Supersonic Dislocation Bursts in Silicon

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

Hahn, E. N.; Zhao, S.; Bringa, E. M.

Dislocations are the primary agents of permanent deformation in crystalline solids. Since the theoretical prediction of supersonic dislocations over half a century ago, there is a dearth of experimental evidence supporting their existence. Here we use non-equilibrium molecular dynamics simulations of shocked silicon to reveal transient supersonic partial dislocation motion at approximately 15 km/s, faster than any previous in-silico observation. Homogeneous dislocation nucleation occurs near the shock front and supersonic dislocation motion lasts just fractions of picoseconds before the dislocations catch the shock front and decelerate back to the elastic wave speed. Applying a modified analytical equation for dislocation evolutionmore » we successfully predict a dislocation density of 1.5 x 10(12) cm(-2) within the shocked volume, in agreement with the present simulations and realistic in regards to prior and on-going recovery experiments in silicon.« less

Static stress changes associated with normal faulting earthquakes in South Balkan area

NASA Astrophysics Data System (ADS)

Papadimitriou, E.; Karakostas, V.; Tranos, M.; Ranguelov, B.; Gospodinov, D.

2007-10-01

Activation of major faults in Bulgaria and northern Greece presents significant seismic hazard because of their proximity to populated centers. The long recurrence intervals, of the order of several hundred years as suggested by previous investigations, imply that the twentieth century activation along the southern boundary of the sub-Balkan graben system, is probably associated with stress transfer among neighbouring faults or fault segments. Fault interaction is investigated through elastic stress transfer among strong main shocks ( M ≥ 6.0), and in three cases their foreshocks, which ruptured distinct or adjacent normal fault segments. We compute stress perturbations caused by earthquake dislocations in a homogeneous half-space. The stress change calculations were performed for faults of strike, dip, and rake appropriate to the strong events. We explore the interaction between normal faults in the study area by resolving changes of Coulomb failure function ( ΔCFF) since 1904 and hence the evolution of the stress field in the area during the last 100 years. Coulomb stress changes were calculated assuming that earthquakes can be modeled as static dislocations in an elastic half-space, and taking into account both the coseismic slip in strong earthquakes and the slow tectonic stress buildup associated with major fault segments. We evaluate if these stress changes brought a given strong earthquake closer to, or sent it farther from, failure. Our modeling results show that the generation of each strong event enhanced the Coulomb stress on along-strike neighbors and reduced the stress on parallel normal faults. We extend the stress calculations up to present and provide an assessment for future seismic hazard by identifying possible sites of impending strong earthquakes.

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

NASA Astrophysics Data System (ADS)

Vattré, A.; Pan, E.

2018-07-01

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

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

Measuring strain and rotation fields at the dislocation core in graphene

NASA Astrophysics Data System (ADS)

Bonilla, L. L.; Carpio, A.; Gong, C.; Warner, J. H.

2015-10-01

Strain fields, dislocations, and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields about dislocations in monolayer graphene with single-atom sensitivity. These fields differ qualitatively from those given by conventional linear elasticity. However, atom positions calculated from two-dimensional (2D) discrete elasticity and three-dimensional discrete periodized Föppl-von Kármán equations (dpFvKEs) yield fields close to experiments when determined by geometric phase analysis. 2D theories produce symmetric fields whereas those from experiments exhibit asymmetries. Numerical solutions of dpFvKEs provide strain and rotation fields of dislocation dipoles and pairs that also exhibit asymmetries and, compared with experiments, may yield information on out-of-plane displacements of atoms. While discrete theories need to be solved numerically, analytical formulas for strains and rotation about dislocations can be obtained from 2D Mindlin's hyperstress theory. These formulas are very useful for fitting experimental data and provide a template to ascertain the importance of nonlinear and nonplanar effects. Measuring the parameters of this theory, we find two characteristic lengths between three and four times the lattice spacings that control dilatation and rotation about a dislocation. At larger distances from the dislocation core, the elastic fields decay to those of conventional elasticity. Our results may be relevant for strain engineering in graphene and other 2D materials of current interest.

A continuum theory of edge dislocations

NASA Astrophysics Data System (ADS)

Berdichevsky, V. L.

2017-09-01

Continuum theory of dislocation aims to describe the behavior of large ensembles of dislocations. This task is far from completion, and, most likely, does not have a "universal solution", which is applicable to any dislocation ensemble. In this regards it is important to have guiding lines set by benchmark cases, where the transition from a discrete set of dislocations to a continuum description is made rigorously. Two such cases have been considered recently: equilibrium of dislocation walls and screw dislocations in beams. In this paper one more case is studied, equilibrium of a large set of 2D edge dislocations placed randomly in a 2D bounded region. The major characteristic of interest is energy of dislocation ensemble, because it determines the structure of continuum equations. The homogenized energy functional is obtained for the periodic dislocation ensembles with a random contents of the periodic cell. Parameters of the periodic structure can change slowly on distances of order of the size of periodic cells. The energy functional is obtained by the variational-asymptotic method. Equilibrium positions are local minima of energy. It is confirmed the earlier assertion that energy density of the system is the sum of elastic energy of averaged elastic strains and microstructure energy, which is elastic energy of the neutralized dislocation system, i.e. the dislocation system placed in a constant dislocation density field making the averaged dislocation density zero. The computation of energy is reduced to solution of a variational cell problem. This problem is solved analytically. The solution is used to investigate stability of simple dislocation arrays, i.e. arrays with one dislocation in the periodic cell. The relations obtained yield two outcomes: First, there is a state parameter of the system, dislocation polarization; averaged stresses affect only dislocation polarization and cannot change other characteristics of the system. Second, the structure of dislocation phase space is strikingly simple. Dislocation phase space is split in a family of subspaces corresponding to constant values of dislocation polarizations; in each equipolarization subspace there are many local minima of energy; for zero external stresses the system is stuck in a local minimum of energy; for non-zero slowly changing external stress, dislocation polarization evolves, while the system moves over local energy minima of equipolarization subspaces. Such a simple picture of dislocation dynamics is due to the presence of two time scales, slow evolution of dislocation polarization and fast motion of the system over local minima of energy. The existence of two time scales is justified for a neutral system of edge dislocations.

Reflection and transmission of elastic waves through a couple-stress elastic slab sandwiched between two half-spaces

NASA Astrophysics Data System (ADS)

Wang, Changda; Chen, Xuejun; Wei, Peijun; Li, Yueqiu

2017-12-01

The reflection and transmission of elastic waves through a couple-stress elastic slab that is sandwiched between two couple-stress elastic half-spaces are studied in this paper. Because of the couple-stress effects, there are three types of elastic waves in the couple-stress elastic solid, two of which are dispersive. The interface conditions between two couple-stress solids involve the surface couple and rotation apart from the surface traction and displacement. The nontraditional interface conditions between the slab and two solid half-spaces are used to obtain the linear algebraic equation sets from which the amplitude ratios of reflection and transmission waves to the incident wave can be determined. Then, the energy fluxes carried by the various reflection and transmission waves are calculated numerically and the normal energy flux conservation is used to validate the numerical results. The special case, couple-stress elastic slab sandwiched by the classical elastic half-spaces, is also studied and compared with the situation that the classical elastic slab sandwiched by the classical elastic half-spaces. Incident longitudinal wave (P wave) and incident transverse wave (SV wave) are both considered. The influences of the couple-stress are mainly discussed based on the numerical results. It is found that the couple-stress mainly influences the transverse modes of elastic waves.

