When these nano-materials take up interstitial atoms, this attachment to the support induces mechanical stresses. These stresses can be high when the support is rigid. High stress in the nano-material is typically released by delamination from the support or by the generation of defects, e.g., dislocations. As high mechanical stress can be beneficial for tuning the nano-materials properties, it is of general interest to deduce how real high mechanical stress can be gained. Here, we show that below a threshold nano-material size, dislocation formation can be completelymore » suppressed and, when delamination is inhibited, even the ultrahigh stress values of the linear elastic limit can be reached. Specifically, for hydrogen solved in epitaxial niobium films on sapphire substrate supports a threshold film thickness of 6 nm was found and mechanical stress of up to (−10 ± 1) GPa was reached. This finding is of basic interest for hydrogen energy applications, as the hydride stability in metals itself is affected by mechanical stress. Thus, tuning of the mechanical stress-state in nano-materials may lead to improved storage properties of nano-sized materials.« less

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.

Fat Plumes May Reflect the Complex Rheology of the Lower Mantle

NASA Astrophysics Data System (ADS)

Davaille, A.; Carrez, Ph.; Cordier, P.

2018-02-01

Recent tomographic imaging of the mantle below major hot spots shows slow seismic velocities extending down to the core-mantle boundary, confirming the existence of mantle plumes. However, these plumes are much thicker than previously thought. Using new laboratory experiments and scaling laws, we show that thermal plumes developing in a visco-plastic fluid present much larger diameters than plumes developing in a Newtonian fluid. Such a rheology requiring a yield stress is consistent with a lower mantle predominantly deforming by pure dislocation climb. Yield stress values between 1 and 10 MPa, implying dislocation densities between 108 and 1010 m-2, would be sufficient to reproduce the plumes morphology observed in tomographic images.

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.

Dislocation Mobility and Anomalous Shear Modulus Effect in ^4He Crystals

NASA Astrophysics Data System (ADS)

Malmi-Kakkada, Abdul N.; Valls, Oriol T.; Dasgupta, Chandan

2017-02-01

We calculate the dislocation glide mobility in solid ^4He within a model that assumes the existence of a superfluid field associated with dislocation lines. Prompted by the results of this mobility calculation, we study within this model the role that such a superfluid field may play in the motion of the dislocation line when a stress is applied to the crystal. To do this, we relate the damping of dislocation motion, calculated in the presence of the assumed superfluid field, to the shear modulus of the crystal. As the temperature increases, we find that a sharp drop in the shear modulus will occur at the temperature where the superfluid field disappears. We compare the drop in shear modulus of the crystal arising from the temperature dependence of the damping contribution due to the superfluid field, to the experimental observation of the same phenomena in solid ^4He and find quantitative agreement. Our results indicate that such a superfluid field plays an important role in dislocation pinning in a clean solid ^4He at low temperatures and in this regime may provide an alternative source for the unusual elastic phenomena observed in solid ^4He.

High purith low defect FZ silicon

NASA Technical Reports Server (NTRS)

Kimura, H.; Robertson, G.

1985-01-01

The most common intrinsic defects in dislocation-free float zone (FZ) silicon crystals are the A- and B-type swirl defects. The mechanisms of their formation and annihilation have been extensively studied. Another type of defect in dislocation-free FZ crystals is referred to as a D-type defect. Concentrations of these defects can be minimized by optimizing the growth conditions, and the residual swirls can be reduced by the post-growth extrinsic gettering process. Czochralski (Cz) silicon wafers are known to exhibit higher resistance to slip and warpage due to thermal stress than do FZ wafers. The Cz crystals containing dislocations are more resistant to dislocation movement than dislocated FZ crystals because of the locking of dislocations by oxygen atoms present in the Cz crystals. Recently a transverse magnetic field was applied during the FZ growth of extrinsic silicon. Resultant flow patterns, as revealed by striation etching and spreading resistance in Ga-doped silicon crystals, indicate strong effects of the transverse magnetic field on the circulation within the melt. At fields of 5500 gauss, the fluid flow in the melt volume is so altered as to affect the morphology of the growing crystal.

Interface Mediated Nucleation and Growth of Dislocations in fcc-bcc nanocomposite

NASA Astrophysics Data System (ADS)

Zhang, Ruifeng; Wang, Jian; Beyerlein, Irene J.; Germann, Timothy C.

2011-03-01

Heterophase interfaces play a crucial role in determining material strength for nanostructured materials because they can block, store, nucleate, and remove dislocations, the essential defects that enable plastic deformation. Much recent theoretical and experimental effort has been conducted on nanostructured Cu-Nb multilayer composites that exhibited extraordinarily high strength, ductility, and resistance to radiation and mechanical loading. In decreasing layer thicknesses to the order of a few tens of nanometers or less, the deformation behavior of such composites is mainly controlled by the Cu/Nb interface. In this work, we focus on the cooperative mechanisms of dislocation nucleation and growth from Cu/Nb interfaces, and their interaction with interface. Two types of experimentally observed Cu/Nb incoherent interfaces are comparatively studied. We found that the preferred dislocation nucleation sites are closely related to atomic interface structure, which in turn, depend on the orientation relationship. The activation stress and energies for an isolated Shockley dislocation loop of different sizes from specific interface sites depend strongly on dislocation size, atomic interface pattern, and loading conditions. Such findings provide important insight into the mechanical response of a wide range of fcc/bcc metallic nanocomposites via atomic interface design.

RETRACTED ARTICLE: Microstructure and strengthening mechanism of Ni3Al intermetallic compound

NASA Astrophysics Data System (ADS)

Oh, Chang-Sup; Han, Chang-Suk

2013-09-01

Structural studies have been performed on precipitation hardening found in Ni3Al-base ordered alloys using transmission electron microscopy. The γ' phase hardens appreciably by the fine precipitation of disordered γ. The strength of γ' increases over the temperature range of experiment by the precipitation of fine γ particles. The peak temperature where a maximum strength was obtained shifted to higher temperature. Superlattice dislocations dissociate into fourfold Shockley partial dislocations in a uniform supersaturated solid solution of the γ' phase. Dislocations are attracted into the disordered γ phase and dissociate further in the particles. At any stage of aging, dislocations cut through the particles and the Orowan bypassing process does not occur even in the overaged stage of this alloy system. When the applied stress is removed, the dislocations make cross slip into (010) plane, while those in γ precipitates remain on the (111) primary slip plane. The increase of high temperature strength in γ' containing γ precipitates is due to the restraint of cross slip of dislocations from (111) to (010) by the dispersion of disordered γ particles. The orientation dependence of strength is decreased by the fine precipitation of a disordered γ phase.

Web Growth Used to Confine Screw Dislocations to Predetermined Lateral Positions in 4H-SiC Epilayers

NASA Technical Reports Server (NTRS)

Powell, J. Anthony; Neudeck, Philip G.; Spry, David J.; Trunek, Andrew J.; Beheim, Glenn M.