Intensity of joints associated with an extensional fault zone: an estimation by poly3d .

NASA Astrophysics Data System (ADS)

Minelli, G.

2003-04-01

The presence and frequency of joints in sedimentary rocks strongly affects the mechanical and fluid flow properties of the host layers. Joints intensity is evaluated by spacing, S, the distance between neighbouring fractures, or by density, D = 1/S. Joint spacing in layered rocks is often linearly related to layer thickness T, with typical values of 0.5 T < S < 2.0 T . On the other hand, some field cases display very tight joints with S << T and nonlinear relations between spacing and thickness , most of these cases are related to joint system “genetically” related to a nearby fault zone. The present study by using the code Poly3D (Rock Fracture Project at Stanford), numerically explores the effect of the stress distribution in the neighbour of an extensional fault zone with respect to the mapped intensity of joints both in the hanging wall and in the foot wall of it (WILLEMSE, E. J. M., 1997; MARTEL, S. J, AND BOGER, W. A,; 1998). Poly3D is a C language computer program that calculates the displacements, strains and stresses induced in an elastic whole or half-space by planar, polygonal-shaped elements of displacement discontinuity (WILLEMSE, E. J. M., POLLARD, D. D., 2000) Dislocations of varying shapes may be combined to yield complex three-dimensional surfaces well-suited for modeling fractures, faults, and cavities in the earth's crust. The algebraic expressions for the elastic fields around a polygonal element are derived by superposing the solution for an angular dislocation in an elastic half-space. The field data have been collected in a quarry located close to Noci town (Puglia) by using the scan line methodology. In this quarry a platform limestone with a regular bedding with very few shale or marly intercalations displaced by a normal fault are exposed. The comparison between the mapped joints intensity and the calculated stress around the fault displays a good agreement. Nevertheless the intrinsic limitations (isotropic medium and elastic behaviour) of this project encourages other application of Poly3d. References WILLEMSE, E. J. M., 1997, Segmented normal faults: Correspondence between three-dimensional mechanical models and field data: Journal of Geophysical Research, v. 102, p. 675-692. MARTEL, S. J, AND BOGER, W. A, 1998, Geometry and mechanics of secondary fracturing around small three-dimensional faults in granitic rock: Journal of Geophysical Research, v. 103, p. 21,299-21,314. WILLEMSE, E. J. M., POLLARD, D. D., 2000, Normal fault growth: evolution of tipline shapes and slip distribution: in Lehner, F.K. &Urai, J.L. (eds.), Aspects of Tectonic Faulting, Springer -Verlag , Berlin, p. 193-226.

A FFT-based formulation for discrete dislocation dynamics in heterogeneous media

NASA Astrophysics Data System (ADS)

Bertin, N.; Capolungo, L.

2018-02-01

In this paper, an extension of the DDD-FFT approach presented in [1] is developed for heterogeneous elasticity. For such a purpose, an iterative spectral formulation in which convolutions are calculated in the Fourier space is developed to solve for the mechanical state associated with the discrete eigenstrain-based microstructural representation. With this, the heterogeneous DDD-FFT approach is capable of treating anisotropic and heterogeneous elasticity in a computationally efficient manner. In addition, a GPU implementation is presented to allow for further acceleration. As a first example, the approach is used to investigate the interaction between dislocations and second-phase particles, thereby demonstrating its ability to inherently incorporate image forces arising from elastic inhomogeneities.

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

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.

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.

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

Rayleigh wave effects in an elastic half-space.

NASA Technical Reports Server (NTRS)

Aggarwal, H. R.

1972-01-01

Consideration of Rayleigh wave effects in a homogeneous isotropic linearly elastic half-space subject to an impulsive uniform disk pressure loading. An approximate formula is obtained for the Rayleigh wave effects. It is shown that the Rayleigh waves near the center of loading arise from the portion of the dilatational and shear waves moving toward the axis, after they originate at the edge of the load disk. A study is made of the vertical displacement due to Rayleigh waves at points on the axis near the surface of the elastic half-space.

Attenuation of the dynamic yield point of shocked aluminum using elastodynamic simulations of dislocation dynamics.

PubMed

Gurrutxaga-Lerma, Beñat; Balint, Daniel S; Dini, Daniele; Eakins, Daniel E; Sutton, Adrian P

2015-05-01

When a metal is subjected to extremely rapid compression, a shock wave is launched that generates dislocations as it propagates. The shock wave evolves into a characteristic two-wave structure, with an elastic wave preceding a plastic front. It has been known for more than six decades that the amplitude of the elastic wave decays the farther it travels into the metal: this is known as "the decay of the elastic precursor." The amplitude of the elastic precursor is a dynamic yield point because it marks the transition from elastic to plastic behavior. In this Letter we provide a full explanation of this attenuation using the first method of dislocation dynamics to treat the time dependence of the elastic fields of dislocations explicitly. We show that the decay of the elastic precursor is a result of the interference of the elastic shock wave with elastic waves emanating from dislocations nucleated in the shock front. Our simulations reproduce quantitatively recent experiments on the decay of the elastic precursor in aluminum and its dependence on strain rate.

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.

Elasticity and dislocation anelasticity of crystals

NASA Astrophysics Data System (ADS)

Nikanorov, S. P.; Kardashev, B. K.

The book is concerned with the application of the results of physical acoustic studies of elasticity and dislocation anelasticity to the investigation of interatomic interactions and interactions between lattice defects. The analysis of the potential functions determining the energy of interatomic interactions is based on a study of the elastic properties of crystals over a wide temperature range; data on the dislocation structure and on the interaction between dislocations and point defects are based mainly on a study of inelastic effects. Particular attention is given to the relationship between microplastic effects and the initial stage of plastic deformation under conditions of elastic oscillations, when the multiplication of dislocations is negligible.

Effects of layered crust on the coseismic slip inversion and related CFF variations: Hints from the 2012 Emilia Romagna earthquake

NASA Astrophysics Data System (ADS)

Nespoli, Massimo; Belardinelli, Maria E.; Anderlini, Letizia; Bonafede, Maurizio; Pezzo, Giuseppe; Todesco, Micol; Rinaldi, Antonio P.

2017-12-01

The 2012 Emilia Romagna (Italy) seismic sequence has been extensively studied given the occurrence of two mainshocks, both temporally and spatially close to each other. The recent literature accounts for several fault models, obtained with different inversion methods and different datasets. Several authors investigated the possibility that the second event was triggered by the first mainshock with elusive results. In this work, we consider all the available InSAR and GPS datasets and two planar fault geometries, which are based on both seismological and geological constraints. We account for a layered, elastic half-space hosting the dislocation and compare the slip distribution resulting from the inversion and the related changes in Coulomb Failure Function (CFF) obtained with both a homogeneous and layered half-space. Finally, we focus on the interaction between the two main events, discriminating the contributions of coseismic and early postseismic slip of the mainshock on the generation of the second event and discuss the spatio-temporal distribution of the seismic sequence. When accounting for both InSAR and GPS geodetic data we are able to reproduce a detailed coseismic slip distribution for the two mainshocks that is in accordance with the overall aftershock seismicity distribution. Furthermore, we see that an elastic medium with depth dependent rigidity better accounts for the lack of the shallow seismicity, amplifying, with respect to the homogeneous case, the mechanical interaction of the two mainshocks.

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.

A statistical analysis of the elastic distortion and dislocation density fields in deformed crystals

DOE PAGES

Mohamed, Mamdouh S.; Larson, Bennett C.; Tischler, Jonathan Z.; ...

2015-05-18

The statistical properties of the elastic distortion fields of dislocations in deforming crystals are investigated using the method of discrete dislocation dynamics to simulate dislocation structures and dislocation density evolution under tensile loading. Probability distribution functions (PDF) and pair correlation functions (PCF) of the simulated internal elastic strains and lattice rotations are generated for tensile strain levels up to 0.85%. The PDFs of simulated lattice rotation are compared with sub-micrometer resolution three-dimensional X-ray microscopy measurements of rotation magnitudes and deformation length scales in 1.0% and 2.3% compression strained Cu single crystals to explore the linkage between experiment and the theoreticalmore » analysis. The statistical properties of the deformation simulations are analyzed through determinations of the Nye and Kr ner dislocation density tensors. The significance of the magnitudes and the length scales of the elastic strain and the rotation parts of dislocation density tensors are demonstrated, and their relevance to understanding the fundamental aspects of deformation is discussed.« less

Computing the Dynamic Response of a Stratified Elastic Half Space Using Diffuse Field Theory

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.; Perton, M.; Molina Villegas, J. C.

2015-12-01

The analytical solution for the dynamic response of an elastic half-space for a normal point load at the free surface is due to Lamb (1904). For a tangential force, we have Chaós (1960) formulae. For an arbitrary load at any depth within a stratified elastic half space, the resulting elastic field can be given in the same fashion, by using an integral representation in the radial wavenumber domain. Typically, computations use discrete wave number (DWN) formalism and Fourier analysis allows for solution in space and time domain. Experimentally, these elastic Greeńs functions might be retrieved from ambient vibrations correlations when assuming a diffuse field. In fact, the field could not be totally diffuse and only parts of the Green's functions, associated to surface or body waves, are retrieved. In this communication, we explore the computation of Green functions for a layered media on top of a half-space using a set of equipartitioned elastic plane waves. Our formalism includes body and surface waves (Rayleigh and Love waves). These latter waves correspond to the classical representations in terms of normal modes in the asymptotic case of large separation distance between source and receiver. This approach allows computing Green's functions faster than DWN and separating the surface and body wave contributions in order to better represent Green's function experimentally retrieved.

Elasticity and dislocation inelasticity of crystals

NASA Astrophysics Data System (ADS)

Nikanorov, S. P.; Kardashev, B. K.

The use of methods of physical acoustics for studying the elasticity and dislocation inelasticity of crystals is discussed, as is the application of the results of such studies to the analysis of interatomic and lattice defect interactions. The analysis of the potential functions determining the energy of interatomic interactions is based on an analysis of the elastic properties of crystals over a wide temperature range. The data on the dislocation structure and the interaction between dislocations and point defects are obtained from a study of inelastic effects. Particular attention is given to the relationship between microplastic effects under conditions of elastic oscillations and the initial stage of plastic deformation.

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.

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.

Maxwell: A semi-analytic 4D code for earthquake cycle modeling of transform fault systems

NASA Astrophysics Data System (ADS)

Sandwell, David; Smith-Konter, Bridget

2018-05-01

We have developed a semi-analytic approach (and computational code) for rapidly calculating 3D time-dependent deformation and stress caused by screw dislocations imbedded within an elastic layer overlying a Maxwell viscoelastic half-space. The maxwell model is developed in the Fourier domain to exploit the computational advantages of the convolution theorem, hence substantially reducing the computational burden associated with an arbitrarily complex distribution of force couples necessary for fault modeling. The new aspect of this development is the ability to model lateral variations in shear modulus. Ten benchmark examples are provided for testing and verification of the algorithms and code. One final example simulates interseismic deformation along the San Andreas Fault System where lateral variations in shear modulus are included to simulate lateral variations in lithospheric structure.

Application of time dependent Green's function method to scattering of elastic waves in anisotropic solids

NASA Astrophysics Data System (ADS)

Tewary, Vinod K.; Fortunko, Christopher M.

The present, time-dependent 3D Green's function method resembles that used to study the propagation of elastic waves in a general, anisotropic half-space in the lattice dynamics of crystals. The method is used to calculate the scattering amplitude of elastic waves from a discontinuity in the half-space; exact results are obtained for 3D pulse propagation in a general, anisotropic half-space that contains either an interior point or a planar scatterer. The results thus obtained are applicable in the design of ultrasonic scattering experiments, especially as an aid in the definition of the spatial and time-domain transducer responses that can maximize detection reliability for specific categories of flaws in highly anisotropic materials.

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.

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.

Mechanical Effects of Normal Faulting Along the Eastern Escarpment of the Sierra Nevada, California

NASA Astrophysics Data System (ADS)

Martel, S. J.; Logan, J. M.; Stock, G. M.

2013-12-01

Here we test whether the regional near-surface stress field in the Sierra Nevada, California, and the near-surface fracturing that heavily influences the Sierran landscape are a mechanical response to normal faulting along its eastern escarpment. A compilation of existing near-surface stress measurements for the central Sierra Nevada, together with three new measurements, shows the most compressive horizontal stresses are 3-21 MPa, consistent with the widespread distribution of sheeting joints (near-surface fractures subparallel to the ground surface). In contrast, a new stress measurement at Aeolian Buttes in the Mono Basin, east of the range front fault system, reveals a horizontal principal tension of 0.014 MPa, consistent with the abundant vertical joints there. To evaluate mechanical effects of normal faulting, we modeled both normal faults and grabens in three ways: (1) dislocations of specified slip in an elastic half-space, (2) frictionless sliding surfaces in an elastic half-space; and (3) faults in thin elastic beams resting on an inviscid fluid. The different mechanical models predict concave upward flexure and widespread near-surface compressive stresses in the Sierra Nevada that surpass the measurements even for as little as 1 km of normal slip along the eastern escarpment, which exhibits 1-3 km of structural and topographic relief. The models also predict concave downward flexure of the bedrock floors and horizontal near-surface tensile stresses east of the escarpment. The thin-beam models account best for the topographic relief of the eastern escarpment and the measured stresses given current best estimates for the rheology of the Sierran lithosphere. Our findings collectively indicate that the regional near-surface stress field and the widespread near-surface fracturing directly reflect the mechanical response to normal faulting along the eastern escarpment. These results have broad scientific and engineering implications for slope stability, hydrology, and geomorphology in and near fault-bounded mountain ranges in general.