2004-01-01

Silicon-carbide- (SiC-) based power devices could enable substantial aerospace electronics benefits over today's silicon-based electronics. However, present-day SiC wafers contain electrically harmful dislocations (including micropipes) that are unpredictably distributed in high densities across all commercial 4H- and 6H-SiC wafers. The NASA Glenn Research Center recently demonstrated a crystal growth process that moves SiC wafer dislocations to predetermined lateral positions in epitaxial layers so that they can be reproducibly avoided during subsequent SiC electronic device fabrication. The process starts by reactive ion etching mesa patterns with enclosed trench regions into commercial on-axis (0001) 4H- or 6H-SiC substrates. An example of a pregrowth mesa geometry with six enclosed triangular-shaped trench regions is shown. After the etch mask is stripped, homoepitaxial growth is carried out in pure stepflow conditions that enable thin cantilevers to grow laterally from the tops of mesas whose pregrowth top surfaces are not threaded by substrate screw dislocations. The image in the bottom figure shows the postgrowth structure that forms after the lateral cantilevers expand to coalesce and completely roof over each of the six triangular trench regions. Atomic force microscope (AFM) measurements of the roof revealed that three elementary screw dislocation growth spirals, each shown in the AFM insets of the bottom image on the previous page, formed in the film roof at three respective points of cantilever film coalescence. The image above shows the structure following an etch in molten potassium hydroxide (KOH) that produced surface etch pits at the dislocation defects. The larger KOH etch pits--S1, S2, and S3--shown in this image correspond to screw dislocations relocated to the final points of cantilever coalescence. The smaller KOH etch pits are consistent with epilayer threading edge dislocations from the pregrowth substrate mesa (P1, P3, and P4) and a final cantilever coalescence point (P2). No defects (i.e., no etch pits) are observed in other cantilevered portions of the film surface. On the basis of the principle of dislocation Burgers vector conservation, we hypothesize that all vertically propagating substrate dislocations in an enclosed trench region become combined into a single dislocation in the webbed film roof at the point of final roof coalescence. The point of final roof coalescence, and therefore the lateral location of a webbed roof dislocation, can be designed into the pregrowth mesa pattern. Screw dislocations with predetermined lateral positions can then be used to provide the new growth steps necessary for growing a 4H/6H-SiC epilayer with a lower dislocation density than the substrate. Devices fabricated on top of such films can be positioned to avoid the preplaced dislocations.

Relationship of mechanical characteristics and microstructural features to the time-dependent edge notch sensitivity of inconel 718 sheet

NASA Technical Reports Server (NTRS)

Wilson, D. J.

1971-01-01

Time-dependent notch sensitivity of Inconel 718 sheet was observed at 900 F to 1200 F (482 - 649 C). It occurred when edge-notched specimens were loaded below the yield strength and smooth specimen tests showed that small amounts of creep consumed large rupture life fractions. The severity of the notch sensitivity was reduced by decreasing the solution temperature, increasing the time and/or temperature of aging and increasing the test temperature to 1400 F (760 C). Elimination of time-dependent notch sensitivity correlated with a change in dislocation motion mechanism from shearing to by-passing precipitate particles.

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.

Mechanism and energetics of dislocation cross-slip in hcp metals

NASA Astrophysics Data System (ADS)

Wu, Zhaoxuan; Curtin, W. A.

2016-10-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

The Strength of Binary Junctions in Hexagonal Close-Packed Crystals

DTIC Science & Technology

2014-03-01

equilib- rium, on either slip plane, the dislocation on that plane intersects both triple points at the same angle with the junc- tion line, regardless...electronic properties of threading dislocations in wide band-gap gallium nitride (a wurtzite crystal structure consisting of two interpenetrating hcp...yield surface was composed of individual points , it pro- vided insight on the resistance of the lock to breaking as a result of the applied stresses. Via

Interlaminar stress singularities at a straight free edge in composite laminates

NASA Technical Reports Server (NTRS)

Raju, I. S.; Crews, J. H., Jr.

1981-01-01

A quasi-three-dimensional finite-element analysis was used to analyze the edge-stress problem in four-ply, composite laminates. The seven laminates that were considered belong to the laminate family where the outer ply angle is between 0 and 90 deg. Systematic convergence studies were made to explore the existence of stress singularities near the free edge. The present analysis appears to confirm the existence of stress singularities at the intersection of the interface and the free edge. The power of the stress singularity was the same for all seven laminates considered.

Modeling the Temperature Rise at the Tip of a Fast Crack

DTIC Science & Technology

1989-08-01

plastic deformation in the plastic zone, the strain rate and the temperature dependence of the flow stress have been incorporated in the determination ...of dislocation generation in the plastic zone. The stress field 1 associated with a moving elastic crack tip is used to determine the increment of...yield stress and the crack tip stress field for a given mode of the applied stress. The fracture toughness of several materials, determined

Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress.

PubMed

Kim, Chang-Wan; Dai, Mai Duc; Eom, Kilho

2016-01-01

We have studied the finite-size effect on the dynamic behavior of graphene resonators and their applications in atomic mass detection using a continuum elastic model such as modified plate theory. In particular, we developed a model based on von Karman plate theory with including the edge stress, which arises from the imbalance between the coordination numbers of bulk atoms and edge atoms of graphene. It is shown that as the size of a graphene resonator decreases, the edge stress depending on the edge structure of a graphene resonator plays a critical role on both its dynamic and sensing performances. We found that the resonance behavior of graphene can be tuned not only through edge stress but also through nonlinear vibration, and that the detection sensitivity of a graphene resonator can be controlled by using the edge stress. Our study sheds light on the important role of the finite-size effect in the effective design of graphene resonators for their mass sensing applications.

Non-free gas of dipoles of non-singular screw dislocations and the shear modulus near the melting

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

Malyshev, Cyril, E-mail: malyshev@pdmi.ras.ru

2014-12-15

The behavior of the shear modulus caused by proliferation of dipoles of non-singular screw dislocations with finite-sized core is considered. The representation of two-dimensional Coulomb gas with smoothed-out coupling is used, and the stress–stress correlation function is calculated. A convolution integral expressed in terms of the modified Bessel function K{sub 0} is derived in order to obtain the shear modulus in approximation of interacting dipoles. Implications are demonstrated for the shear modulus near the melting transition which are due to the singularityless character of the dislocations. - Highlights: • Thermodynamics of dipoles of non-singular screw dislocations is studied below themore » melting. • The renormalization of the shear modulus is obtained for interacting dipoles. • Dependence of the shear modulus on the system scales is presented near the melting.« less

Shear-Coupled Grain Growth and Texture Development in a Nanocrystalline Ni-Fe Alloy during Cold Rolling

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

Li, Li; Ungár, Tamás; Toth, Laszlo S.