Geodetic exploration of strain along the El Pilar Fault in northeastern Venezuela

NASA Astrophysics Data System (ADS)

Reinoza, C.; Jouanne, F.; Audemard, F. A.; Schmitz, M.; Beck, C.

2015-03-01

We use Global Navigation Satellite Systems observations in northeastern Venezuela to constrain the El Pilar Fault (EPF) kinematics and to explore the effects of the variable elastic properties of the surrounding medium and of the fault geometry on inferred slip rates and locking depth. The velocity field exhibits an asymmetric velocity gradient on either side of the EPF. We use five different approaches to explore possible models to explain this asymmetry. First, we infer a 1.6 km locking depth using a classic elastic half-space dislocation model. Second, we infer a 1.5 km locking depth and a 0.33 asymmetry coefficient using a heterogeneous asymmetric model, including contrasting material properties on either side of a vertical fault, suggesting that the igneous-metamorphic terranes on the northern side are ~2 times more rigid than the sedimentary southern side. Third, we use a three-dimensional elastostatic model to evaluate the presence of a compliant zone, suggesting a 30% reduction of rigidity in the upper 3 km at the depth of a 1 to 5 km wide fault zone. Fourth, we evaluate the distribution of fault slip, revealing a widespread partial creep pattern in the eastern upper segment, while the upper western segment exhibits a partially locked area, which coincides with the rupture surface of the 1797 and 1929 earthquakes. To supplement these models, we upgrade the previously published displacement simulation method using nonvertical dislocations with data acquired between 2003 and 2013. The localized aseismic displacement pattern associated with creeping or partially creeping fault segments could explain the low level of historic seismicity.

Simplex GPS and InSAR Inversion Software

NASA Technical Reports Server (NTRS)

Donnellan, Andrea; Parker, Jay W.; Lyzenga, Gregory A.; Pierce, Marlon E.

2012-01-01

Changes in the shape of the Earth's surface can be routinely measured with precisions better than centimeters. Processes below the surface often drive these changes and as a result, investigators require models with inversion methods to characterize the sources. Simplex inverts any combination of GPS (global positioning system), UAVSAR (uninhabited aerial vehicle synthetic aperture radar), and InSAR (interferometric synthetic aperture radar) data simultaneously for elastic response from fault and fluid motions. It can be used to solve for multiple faults and parameters, all of which can be specified or allowed to vary. The software can be used to study long-term tectonic motions and the faults responsible for those motions, or can be used to invert for co-seismic slip from earthquakes. Solutions involving estimation of fault motion and changes in fluid reservoirs such as magma or water are possible. Any arbitrary number of faults or parameters can be considered. Simplex specifically solves for any of location, geometry, fault slip, and expansion/contraction of a single or multiple faults. It inverts GPS and InSAR data for elastic dislocations in a half-space. Slip parameters include strike slip, dip slip, and tensile dislocations. It includes a map interface for both setting up the models and viewing the results. Results, including faults, and observed, computed, and residual displacements, are output in text format, a map interface, and can be exported to KML. The software interfaces with the QuakeTables database allowing a user to select existing fault parameters or data. Simplex can be accessed through the QuakeSim portal graphical user interface or run from a UNIX command line.

Change and anisotropy of elastic modulus in sheet metals due to plastic deformation

NASA Astrophysics Data System (ADS)

Ishitsuka, Yuki; Arikawa, Shuichi; Yoneyama, Satoru

2015-03-01

In this study, the effect of the plastic deformation on the microscopic structure and the anisotropy of the elastic modulus in the cold-rolled steel sheet (SPCC) is investigated. Various uniaxial plastic strains (0%, 2.5%, 5%, 7.5%, and 10%) are applied to the annealed SPCC plates, then, the specimens for the tensile tests are cut out from them. The elastic moduli in the longitudinal direction and the transverse direction to the direction that are pre-strained are measured by the tensile tests. Cyclic tests are performed to investigate the effects of the internal friction caused by the movable dislocations in the elastic deformation. Also, the movable dislocations are quantified by the boundary tracking for TEM micrographs. In addition, the behaviors of the change of the elastic modulus in the solutionized and thermal aged aluminum alloy (A5052) are measured to investigate the effect on the movable dislocations with the amount of the depositions. As a result in SPCC, the elastic moduli of the 0° and 90° directions decrease more than 10% as 10% prestrain applied. On the other hand, the elastic modulus shows the recovery behavior after the strain aging and the annealing. The movable dislocation and the internal friction show a tendency to increase as the plastic strain increases. The marked anisotropy is not observed in the elastic modulus and the internal friction. The elastic modulus in A5052 with many and few depositions decreases similarly by the plastic deformation. From the above, the movable dislocations affect the elastic modulus strongly without depending on the deposition amount. Moreover, the elastic modulus recovers after the plastic deformation by reducing the effects of them with the strain aging and the heat treatment.

Checking the validity of superimposing analytical deformation models and implications for numerical modelling of dikes and magma chambers

NASA Astrophysics Data System (ADS)

Pascal, K.; Neuberg, J. W.; Rivalta, E.

2011-12-01

The displacement field due to magma movements in the subsurface is commonly modelled using the solutions for a point source (Mogi, 1958), a finite spherical source (McTigue, 1987), or a dislocation source (Okada, 1992) embedded in a homogeneous elastic half-space. When the magmatic system is represented by several sources, their respective deformation fields are summed, and the assumption of homogeneity in the half-space is violated. We have investigated the effects of neglecting the interaction between sources on the surface deformation field. To do so, we calculated the vertical and horizontal displacements for models with adjacent sources and we tested them against the solutions of corresponding numerical 3D finite element models. We implemented several models combining spherical pressure sources and dislocation sources, varying the pressure or opening of the sources and their relative position. We also investigated various numerical methods to model a dike as a dislocation tensile source or as a pressurized tabular crack. In the former case, the dike opening was either defined as two boundaries displaced from a central location, or as one boundary displaced relative to the other. We finally considered two case studies based on Soufrière Hills Volcano (Montserrat, West Indies) and the Dabbahu rift segment (Afar, Ethiopia) magmatic systems. We found that the discrepancies between simple superposition of the displacement field and a fully interacting numerical solution depend mostly on the source types and on their spacing. Their magnitude may be comparable with the errors due to neglecting the topography, the inhomogeneities in crustal properties or more realistic rheologies. In the models considered, the errors induced when neglecting the source interaction can be neglected (<5%) when the sources are separated by at least 4 radii for two combined Mogi sources and by at least 3 radii for juxtaposed Mogi and Okada sources. Furthermore, this study underlines fundamental issues related to the numerical method chosen to model a dike or a magma chamber. It clearly demonstrates that, while the magma compressibility can be neglected to model the deformation due to one source or distant sources, it is necessary to take it into account in models combining close sources.

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

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

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

2014-12-08

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

Analytic crack solutions for tilt fields around hydraulic fractures

NASA Astrophysics Data System (ADS)

Warpinski, Norman R.

2000-10-01

The recent development of downhole tiltmeter arrays for monitoring hydraulic fractures has provided new information on fracture growth and geometry. These downhole arrays offer the significant advantages of being close to the fracture (large signal) and being unaffected by the free surface. As with surface tiltmeter data, analysis of these measurements requires the inversion of a crack or dislocation model. To supplement the dislocation models of Davis [1983], Okada [1992], and others, this work has extended several elastic crack solutions to provide tilt calculations. The solutions include constant-pressure two-dimensional (2-D), penny-shaped, and 3-D-elliptic cracks and a 2-D-variable-pressure crack. Equations are developed for an arbitrary inclined fracture in an infinite elastic space. Effects of fracture height, fracture length, fracture dip, fracture azimuth, fracture width, and monitoring distance on the tilt distribution are given, as well as comparisons with the dislocation model. The results show that the tilt measurements are very sensitive to the fracture dimensions but also that it is difficult to separate the competing effects of the various parameters.

Analytic crack solutions for tilt fields around hydraulic fractures

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

Warpinski, N.R.

The recent development of downhole tiltmeter arrays for monitoring hydraulic fractures has provided new information on fracture growth and geometry. These downhole arrays offer the significant advantages of being close to the fracture (large signal) and being unaffected by the free surface. As with surface tiltmeter data, analysis of these measurements requires the inversion of a crack or dislocation model. To supplement the dislocation models of Davis [1983], Okada [1992] and others, this work has extended several elastic crack solutions to provide tilt calculations. The solutions include constant-pressure 2D, penny-shaped, and 3D-elliptic cracks and a 2D-variable-pressure crack. Equations are developedmore » for an arbitrary inclined fracture in an infinite elastic space. Effects of fracture height, fracture length, fracture dip, fracture azimuth, fracture width and monitoring distance on the tilt distribution are given, as well as comparisons with the dislocation model. The results show that the tilt measurements are very sensitive to the fracture dimensions, but also that it is difficult to separate the competing effects of the various parameters.« less

The Shock and Vibration Digest. Volume 16, Number 11

DTIC Science & Technology

1984-11-01

wave [19], a secular equation for Rayleigh waves on ing, seismic risk, and related problems are discussed. the surface of an anisotropic half-space...waves in an !so- tive equation of an elastic-plastic rack medium was....... tropic linear elastic half-space with plane material used; the coefficient...pair of semi-linear hyperbolic partial differential -- " Conditions under which the equations of motion equations governing slow variations in amplitude

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

Micromechanics of Interfaces in High Temperature Composites

DTIC Science & Technology

1992-05-30

the development of analytical solutions to solve the eigenstrain problem of both a single fiber (treated as a cylindrical inclusion) in an elastic... eigenstrain in a half space by using Green’s functions. Green’s functions were obtained for problems of an elastic half space with a free surface or rigidly...normal to the crack surface, the eigenstrain £3, for the equivalent inclusion method is introduced to simulate the bridged crack. Specially £33 in DO

Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media

NASA Astrophysics Data System (ADS)

Chen, C.; Aubry, S.; Oppelstrup, T.; Arsenlis, A.; Darve, E.

2018-06-01

In dislocation dynamics (DD) simulations, the most computationally intensive step is the evaluation of the elastic interaction forces among dislocation ensembles. Because the pair-wise interaction between dislocations is long-range, this force calculation step can be significantly accelerated by the fast multipole method (FMM). We implemented and compared four different methods in isotropic and anisotropic elastic media: one based on the Taylor series expansion (Taylor FMM), one based on the spherical harmonics expansion (Spherical FMM), one kernel-independent method based on the Chebyshev interpolation (Chebyshev FMM), and a new kernel-independent method that we call the Lagrange FMM. The Taylor FMM is an existing method, used in ParaDiS, one of the most popular DD simulation softwares. The Spherical FMM employs a more compact multipole representation than the Taylor FMM does and is thus more efficient. However, both the Taylor FMM and the Spherical FMM are difficult to derive in anisotropic elastic media because the interaction force is complex and has no closed analytical formula. The Chebyshev FMM requires only being able to evaluate the interaction between dislocations and thus can be applied easily in anisotropic elastic media. But it has a relatively large memory footprint, which limits its usage. The Lagrange FMM was designed to be a memory-efficient black-box method. Various numerical experiments are presented to demonstrate the convergence and the scalability of the four methods.

Refined boundary conditions on the free surface of an elastic half-space taking into account non-local effects.

PubMed

Chebakov, R; Kaplunov, J; Rogerson, G A

2016-02-01

The dynamic response of a homogeneous half-space, with a traction-free surface, is considered within the framework of non-local elasticity. The focus is on the dominant effect of the boundary layer on overall behaviour. A typical wavelength is assumed to considerably exceed the associated internal lengthscale. The leading-order long-wave approximation is shown to coincide formally with the 'local' problem for a half-space with a vertical inhomogeneity localized near the surface. Subsequent asymptotic analysis of the inhomogeneity results in an explicit correction to the classical boundary conditions on the surface. The order of the correction is greater than the order of the better-known correction to the governing differential equations. The refined boundary conditions enable us to evaluate the interior solution outside a narrow boundary layer localized near the surface. As an illustration, the effect of non-local elastic phenomena on the Rayleigh wave speed is investigated.

A crystal plasticity model for slip in hexagonal close packed metals based on discrete dislocation simulations

NASA Astrophysics Data System (ADS)

Messner, Mark C.; Rhee, Moono; Arsenlis, Athanasios; Barton, Nathan R.