The evolution of texture, grain size, grain shape, dislocation and twin density has been determined by synchrotron X-ray diffraction and line profile analysis in a nanocrystalline Ni- Fe alloy after cold rolling along different directions related to the initial fiber and the long axis of grains. The texture evolution has been simulated by the Taylor-type relaxed constraints viscoplastic polycrystal model. The simulations were based on the activity of partial dislocations in correlation with the experimental results of dislocation density determination. The concept of stress-induced shear-coupling is supported and strengthened by both the texture simulations and the experimentally determined evolution ofmore » the microstructure parameters. Grain-growth and texture evolution are shown to proceed by the shear-coupling mechanism supported by dislocation activity as long as the grain size is not smaller than about 20 nm.« less

Primary creep deformation behaviors related with lamellar interface in TiAl alloy

NASA Astrophysics Data System (ADS)

Cho, Han Seo; Nam, Soo Woo; Kim, Young-Won

1998-02-01

Constant tensile stress creep tests under the condition of 760 816°C/172 276 MPa in an air environment are conducted, and the microstructural evolution during primary creep deformation at the creep condition of 816°C/172 MPa was observed by transmission electron microscopy (TEM) for the lamellar structured Ti-45. 5Al-2Cr-2.6Nb-0.17W-0.lB-0.2C-0.15Si (at.%) alloy. The amount of creep strain deformed during primary creep stage is considered to be the summation of the strains occurred by gliding of initial dislocations and of newly generated dislocations. Creep rate controlling process within the primary stage seems to be shifting from the initial dislocation climb controlled to the generation of the new dislocations by the phase transformation of 2 to as creep strain increases.

[Study on the effect of vertebrae semi-dislocation on the stress distribution in facet joint and interuertebral disc of patients with cervical syndrome based on the three dimensional finite element model].

PubMed

Zhang, Ming-cai; Lü, Si-zhe; Cheng, Ying-wu; Gu, Li-xu; Zhan, Hong-sheng; Shi, Yin-yu; Wang, Xiang; Huang, Shi-rong

2011-02-01

To study the effect of vertebrae semi-dislocation on the stress distribution in facet joint and interuertebral disc of patients with cervical syndrome using three dimensional finite element model. A patient with cervical spondylosis was randomly chosen, who was male, 28 years old, and diagnosed as cervical vertebra semidislocation by dynamic and static palpation and X-ray, and scanned from C(1) to C(7) by 0.75 mm slice thickness of CT. Based on the CT data, the software was used to construct the three dimensional finite element model of cervical vertebra semidislocation (C(4)-C(6)). Based on the model,virtual manipulation was used to correct the vertebra semidislocation by the software, and the stress distribution was analyzed. The result of finite element analysis showed that the stress distribution of C(5-6) facet joint and intervertebral disc changed after virtual manipulation. The vertebra semidislocation leads to the abnormal stress distribution of facet joint and intervertebral disc.

Comparison of mechanical and microstructural properties of conventional and severe plastic deformation processes

NASA Astrophysics Data System (ADS)

Szombathelyi, V.; Krallics, Gy

2014-08-01

The effect of the deformation processes on yield stress, Vickers microhardness and dislocation density were investigated using commercial purity (A1050) and alloyed aluminum (Al 6082). For the evolution of the dislocation density X-ray line profile analysis was used. In the large plastic strain range the variation of mechanical and microstructure evolution of A1050 and of Al 6082 processed by equal channel angular pressing are investigated using route BC and route C. In the plastic strain range up to 3 plane strain compression test was used to evaluate mechanical properties. The hardness and the yield stress showed a sharp increase after the first pass. In the case of A1050 it was found that the two examined routes has not resulted difference in the flow stress. In the case of Al 6082 the effect of the routes on the yield stress is significant. The present results showed that in the comparable plastic strain range higher yield stress values can be achieved by plane strain compression test than by ECAP.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study.

PubMed

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-06-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and 'relaxed' after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal.

Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study1

PubMed Central

Dupraz, Maxime; Beutier, Guillaume; Rodney, David; Mordehai, Dan; Verdier, Marc

2015-01-01

Crystal defects induce strong distortions in diffraction patterns. A single defect alone can yield strong and fine features that are observed in high-resolution diffraction experiments such as coherent X-ray diffraction. The case of face-centred cubic nanocrystals is studied numerically and the signatures of typical defects close to Bragg positions are identified. Crystals of a few tens of nanometres are modelled with realistic atomic potentials and ‘relaxed’ after introduction of well defined defects such as pure screw or edge dislocations, or Frank or prismatic loops. Diffraction patterns calculated in the kinematic approximation reveal various signatures of the defects depending on the Miller indices. They are strongly modified by the dissociation of the dislocations. Selection rules on the Miller indices are provided, to observe the maximum effect of given crystal defects in the initial and relaxed configurations. The effect of several physical and geometrical parameters such as stacking fault energy, crystal shape and defect position are discussed. The method is illustrated on a complex structure resulting from the simulated nanoindentation of a gold nanocrystal. PMID:26089755

Microstructure of calcite deformed by high-pressure torsion: An X-ray line profile study

NASA Astrophysics Data System (ADS)

Schuster, Roman; Schafler, Erhard; Schell, Norbert; Kunz, Martin; Abart, Rainer

2017-11-01

Calcite aggregates were deformed to high strain using high-pressure torsion and applying confining pressures of 1-6 GPa and temperatures between room temperature and 450 °C. The run products were characterized by X-ray diffraction, and key microstructural parameters were extracted employing X-ray line profile analysis. The dominant slip system was determined as r { 10 1 bar 4 } ⟨ 2 bar 021 ⟩ with edge dislocation character. The resulting dislocation density and the size of the coherently scattering domains (CSD) exhibit a systematic dependence on the P-T conditions of deformation. While high pressure generally impedes recovery through reducing point defect mobility, the picture is complicated by pressure-induced phase transformations in the CaCO3 system. Transition from the calcite stability field to those of the high-pressure polymorphs CaCO3-II, CaCO3-III and CaCO3-IIIb leads to a change of the microstructural evolution with deformation. At 450 °C and pressures within the calcite stability field, dislocation densities and CSD sizes saturate at shear strains exceeding 10 in agreement with earlier studies at lower pressures. In the stability field of CaCO3-II, the dislocation density exhibits a more complex behavior. Furthermore, at a given strain and strain rate, the dislocation density increases and the CSD size decreases with increasing pressure within the stability fields of either calcite or of the high-pressure polymorphs. There is, however, a jump from high dislocation densities and small CSDs in the upper pressure region of the calcite stability field to lower dislocation densities and larger CSDs in the low-pressure region of the CaCO3-II stability field. This jump is more pronounced at higher temperatures and less so at room temperature. The pressure influence on the deformation-induced evolution of dislocation densities implies that pressure variations may change the rheology of carbonate rocks. In particular, a weakening is expected to occur at the transition from the calcite to the CaCO3-II stability field, if aragonite does not form.

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.

Mechanical properties of β-HMX.