2017-06-01

This work develops a method for calibrating a crystal plasticity model to the results of discrete dislocation (DD) simulations. The crystal model explicitly represents junction formation and annihilation mechanisms and applies these mechanisms to describe hardening in hexagonal close packed metals. The model treats these dislocation mechanisms separately from elastic interactions among populations of dislocations, which the model represents through a conventional strength-interaction matrix. This split between elastic interactions and junction formation mechanisms more accurately reproduces the DD data and results in a multi-scale model that better represents the lower scale physics. The fitting procedure employs concepts of machine learning—feature selection by regularized regression and cross-validation—to develop a robust, physically accurate crystal model. The work also presents a method for ensuring the final, calibrated crystal model respects the physical symmetries of the crystal system. Calibrating the crystal model requires fitting two linear operators: one describing elastic dislocation interactions and another describing junction formation and annihilation dislocation reactions. The structure of these operators in the final, calibrated model reflect the crystal symmetry and slip system geometry of the DD simulations.

Source model for the Mw 6.7, 23 October 2002, Nenana Mountain Earthquake (Alaska) from InSAR

USGS Publications Warehouse

Wright, Tim J.; Lu, Z.; Wicks, Charles

2003-01-01

The 23 October 2002 Nenana Mountain Earthquake (Mw ∼ 6.7) occurred on the Denali Fault (Alaska), to the west of the Mw ∼ 7.9 Denali Earthquake that ruptured the same fault 11 days later. We used 6 interferograms, constructed using radar images from the Canadian Radarsat-1 and European ERS-2 satellites, to determine the coseismic surface deformation and a source model. Data were acquired on ascending and descending satellite passes, with incidence angles between 23 and 45 degrees, and time intervals of 72 days or less. Modeling the event as dislocations in an elastic half space suggests that there was nearly 0.9 m of right-lateral strike-slip motion at depth, on a near-vertical fault, and that the maximum slip in the top 4 km of crust was less than 0.2 m. The Nenana Mountain Earthquake increased the Coulomb stress at the future hypocenter of the 3 November 2002, Denali Earthquake by 30–60 kPa.

Source model for the Mw 6.7, 23 October 2002, Nenana Mountain Earthquake (Alaska) from InSAR

USGS Publications Warehouse

Wright, Tim J.; Lu, Zhong; Wicks, Chuck

2003-01-01

The 23 October 2002 Nenana Mountain Earthquake (Mw ∼ 6.7) occurred on the Denali Fault (Alaska), to the west of the Mw ∼ 7.9 Denali Earthquake that ruptured the same fault 11 days later. We used 6 interferograms, constructed using radar images from the Canadian Radarsat-1 and European ERS-2 satellites, to determine the coseismic surface deformation and a source model. Data were acquired on ascending and descending satellite passes, with incidence angles between 23 and 45 degrees, and time intervals of 72 days or less. Modeling the event as dislocations in an elastic half space suggests that there was nearly 0.9 m of right-lateral strike-slip motion at depth, on a near-vertical fault, and that the maximum slip in the top 4 km of crust was less than 0.2 m. The Nenana Mountain Earthquake increased the Coulomb stress at the future hypocenter of the 3 November 2002, Denali Earthquake by 30–60 kPa.

Quantifying the effect of hydrogen on dislocation dynamics: A three-dimensional discrete dislocation dynamics framework

NASA Astrophysics Data System (ADS)

Gu, Yejun; El-Awady, Jaafar A.

2018-03-01

We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated with the hydrogen-induced volume change is accounted for. The three-dimensional stress tensor induced by hydrogen concentration, which is in equilibrium with respect to the dislocation stress field, is derived using the Eshelby inclusion model, while the hydrogen bulk diffusion is treated as a continuum process. This newly developed framework is utilized to quantify the effect of different hydrogen concentrations on the dynamics of a glide dislocation in the absence of an applied stress field as well as on the spacing between dislocations in an array of parallel edge dislocations. A shielding effect is observed for materials having a large hydrogen diffusion coefficient, with the shield effect leading to the homogenization of the shrinkage process leading to the glide loop maintaining its circular shape, as well as resulting in a decrease in dislocation separation distances in the array of parallel edge dislocations. On the other hand, for materials having a small hydrogen diffusion coefficient, the high hydrogen concentrations around the edge characters of the dislocations act to pin them. Higher stresses are required to be able to unpin the dislocations from the hydrogen clouds surrounding them. Finally, this new framework can open the door for further large scale studies on the effect of hydrogen on the different aspects of dislocation-mediated plasticity in metals. With minor modifications of the current formulations, the framework can also be extended to account for general inclusion-induced stress field in discrete dislocation dynamics simulations.

A combined application of boundary-element and Runge-Kutta methods in three-dimensional elasticity and poroelasticity

NASA Astrophysics Data System (ADS)

Igumnov, Leonid; Ipatov, Aleksandr; Belov, Aleksandr; Petrov, Andrey

2015-09-01

The report presents the development of the time-boundary element methodology and a description of the related software based on a stepped method of numerical inversion of the integral Laplace transform in combination with a family of Runge-Kutta methods for analyzing 3-D mixed initial boundary-value problems of the dynamics of inhomogeneous elastic and poro-elastic bodies. The results of the numerical investigation are presented. The investigation methodology is based on direct-approach boundary integral equations of 3-D isotropic linear theories of elasticity and poroelasticity in Laplace transforms. Poroelastic media are described using Biot models with four and five base functions. With the help of the boundary-element method, solutions in time are obtained, using the stepped method of numerically inverting Laplace transform on the nodes of Runge-Kutta methods. The boundary-element method is used in combination with the collocation method, local element-by-element approximation based on the matched interpolation model. The results of analyzing wave problems of the effect of a non-stationary force on elastic and poroelastic finite bodies, a poroelastic half-space (also with a fictitious boundary) and a layered half-space weakened by a cavity, and a half-space with a trench are presented. Excitation of a slow wave in a poroelastic medium is studied, using the stepped BEM-scheme on the nodes of Runge-Kutta methods.

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 relaxation of a truncated circular cylinder with uniform dilatational eigenstrain in a half space

NASA Astrophysics Data System (ADS)

Glas, Frank

2003-06-01

We give a fully analytical solution for the displacement and strain fields generated by the coherent elastic relaxation of a type of misfitting inclusions with uniform dilatational eigenstrain lying in a half space, assuming linear isotropic elasticity. The inclusion considered is an infinitely long circular cylinder having an axis parallel to the free surface and truncated by two arbitrarily positioned planes parallel to this surface. These calculations apply in particular to strained semiconductor quantum wires. The calculations are illustrated by examples showing quantitatively that, depending on the depth of the wire under the free surface, the latter may significantly affect the magnitude and the distribution of the various strain components inside the inclusion as well as in the surrounding matrix.

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.

Finite element model predictions of static deformation from dislocation sources in a subduction zone: Sensitivities to homogeneous, isotropic, Poisson-solid, and half-space assumptions

USGS Publications Warehouse

Masterlark, Timothy

2003-01-01

Dislocation models can simulate static deformation caused by slip along a fault. These models usually take the form of a dislocation embedded in a homogeneous, isotropic, Poisson-solid half-space (HIPSHS). However, the widely accepted HIPSHS assumptions poorly approximate subduction zone systems of converging oceanic and continental crust. This study uses three-dimensional finite element models (FEMs) that allow for any combination (including none) of the HIPSHS assumptions to compute synthetic Green's functions for displacement. Using the 1995 Mw = 8.0 Jalisco-Colima, Mexico, subduction zone earthquake and associated measurements from a nearby GPS array as an example, FEM-generated synthetic Green's functions are combined with standard linear inverse methods to estimate dislocation distributions along the subduction interface. Loading a forward HIPSHS model with dislocation distributions, estimated from FEMs that sequentially relax the HIPSHS assumptions, yields the sensitivity of predicted displacements to each of the HIPSHS assumptions. For the subduction zone models tested and the specific field situation considered, sensitivities to the individual Poisson-solid, isotropy, and homogeneity assumptions can be substantially greater than GPS. measurement uncertainties. Forward modeling quantifies stress coupling between the Mw = 8.0 earthquake and a nearby Mw = 6.3 earthquake that occurred 63 days later. Coulomb stress changes predicted from static HIPSHS models cannot account for the 63-day lag time between events. Alternatively, an FEM that includes a poroelastic oceanic crust, which allows for postseismic pore fluid pressure recovery, can account for the lag time. The pore fluid pressure recovery rate puts an upper limit of 10-17 m2 on the bulk permeability of the oceanic crust. Copyright 2003 by the American Geophysical Union.

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.

A FFT-based formulation for efficient mechanical fields computation in isotropic and anisotropic periodic discrete dislocation dynamics

NASA Astrophysics Data System (ADS)

Bertin, N.; Upadhyay, M. V.; Pradalier, C.; Capolungo, L.

2015-09-01

In this paper, we propose a novel full-field approach based on the fast Fourier transform (FFT) technique to compute mechanical fields in periodic discrete dislocation dynamics (DDD) simulations for anisotropic materials: the DDD-FFT approach. By coupling the FFT-based approach to the discrete continuous model, the present approach benefits from the high computational efficiency of the FFT algorithm, while allowing for a discrete representation of dislocation lines. It is demonstrated that the computational time associated with the new DDD-FFT approach is significantly lower than that of current DDD approaches when large number of dislocation segments are involved for isotropic and anisotropic elasticity, respectively. Furthermore, for fine Fourier grids, the treatment of anisotropic elasticity comes at a similar computational cost to that of isotropic simulation. Thus, the proposed approach paves the way towards achieving scale transition from DDD to mesoscale plasticity, especially due to the method’s ability to incorporate inhomogeneous elasticity.

Analytical Expressions for Deformation from an Arbitrarily Oriented Spheroid in a Half-Space

NASA Astrophysics Data System (ADS)

Cervelli, P. F.

2013-12-01

Deformation from magma chambers can be modeled by an elastic half-space with an embedded cavity subject to uniform pressure change along its interior surface. For a small number of cavity shapes, such as a sphere or a prolate spheroid, closed-form, analytical expressions for deformation have been derived, although these only approximate the uniform-pressure-change boundary condition, with the approximation becoming more accurate as the ratio of source depth to source dimension increases. Using the method of Elshelby [1957] and Yang [1988], which consists of a distribution of double forces and centers of dilatation along the vertical axis, I have derived expressions for displacement from a finite spheroid of arbitrary orientation and aspect ratio that are exact in an infinite elastic medium and approximate in a half-space. The approximation, like those for other cavity shapes, becomes increasingly accurate as the depth to source ratio grows larger, and is accurate to within a few percent in most real-world cases. I have also derived expressions for the deformation-gradient tensor, i.e., the derivatives of each component of displacement with respect to each coordinate direction. These can be transformed easily into the strain and stress tensors. The expressions give deformation both at the surface and at any point within the half-space, and include conditional statements that account for limiting cases that would otherwise prove singular. I have developed MATLAB code for these expressions (and their derivatives), which I use to demonstrate the accuracy of the approximation by showing how well the uniform-pressure-change boundary condition is satisfied in a variety of cases. I also show that a vertical, oblate spheroid with a zero-length vertical axis is equivalent to the penny-shaped crack of Fialko [2001] in an infinite medium and an excellent approximation in a half-space. Finally, because, in many cases, volume change is more tangible than pressure change, I have derived an equation that relates these two quantities for the spheroid: volume change equals pressure change × 2/3 × π/μ × a constant that depends on Poisson's ratio and the spheroid geometry. Eshelby, J. D., The determination of the elastic field of an ellipsoidal inclusion and related problems, Proc. R. Soc. London, Ser. A, 241, 376-396, 1957. Fialko, Y., Khazan, Y, and Simons, M. Deformation due to a pressurized horizontal circular crack in an elastic half-space, with applications to volcano geodesy, Geophys. J. Int., no. 146, 181-190, 2001. Yang, X., Davis, P. M., and Dieterich, J.H, Deformation from inflation of a dipping finite prolate spheroid in an Elastic Half-Space as a model for volcanic stressing, J. Geophys. Res., vol. 93, no. B5, 4249-4257, 1988.

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

A study on Rayleigh wave dispersion in bone according to Mindlin's Form II gradient elasticity.

PubMed

Vavva, Maria G; Gergidis, Leonidas N; Protopappas, Vasilios C; Charalambopoulos, Antonios; Polyzos, Demosthenes; Fotiadis, Dimitrios I

2014-05-01

The classical elasticity cannot effectively describe bone's mechanical behavior since only homogeneous media and local stresses are assumed. Additionally, it cannot predict the dispersive nature of the Rayleigh wave which has been reported in experimental studies and was also demonstrated in a previous computational study by adopting Mindlin's Form II gradient elasticity. In this work Mindlin's theory is employed to analytically determine the dispersion of Rayleigh waves in a strain gradient elastic half-space. An isotropic semi-infinite space is considered with properties equal to those of bone and dynamic behavior suffering from microstructural effects. Microstructural effects are considered by incorporating four intrinsic parameters in the stress analysis. The results are presented in the form of group and phase velocity dispersion curves and compared with existing computational results and semi-analytical curves calculated for a simpler case of Rayleigh waves in dipolar gradient elastic half-spaces. Comparisons are also performed with the velocity of the first-order antisymmetric mode propagating in a dipolar plate so as to observe the Rayleigh asymptotic behavior. It is shown that Mindlin's Form II gradient elasticity can effectively describe the dispersive nature of Rayleigh waves. This study could be regarded as a step toward the ultrasonic characterization of bone.

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.