PubMed

Gallagher, Hugh G; Miller, John C; Sheen, David B; Sherwood, John N; Vrcelj, Ranko M

2015-01-01

For a full understanding of the mechanical properties of a material, it is essential to understand the defect structures and associated properties and microhardness indentation is a technique that can aid this understanding. The Vickers hardness on (010), {011} and {110} faces lay in the range of 304-363 MPa. The Knoop Hardnesses on the same faces lay in the range 314-482 MPa. From etching of three indented surfaces, the preferred slip planes have been identified as (001) and (101). For a dislocation glide, the most likely configuration for dislocation movement on the (001) planes is (001) [100] (|b| = 0.65 nm) and for the (101) plane as (101) [Formula: see text] (|b| = 1.084 nm) although (101) [010] (|b| = 1.105 nm) is possible. Tensile testing showed that at a stress value of 2.3 MPa primary twinning occurred and grew with increasing stress. When the stress was relaxed, the twins decreased in size, but did not disappear. The twinning shear strain was calculated to be 0.353 for the (101) twin plane. HMX is considered to be brittle, compared to other secondary explosives. Comparing HMX with a range of organic solids, the values for hardness numbers are similar to those of other brittle systems. Under the conditions developed beneath a pyramidal indenter, dislocation slip plays a major part in accommodating the local deformation stresses. Graphical abstractHMX undergoing tensile testing.

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

DOE PAGES

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.; ...

2017-08-28

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. Here, we propose that germanium undergoes amorphization above a thresholdmore » stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.« less

Mesoscale Thermodynamic Analysis of Atomic-Scale Dislocation-Obstacle Interactions Simulated by Molecular Dynamics

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

Monet, Giath; Bacon, David J; Osetskiy, Yury N

2010-01-01

Given the time and length scales in molecular dynamics (MD) simulations of dislocation-defect interactions, quantitative MD results cannot be used directly in larger scale simulations or compared directly with experiment. A method to extract fundamental quantities from MD simulations is proposed here. The first quantity is a critical stress defined to characterise the obstacle resistance. This mesoscopic parameter, rather than the obstacle 'strength' designed for a point obstacle, is to be used for an obstacle of finite size. At finite temperature, our analyses of MD simulations allow the activation energy to be determined as a function of temperature. The resultsmore » confirm the proportionality between activation energy and temperature that is frequently observed by experiment. By coupling the data for the activation energy and the critical stress as functions of temperature, we show how the activation energy can be deduced at a given value of the critical stress.« less

Cyclic softening based on dislocation annihilation at sub-cell boundary for SA333 Grade-6 C-Mn steel

NASA Astrophysics Data System (ADS)

Bhattacharjee, S.; Dhar, S.; Acharyya, S. K.; Gupta, S. K.

2018-01-01

In this work, the response of SA333 Grade-6 C-Mn steel subjected to uniaxial and in-phase biaxial tension-torsion cyclic loading is experimented and an attempt is made to model the material behaviour. Experimentally observed cyclic softening is modelled based on ‘dislocation annihilation at low angle grain boundary’, while Ohno-Wang kinematic hardening rule is used to simulate the stress-strain hysteresis loops. The relevant material parameters are extracted from the appropriate experimental results and metallurgical investigations. The material model is plugged as user material subroutine into ABAQUS FE platform to simulate pre-saturation low cycle fatigue loops with cyclic softening and other cyclic plastic behaviour under prescribed loading. The stress-strain hysteresis loops and peak stress with cycles were compared with the experimental results and good agreements between experimental and simulated results validated the material model.

Generating gradient germanium nanostructures by shock-induced amorphization and crystallization

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

Zhao, Shiteng; Kad, Bimal; Wehrenberg, Christopher E.

Gradient nanostructures are attracting considerable interest due to their potential to obtain superior structural and functional properties of materials. Applying powerful laser-driven shocks (stresses of up to one-third million atmospheres, or 33 gigapascals) to germanium, we report a complex gradient nanostructure consisting of, near the surface, nanocrystals with high density of nanotwins. Beyond there, the structure exhibits arrays of amorphous bands which are preceded by planar defects such as stacking faults generated by partial dislocations. At a lower shock stress, the surface region of the recovered target is completely amorphous. Here, we propose that germanium undergoes amorphization above a thresholdmore » stress and that the deformation-generated heat leads to nanocrystallization. These experiments are corroborated by molecular dynamics simulations which show that supersonic partial dislocation bursts play a role in triggering the crystalline-to-amorphous transition.« less

Modeling Long-term Creep Performance for Welded Nickel-base Superalloy Structures for Power Generation Systems

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

Shen, Chen

2015-01-01

We report here a constitutive model for predicting long-term creep strain evolution in’ strengthened Ni-base superalloys. Dislocation climb-bypassing’, typical in intermediate’ volume fraction (~20%) alloys, is considered as the primary deformation mechanism. Dislocation shearing’ to anti-phase boundary (APB) faults and diffusional creep are also considered for high-stress and high-temperature low-stress conditions, respectively. Additional damage mechanism is taken into account for rapid increase in tertiary creep strain. The model has been applied to Alloy 282, and calibrated in a temperature range of 1375-1450°F, and stress range of 15-45ksi. The model parameters and a MATLAB code are provided. This report is preparedmore » by Monica Soare and Chen Shen at GE Global Research. Technical discussions with Dr. Vito Cedro are greatly appreciated. This work was supported by DOE program DE-FE0005859« less

Improved crystalline quality of AlN epitaxial layer on sapphire by introducing TMGa pulse flow into the nucleation stage

NASA Astrophysics Data System (ADS)

Wu, Hualong; Wang, Hailong; Chen, Yingda; Zhang, Lingxia; Chen, Zimin; Wu, Zhisheng; Wang, Gang; Jiang, Hao

2018-05-01

The crystalline quality of AlN epitaxial layers on sapphire substrates was improved by introducing trimethylgallium (TMGa) pulse flow into the growth of AlN nucleation layers. It was found that the density of both screw- and edge-type threading dislocations could be significantly reduced by introducing the TMGa pulse flow. With increasing TMGa pulse flow times, the lateral correlation length (i.e. the grain size) increases and the strain in the AlN epilayers changes from tensile state to compressive state. Unstrained AlN with the least dislocations and a smooth surface was obtained by introducing 2-times TMGa pulse flow. The crystalline improvement is attributed to enhanced lateral growth and improved crystalline orientation by the TMGa pulse flow.

Plastic deformation of tubular crystals by dislocation glide.

PubMed

Beller, Daniel A; Nelson, David R

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

The role of twinning deformation on the hardening response of polycrystalline magnesium from discrete dislocation dynamics simulations

DOE PAGES

Fan, Haidong; Aubry, Sylvie; Arsenlis, Athanasios; ...

2015-04-13

The mechanical response of micro-twinned polycrystalline magnesium was studied through three-dimensional discrete dislocation dynamics (DDD). A systematic interaction model between dislocations and (1012) tension twin boundaries (TBs) was proposed and introduced into the DDD framework. In addition, a nominal grain boundary (GB) model agreeing with experimental results was also introduced to mimic the GB’s barrier effect. The current simulation results show that TBs act as a strong obstacle to gliding dislocations, which contributes significantly to the hardening behavior of magnesium. On the other hand, the deformation accommodated by twinning plays a softening role. Therefore, the concave shape of the Mgmore » stress-strain curve results from the competition between dislocation-TB induced hardening and twinning deformation induced softening. At low strain levels, twinning deformation induced softening dominates and a decreasing hardening rate is observed in Stage-I. In Stage-II, both the hardening and softening effects decline, but twinning deformation induced softening declines faster, which leads to an increasing hardening rate.« less

Plastic deformation of tubular crystals by dislocation glide

NASA Astrophysics Data System (ADS)

Beller, Daniel A.; Nelson, David R.

2016-09-01

Tubular crystals, two-dimensional lattices wrapped into cylindrical topologies, arise in many contexts, including botany and biofilaments, and in physical systems such as carbon nanotubes. The geometrical principles of botanical phyllotaxis, describing the spiral packings on cylinders commonly found in nature, have found application in all these systems. Several recent studies have examined defects in tubular crystals associated with crystalline packings that must accommodate a fixed tube radius. Here we study the mechanics of tubular crystals with variable tube radius, with dislocations interposed between regions of different phyllotactic packings. Unbinding and separation of dislocation pairs with equal and opposite Burgers vectors allow the growth of one phyllotactic domain at the expense of another. In particular, glide separation of dislocations offers a low-energy mode for plastic deformations of solid tubes in response to external stresses, reconfiguring the lattice step by step. Through theory and simulation, we examine how the tube's radius and helicity affects, and is in turn altered by, the mechanics of dislocation glide. We also discuss how a sufficiently strong bending rigidity can alter or arrest the deformations of tubes with small radii.

Anisotropic plasticity of MgSiO3 post-perovskite from atomic scale modeling

NASA Astrophysics Data System (ADS)

Goryaeva, Alexandra; Carrez, Philippe; Cordier, Patrick

2016-04-01

In contrast to the lower mantle, the D″ layer exhibits significant seismic anisotropy both at the global and local scale [1]. Located right above the CMB, the D'' represents a very complex region and the causes of its pronounced anisotropy are still debated (CPO, oriented inclusions, layering, thermo-chemical heterogeneities etc). Among them, contribution of the post-perovskite rheology is commonly considered to be substantial. However, for this high-pressure phase, information about mechanical properties, probable slip systems, dislocations and their behavior under stress are still extremely challenging to obtain directly from experiments [3, 4]. Thus, we propose employing full atomistic modeling (based on the pairwise potential previously derived by [2]) to access the ability of MgSiO3 post-perovskite to deform by dislocation glide at 120 GPa. Lattice friction opposed to the dislocation glide in MgSiO3 post-perovskite is shown to be highly anisotropic. Thus, remarkably low values of Peierls stress (1 GPa) are found for the glide of [100] screw dislocations in (010), while glide in (001) requires almost 18 times larger stress values. In general, (010) plane is characterized by the lowest lattice friction which suggests (010) deformation textures. Comparison of our results with previous study of MgSiO3 perovskite (bridgmanite) [5], based on similar simulation approach, clearly shows that monotonous increase in Peierls stress of bridgmanite will be followed by a dramatic drop after the phase transition to the post-perovskite phase, which consequently suggests the D'' located at the CMB to be weaker than the overlying mantle. In addition to that, the observed evolution of CRSS with temperature clearly demonstrates that post-perovskite deforms in the athermal regime which backs up it to be a very weak phase and indicates its deformation by dislocation glide in contrast to high-lattice friction perovskite (bridgmanite) phase deformed by climb only. References [1] Panning M. and Romanowicz B., Geophys. J. Int., (2006), 167:361-379. [2] Oganov A. et al., Phys. Earth Planet. Int. (2000), 122:277-288. [3] Merkel S. et al. Science (2007), 316:1729-1732. [4] Miyagi L. et al. Science (2010), 329:1639-1641. [5] Hirel P. et al., Acta Mater (2014), 79:117-125.

Dwell fatigue in two Ti alloys: An integrated crystal plasticity and discrete dislocation study

NASA Astrophysics Data System (ADS)

Zheng, Zebang; Balint, Daniel S.; Dunne, Fionn P. E.

2016-11-01

It is a well known and important problem in the aircraft engine industry that alloy Ti-6242 shows a significant reduction in fatigue life, termed dwell debit, if a stress dwell is included in the fatigue cycle, whereas Ti-6246 does not; the mechanistic explanation for the differing dwell debit of these alloys has remained elusive for decades. In this work, crystal plasticity modelling has been utilised to extract the thermal activation energies for pinned dislocation escape for both Ti alloys based on independent experimental data. This then allows the markedly different cold creep responses of the two alloys to be captured accurately and demonstrates why the observed near-identical rate sensitivity under non-dwell loading is entirely consistent with the dwell behaviour. The activation energies determined are then utilised within a recently developed thermally-activated discrete dislocation plasticity model to predict the strain rate sensitivities of the two alloys associated with nano-indentation into basal and prism planes. It is shown that Ti-6242 experiences a strong crystallographic orientation-dependent rate sensitivity while Ti-6246 does not which is shown to agree with recently published independent measurements; the dependence of rate sensitivity on indentation slip plane is also well captured. The thermally-activated discrete dislocation plasticity model shows that the incorporation of a stress dwell in fatigue loading leads to remarkable stress redistribution from soft to hard grains in the classical cold dwell fatigue rogue grain combination in alloy Ti-6242, but that no such load shedding occurs in alloy Ti-6246. The key property controlling the behaviour is the time constant of the thermal activation process relative to that of the loading. This work provides the first mechanistic basis to explain why alloy Ti-6242 shows a dwell debit but Ti-6246 does not.

A Dislocation Model of Seismic Wave Attenuation and Micro-creep in the Earth: Harold Jeffreys and the Rheology of the Solid Earth

NASA Astrophysics Data System (ADS)

Karato, S.

A microphysical model of seismic wave attenuation is developed to provide a physical basis to interpret temperature and frequency dependence of seismic wave attenuation. The model is based on the dynamics of dislocation motion in minerals with a high Peierls stress. It is proposed that most of seismic wave attenuation occurs through the migration of geometrical kinks (micro-glide) and/or nucleation/migration of an isolated pair of kinks (Bordoni peak), whereas the long-term plastic deformation involves the continuing nucleation and migration of kinks (macro-glide). Kink migration is much easier than kink nucleation, and this provides a natural explanation for the vast difference in dislocation mobility between seismic and geological time scales. The frequency and temperature dependences of attenuation depend on the geometry and dynamics of dislocation motion both of which affect the distribution of relaxation times. The distribution of relaxation times is largely controlled by the distribution in distance between pinning points of dislocations, L, and the observed frequency dependence of Q, Q, Q ωα is shown to require a distribution function of P(L) L-m with m=4-2α The activation energy of Q-1 in minerals with a high Peierls stress corresponds to that for kink nucleation and is similar to that of long-term creep. The observed large lateral variation in Q-1 strongly suggests that the Q-1 in the mantle is frequency dependent. Micro-deformation with high dislocation mobility will (temporarily) cease when all the geometrical kinks are exhausted. For a typical dislocation density of 108 m-2, transient creep with small viscosity related to seismic wave attenuation will persist up to the strain of 10-6, thus even a small strain ( 10-6-10-4) process such as post-glacial rebound is only marginally affected by this type of anelastic relaxation. At longer time scales continuing nucleation of kinks becomes important and enables indefinitely large strain, steady-state creep, causing viscous behavior.

A Continuum-Atomistic Analysis of Transgranular Crack Propagation in Aluminum

NASA Technical Reports Server (NTRS)

Yamakov, V.; Saether, E.; Glaessgen, E.

2009-01-01

A concurrent multiscale modeling methodology that embeds a molecular dynamics (MD) region within a finite element (FEM) domain is used to study plastic processes at a crack tip in a single crystal of aluminum. The case of mode I loading is studied. A transition from deformation twinning to full dislocation emission from the crack tip is found when the crack plane is rotated around the [111] crystallographic axis. When the crack plane normal coincides with the [112] twinning direction, the crack propagates through a twinning mechanism. When the crack plane normal coincides with the [011] slip direction, the crack propagates through the emission of full dislocations. In intermediate orientations, a transition from full dislocation emission to twinning is found to occur with an increase in the stress intensity at the crack tip. This finding confirms the suggestion that the very high strain rates, inherently present in MD simulations, which produce higher stress intensities at the crack tip, over-predict the tendency for deformation twinning compared to experiments. The present study, therefore, aims to develop a more realistic and accurate predictive modeling of fracture processes.

Molecular dynamics modeling and simulation of void growth in two dimensions

NASA Astrophysics Data System (ADS)

Chang, H.-J.; Segurado, J.; Rodríguez de la Fuente, O.; Pabón, B. M.; LLorca, J.

2013-10-01

The mechanisms of growth of a circular void by plastic deformation were studied by means of molecular dynamics in two dimensions (2D). While previous molecular dynamics (MD) simulations in three dimensions (3D) have been limited to small voids (up to ≈10 nm in radius), this strategy allows us to study the behavior of voids of up to 100 nm in radius. MD simulations showed that plastic deformation was triggered by the nucleation of dislocations at the atomic steps of the void surface in the whole range of void sizes studied. The yield stress, defined as stress necessary to nucleate stable dislocations, decreased with temperature, but the void growth rate was not very sensitive to this parameter. Simulations under uniaxial tension, uniaxial deformation and biaxial deformation showed that the void growth rate increased very rapidly with multiaxiality but it did not depend on the initial void radius. These results were compared with previous 3D MD and 2D dislocation dynamics simulations to establish a map of mechanisms and size effects for plastic void growth in crystalline solids.

Dislocation structure in textured zirconium tensile-deformed along rolling and transverse directions determined by X-ray diffraction line profile analysis

NASA Astrophysics Data System (ADS)

Fan, Zhijian; Jóni, Bertalan; Xie, Lei; Ribárik, Gábor; Ungár, Tamás

2018-04-01

Specimens of cold-rolled zirconium were tensile-deformed along the rolling (RD) and the transverse (TD) directions. The stress-strain curves revealed a strong texture dependence. High resolution X-ray line profile analysis was used to determine the prevailing active slip-systems in the specimens with different textures. The reflections in the X-ray diffraction patterns were separated into two groups. One group corresponds to the major and the other group to the random texture component, respectively. The dislocation densities, the subgrain size and the prevailing active slip-systems were evaluated by using the convolutional multiple whole profile (CMWP) procedure. These microstructure parameters were evaluated separately in the two groups of reflections corresponding to the two different texture components. Significant differences were found in both, the evolution of dislocation densities and the development of the fractions of and type slip systems in the RD and TD specimens during tensile deformation. The differences between the RD and TD stress-strain curves are discussed in terms of the differences of the microstructure evolution.

From Modeling of Plasticity in Single-Crystal Superalloys to High-Resolution X-rays Three-Crystal Diffractometer Peaks Simulation

NASA Astrophysics Data System (ADS)

Jacques, Alain

2016-12-01

The dislocation-based modeling of the high-temperature creep of two-phased single-crystal superalloys requires input data beyond strain vs time curves. This may be obtained by use of in situ experiments combining high-temperature creep tests with high-resolution synchrotron three-crystal diffractometry. Such tests give access to changes in phase volume fractions and to the average components of the stress tensor in each phase as well as the plastic strain of each phase. Further progress may be obtained by a new method making intensive use of the Fast Fourier Transform, and first modeling the behavior of a representative volume of material (stress fields, plastic strain, dislocation densities…), then simulating directly the corresponding diffraction peaks, taking into account the displacement field within the material, chemical variations, and beam coherence. Initial tests indicate that the simulated peak shapes are close to the experimental ones and are quite sensitive to the details of the microstructure and to dislocation densities at interfaces and within the soft γ phase.

Dislocation dynamics modelling of the ductile-brittle-transition

NASA Astrophysics Data System (ADS)

Hennecke, Thomas; Hähner, Peter

2009-07-01

Many materials like silicon, tungsten or ferritic steels show a transition between high temperature ductile fracture with stable crack grow and high deformation energy absorption and low temperature brittle fracture in an unstable and low deformation mode, the ductile-brittle-transition. Especially in steels, the temperature transition is accompanied by a strong increase of the measured fracture toughness over a certain temperature range and strong scatter in the toughness data in this transition regime. The change in fracture modes is affected by dynamic interactions between dislocations and the inhomogeneous stress fields of notches and small cracks. In the present work a dislocation dynamics model for the ductile-brittle-transition is proposed, which takes those interactions into account. The model can explain an increase with temperature of apparent toughness in the quasi-brittle regime and different levels of scatter in the different temperature regimes. Furthermore it can predict changing failure sites in materials with heterogeneous microstructure. Based on the model, the effects of crack tip blunting, stress state, external strain rate and irradiation-induced changes in the plastic flow properties can be discussed.

Transformation-Induced, Geometrically Necessary, Dislocation-Based Flow Curve Modeling of Dual-Phase Steels: Effect of Grain Size

NASA Astrophysics Data System (ADS)

Ramazani, Ali; Mukherjee, Krishnendu; Prahl, Ulrich; Bleck, Wolfgang

2012-10-01

The flow behavior of dual-phase (DP) steels is modeled on the finite-element method (FEM) framework on the microscale, considering the effect of the microstructure through the representative volume element (RVE) approach. Two-dimensional RVEs were created from microstructures of experimentally obtained DP steels with various ferrite grain sizes. The flow behavior of single phases was modeled through the dislocation-based work-hardening approach. The volume change during austenite-to-martensite transformation was modeled, and the resultant prestrained areas in the ferrite were considered to be the storage place of transformation-induced, geometrically necessary dislocations (GNDs). The flow curves of DP steels with varying ferrite grain sizes, but constant martensite fractions, were obtained from the literature. The flow curves of simulations that take into account the GND are in better agreement with those of experimental flow curves compared with those of predictions without consideration of the GND. The experimental results obeyed the Hall-Petch relationship between yield stress and flow stress and the simulations predicted this as well.

Microstructural characteristics of adiabatic shear localization in a metastable beta titanium alloy deformed at high strain rate and elevated temperatures

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

Zhan, Hongyi, E-mail: h.zhan@uq.edu.au; Zeng, Weidong; Wang, Gui

2015-04-15

The microstructural evolution and grain refinement within adiabatic shear bands in the Ti6554 alloy deformed at high strain rates and elevated temperatures have been characterized using transmission electron microscopy. No stress drops were observed in the corresponding stress–strain curve, indicating that the initiation of adiabatic shear bands does not lead to the loss of load capacity for the Ti6554 alloy. The outer region of the shear bands mainly consists of cell structures bounded by dislocation clusters. Equiaxed subgrains in the core area of the shear band can be evolved from the subdivision of cell structures or reconstruction and transverse segmentationmore » of dislocation clusters. It is proposed that dislocation activity dominates the grain refinement process. The rotational recrystallization mechanism may operate as the kinetic requirements for it are fulfilled. The coexistence of different substructures across the shear bands implies that the microstructural evolution inside the shear bands is not homogeneous and different grain refinement mechanisms may operate simultaneously to refine the structure. - Graphical abstract: Display Omitted - Highlights: • The microstructure within the adiabatic shear band was characterized by TEM. • No stress drops were observed in the corresponding stress–strain curve. • Dislocation activity dominated the grain refinement process. • The kinetic requirements for rotational recrystallization mechanism were fulfilled. • Different grain refinement mechanisms operated simultaneously to refine the structure.« less

Mechanical properties of nano and bulk Fe pillars using molecular dynamics and dislocation dynamics simulation

NASA Astrophysics Data System (ADS)

Nath, S. K. Deb

2017-10-01

Using molecular dynamics simulation, tension and bending tests of a Fe nanopillar are carried out to obtain its Young's modulus and yield strength. Then the comparative study of Young's modulus and yield strength of a Fe nanopillar under bending and tension are carried out varying its diameter in the range of diameter 1-15nm. We find out the reasons why bending Young's modulus and yield strength of a Fe nanopillar are higher than those of tension Young's modulus and yield strength of a Fe nanopillar. Using the mobility parameters of bulk Fe from the experimental study [N. Urabe and J. Weertman, Materials Science and Engineering 18, 41 (1975)], its temperature dependent stress-strain relationship, yield strength and strain hardening modulus are obtained from the dislocation dynamics simulations. Strain rate dependent yield strength and strain hardening modulus of bulk Fe pillars under tension are studied. Temperature dependent creep behaviors of bulk Fe pillars under tension are also studied. To verify the soundness of the present dislocation dynamics studies of the mechanical properties of bulk Fe pillars under tension, the stress vs. strain relationship and dislocation density vs. strain of bulk Fe pillars obtained by us are compared with the published results obtained by S. Queyreau, G. Monnet, and B. Devincre, International Journal of Plasticity 25, 361 (2009).

Singularity-free dislocation dynamics with strain gradient elasticity

NASA Astrophysics Data System (ADS)

Po, Giacomo; Lazar, Markus; Seif, Dariush; Ghoniem, Nasr

2014-08-01

The singular nature of the elastic fields produced by dislocations presents conceptual challenges and computational difficulties in the implementation of discrete dislocation-based models of plasticity. In the context of classical elasticity, attempts to regularize the elastic fields of discrete dislocations encounter intrinsic difficulties. On the other hand, in gradient elasticity, the issue of singularity can be removed at the outset and smooth elastic fields of dislocations are available. In this work we consider theoretical and numerical aspects of the non-singular theory of discrete dislocation loops in gradient elasticity of Helmholtz type, with interest in its applications to three dimensional dislocation dynamics (DD) simulations. The gradient solution is developed and compared to its singular and non-singular counterparts in classical elasticity using the unified framework of eigenstrain theory. The fundamental equations of curved dislocation theory are given as non-singular line integrals suitable for numerical implementation using fast one-dimensional quadrature. These include expressions for the interaction energy between two dislocation loops and the line integral form of the generalized solid angle associated with dislocations having a spread core. The single characteristic length scale of Helmholtz elasticity is determined from independent molecular statics (MS) calculations. The gradient solution is implemented numerically within our variational formulation of DD, with several examples illustrating the viability of the non-singular solution. The displacement field around a dislocation loop is shown to be smooth, and the loop self-energy non-divergent, as expected from atomic configurations of crystalline materials. The loop nucleation energy barrier and its dependence on the applied shear stress are computed and shown to be in good agreement with atomistic calculations. DD simulations of Lome-Cottrell junctions in Al show that the strength of the junction and its configuration are easily obtained, without ad-hoc regularization of the singular fields. Numerical convergence studies related to the implementation of the non-singular theory in DD are presented.

Stress and Microstructure Evolution during Transient Creep of Olivine at 1000 and 1200 °C

NASA Astrophysics Data System (ADS)

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

2017-12-01

As the major constituent of Earth's upper mantle, olivine largely determines its physical properties. In the past, deformation experiments were usually run until steady state or to a common value of finite strain. Additionally, few studies were performed on polycrystalline aggregates at low to intermediate temperatures (<1100 °C). For the first time, we study the mechanical response and correlated microstructure 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 10-5s-1 and under 300 MPa of confining pressure. Sample volumes are large with > 1.2 cm3. Finite strains range from 0.1 to 8.6 % and corresponding differential stresses range from 71 to 1073 MPa. Deformed samples were characterized by high resolution electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM). EBSD maps with step sizes as low as 0.05 µm were aquired for the first time without introducing artifacts. The grain size ranges from 1.8 to 2.3 µm, with no significant change in between samples. Likewise, the texture and texture strength (J- and BA-index), grain shape and aspect ratio, density of geometrically necessary dislocations, grain orientation spread, subgrain boundary spacing and misorientation do not change significantly as a function of finite strain or temperature. The dislocation distribution is highly heterogeneous, with some grains remaining dislocation free. TEM shows grain boundaries acting as low activity sites for dislocation nucleation. Even during early mechanical steady state, plasticity seems not to affect grains in unfavorable orientations. We find no confirmation of dislocation entanglements or increasing dislocation densities being the reason for strain hardening during transient creep. This suggests other, yet not understood, mechanisms affecting the strength of deformed olivine. Futhermore, we will map disclinations (rotational topological defects) to estimate their contribution to the transient deformation regime.

Creep substructure formation in sodium chloride single crystals in the power law and exponential creep regimes

NASA Technical Reports Server (NTRS)

Raj, S. V.; Pharr, G. M.

1989-01-01

Creep tests conducted on NaCl single crystals in the temperature range from 373 to 1023 K show that true steady state creep is obtained only above 873 K when the ratio of the applied stress to the shear modulus is less than or equal to 0.0001. Under other stress and temperature conditions, corresponding to both power law and exponential creep, the creep rate decreases monotonically with increasing strain. The transition from power law to exponential creep is shown to be associated with increases in the dislocation density, the cell boundary width, and the aspect ratio of the subgrains along the primary slip planes. The relation between dislocation structure and creep behavior is also assessed.

Modelling Thin Film Microbending: A Comparative Study of Three Different Approaches

NASA Astrophysics Data System (ADS)

Aifantis, Katerina E.; Nikitas, Nikos; Zaiser, Michael

2011-09-01

Constitutive models which describe crystal microplasticity in a continuum framework can be envisaged as average representations of the dynamics of dislocation systems. Thus, their performance needs to be assessed not only by their ability to correctly represent stress-strain characteristics on the specimen scale but also by their ability to correctly represent the evolution of internal stress and strain patterns. In the present comparative study we consider the bending of a free-standing thin film. We compare the results of 3D DDD simulations with those obtained from a simple 1D gradient plasticity model and a more complex dislocation-based continuum model. Both models correctly reproduce the nontrivial strain patterns predicted by DDD for the microbending problem.

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

The Role of Geometrically Necessary Dislocations in Cantilever Beam Bending Experiments of Single Crystals

PubMed Central

Husser, Edgar; Bargmann, Swantje

2017-01-01

The mechanical behavior of single crystalline, micro-sized copper is investigated in the context of cantilever beam bending experiments. Particular focus is on the role of geometrically necessary dislocations (GNDs) during bending-dominated load conditions and their impact on the characteristic bending size effect. Three different sample sizes are considered in this work with main variation in thickness. A gradient extended crystal plasticity model is presented and applied in a three-dimensional finite-element (FE) framework considering slip system-based edge and screw components of the dislocation density vector. The underlying mathematical model contains non-standard evolution equations for GNDs, crystal-specific interaction relations, and higher-order boundary conditions. Moreover, two element formulations are examined and compared with respect to size-independent as well as size-dependent bending behavior. The first formulation is based on a linear interpolation of the displacement and the GND density field together with a full integration scheme whereas the second is based on a mixed interpolation scheme. While the GND density fields are treated equivalently, the displacement field is interpolated quadratically in combination with a reduced integration scheme. Computational results indicate that GND storage in small cantilever beams strongly influences the evolution of statistically stored dislocations (SSDs) and, hence, the distribution of the total dislocation density. As a particular example, the mechanical bending behavior in the case of a physically motivated limitation of GND storage is studied. The resulting impact on the mechanical bending response as well as on the predicted size effect is analyzed. Obtained results are discussed and related to experimental findings from the literature. PMID:28772657

The shear response of copper bicrystals with Σ11 symmetric and asymmetric tilt grain boundaries by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Liang; Lu, Cheng; Tieu, Kiet; Zhao, Xing; Pei, Linqing

2015-04-01

Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11<1 1 0> tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures.Grain boundaries (GBs) are important microstructure features and can significantly affect the properties of nanocrystalline materials. Molecular dynamics simulation was carried out in this study to investigate the shear response and deformation mechanisms of symmetric and asymmetric Σ11<1 1 0> tilt GBs in copper bicrystals. Different deformation mechanisms were reported, depending on GB inclination angles and equilibrium GB structures, including GB migration coupled to shear deformation, GB sliding caused by local atomic shuffling, and dislocation nucleation from GB. The simulation showed that migrating Σ11(1 1 3) GB under shear can be regarded as sliding of GB dislocations and their combination along the boundary plane. A non-planar structure with dissociated intrinsic stacking faults was prevalent in Σ11 asymmetric GBs of Cu. This type of structure can significantly increase the ductility of bicrystal models under shear deformation. A grain boundary can be a source of dislocation and migrate itself at different stress levels. The intrinsic free volume involved in the grain boundary area was correlated with dislocation nucleation and GB sliding, while the dislocation nucleation mechanism can be different for a grain boundary due to its different equilibrium structures. Electronic supplementary information (ESI) available: Movies show the evolution of different grain boundaries under shear deformation: S-0, S-54.74, S-70.53-A, S-70.53-B, S-90. See DOI: 10.1039/c4nr07496c

Homoepitaxial and Heteroepitaxial Growth on Step-Free SiC Mesas

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Powell, J. Anthony

2004-01-01

This article describes the initial discovery and development of new approaches to SiC homoepitaxial and heteroepitaxial growth. These approaches are based upon the previously unanticipated ability to effectively supress two-dimensional nucleation of 3C-SiC on large basal plane terraces that form between growth steps when epitaxy is carried out on 4H- and 6H-SiC nearly on-axis substrates. After subdividing the growth surface into mesa regions, pure stepflow homoeptixay with no terrace nucleation was then used to grow all existing surface steps off the edges of screw-dislocation-free mesas, leaving behind perfectly on-axis (0001) basal plane mesa surfaces completely free of atomic-scale steps. Step-free mesa surfaces as large as 0.4 mm x 0.4 mm were experimentally realized, with the yield and size of step-free mesas being initally limited by substrate screw dislocations. Continued epitaxial growth following step-free surface formation leads to the formation of thin lateral cantilevers that extend the step-free surface area from the top edge of the mesa sidewalls. By selecting a proper pre-growth mesa shape and crystallographic orientation, the rate of cantilever growth can be greatly enhanced in a web growth process that has been used to (1) enlarge step-free surface areas and (2) overgrow and laterally relocate micropipes and screw dislocations. A new growth process, named step-free surface heteroepitaxy, has been developed to achieve 3C-SiC films on 4H- and 6H-SiC substrate mesas completely free of double positioning boundary and stacking fault defects. The process is based upon the controlled terrace nucleation and lateral expansion of a single island of 3C-SiC across a step-free mesa surface. Experimental results indicate that substrateepilayer lattice mismatch is at least partially relieved parallel to the interface without dislocations that undesirably thread through the thickness of the epilayer. These results should enable realization of improved SiC homojunction and heterojunction devices. In addition, these experiments offer important insights into the nature of polytypism during SiC crystal growth.

Dislocations and other topological oddities

NASA Astrophysics Data System (ADS)

Pieranski, Pawel

2016-03-01

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

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals.

PubMed

Wu, Zhaoxuan; Curtin, W A

2016-10-04

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated [Formula: see text] dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of [Formula: see text] dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal [Formula: see text] dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension-compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Mechanism and energetics of 〈c + a〉 dislocation cross-slip in hcp metals

PubMed Central

Wu, Zhaoxuan; Curtin, W. A.

2016-01-01

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated 〈c+a〉 dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of 〈c+a〉 dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal 〈c+a〉 dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension–compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals. PMID:27647908