Calculation of zero-offset vertical seismic profiles generated by a horizontal point force acting on the surface of an elastic half-space

USGS Publications Warehouse

Hsi-Ping, Liu

1990-01-01

Impulse responses including near-field terms have been obtained in closed form for the zero-offset vertical seismic profiles generated by a horizontal point force acting on the surface of an elastic half-space. The method is based on the correspondence principle. Through transformation of variables, the Fourier transform of the elastic impulse response is put in a form such that the Fourier transform of the corresponding anelastic impulse response can be expressed as elementary functions and their definite integrals involving distance angular frequency, phase velocities, and attenuation factors. These results are used for accurate calculation of shear-wave arrival rise times of synthetic seismograms needed for data interpretation of anelastic-attenuation measurements in near-surface sediment. -Author

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.

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.

Structure, Energetics, and Dynamics of Screw Dislocations in Even n-Alkane Crystals.

PubMed

Olson, Isabel A; Shtukenberg, Alexander G; Hakobyan, Gagik; Rohl, Andrew L; Raiteri, Paolo; Ward, Michael D; Kahr, Bart

2016-08-18

Spiral hillocks on n-alkane crystal surfaces were observed immediately after Frank recognized the importance of screw dislocations for crystal growth, yet their structures and energies in molecular crystals remain ill-defined. To illustrate the structural chemistry of screw dislocations that are responsible for plasticity in organic crystals and upon which the organic electronics and pharmaceutical industries depend, molecular dynamics was used to examine heterochiral dislocation pairs with Burgers vectors along [001] in n-hexane, n-octane, and n-decane crystals. The cores were anisotropic and elongated in the (110) slip plane, with significant local changes in molecular position, orientation, conformation, and energy. This detailed atomic level picture produced a distribution of strain consistent with linear elastic theory, giving confidence in the simulations. Dislocations with doubled Burgers vectors split into pairs with elementary displacements. These results suggest a pathway to understanding the mechanical properties and failure associated with elastic and plastic deformation in soft crystals.

Estimation of elastic moduli in a compressible Gibson half-space by inverting Rayleigh-wave phase velocity

USGS Publications Warehouse

Xia, J.; Xu, Y.; Miller, R.D.; Chen, C.

2006-01-01

A Gibson half-space model (a non-layered Earth model) has the shear modulus varying linearly with depth in an inhomogeneous elastic half-space. In a half-space of sedimentary granular soil under a geostatic state of initial stress, the density and the Poisson's ratio do not vary considerably with depth. In such an Earth body, the dynamic shear modulus is the parameter that mainly affects the dispersion of propagating waves. We have estimated shear-wave velocities in the compressible Gibson half-space by inverting Rayleigh-wave phase velocities. An analytical dispersion law of Rayleigh-type waves in a compressible Gibson half-space is given in an algebraic form, which makes our inversion process extremely simple and fast. The convergence of the weighted damping solution is guaranteed through selection of the damping factor using the Levenberg-Marquardt method. Calculation efficiency is achieved by reconstructing a weighted damping solution using singular value decomposition techniques. The main advantage of this algorithm is that only three parameters define the compressible Gibson half-space model. Theoretically, to determine the model by the inversion, only three Rayleigh-wave phase velocities at different frequencies are required. This is useful in practice where Rayleigh-wave energy is only developed in a limited frequency range or at certain frequencies as data acquired at manmade structures such as dams and levees. Two real examples are presented and verified by borehole S-wave velocity measurements. The results of these real examples are also compared with the results of the layered-Earth model. ?? Springer 2006.

Elastic Green’s Function in Anisotropic Bimaterials Considering Interfacial Elasticity

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

Juan, Pierre -Alexandre; Dingreville, Remi

Here, the two-dimensional elastic Green’s function is calculated for a general anisotropic elastic bimaterial containing a line dislocation and a concentrated force while accounting for the interfacial structure by means of a generalized interfacial elasticity paradigm. The introduction of the interface elasticity model gives rise to boundary conditions that are effectively equivalent to those of a weakly bounded interface. The equations of elastic equilibrium are solved by complex variable techniques and the method of analytical continuation. The solution is decomposed into the sum of the Green’s function corresponding to the perfectly bonded interface and a perturbation term corresponding to themore » complex coupling nature between the interface structure and a line dislocation/concentrated force. Such construct can be implemented into the boundary integral equations and the boundary element method for analysis of nano-layered structures and epitaxial systems where the interface structure plays an important role.« less

Elastic Green’s Function in Anisotropic Bimaterials Considering Interfacial Elasticity

DOE PAGES

Juan, Pierre -Alexandre; Dingreville, Remi

2017-09-13

Here, the two-dimensional elastic Green’s function is calculated for a general anisotropic elastic bimaterial containing a line dislocation and a concentrated force while accounting for the interfacial structure by means of a generalized interfacial elasticity paradigm. The introduction of the interface elasticity model gives rise to boundary conditions that are effectively equivalent to those of a weakly bounded interface. The equations of elastic equilibrium are solved by complex variable techniques and the method of analytical continuation. The solution is decomposed into the sum of the Green’s function corresponding to the perfectly bonded interface and a perturbation term corresponding to themore » complex coupling nature between the interface structure and a line dislocation/concentrated force. Such construct can be implemented into the boundary integral equations and the boundary element method for analysis of nano-layered structures and epitaxial systems where the interface structure plays an important role.« less

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

Rayleigh-type waves in nonlocal micropolar solid half-space.

PubMed

Khurana, Aarti; Tomar, S K

2017-01-01

Propagation of Rayleigh type surface waves in nonlocal micropolar elastic solid half-space has been investigated. Two modes of Rayleigh-type waves are found to propagate under certain approximations. Frequency equations of these Rayleigh type modes and their conditions of existence have been derived. These frequency equations are found to be dispersive in character due to the presence of micropolarity and nonlocality parameters in the medium. One of the frequency equations is a counterpart of the classical Rayleigh waves and the other is new and has appeared due to micropolarity of the medium. Phase speeds of these waves are computed numerically for Magnesium crystal and their variation against wavenumber are presented graphically. Comparisons have been made between the phase speeds of Rayleigh type waves through nonlocal micropolar, local micropolar and elastic solid half-spaces. Copyright © 2016 Elsevier B.V. All rights reserved.

Propagation of ultrasonic Love waves in nonhomogeneous elastic functionally graded materials.

PubMed

Kiełczyński, P; Szalewski, M; Balcerzak, A; Wieja, K

2016-02-01

This paper presents a theoretical study of the propagation behavior of ultrasonic Love waves in nonhomogeneous functionally graded elastic materials, which is a vital problem in the mechanics of solids. The elastic properties (shear modulus) of a semi-infinite elastic half-space vary monotonically with the depth (distance from the surface of the material). The Direct Sturm-Liouville Problem that describes the propagation of Love waves in nonhomogeneous elastic functionally graded materials is formulated and solved by using two methods: i.e., (1) Finite Difference Method, and (2) Haskell-Thompson Transfer Matrix Method. The dispersion curves of phase and group velocity of surface Love waves in inhomogeneous elastic graded materials are evaluated. The integral formula for the group velocity of Love waves in nonhomogeneous elastic graded materials has been established. The effect of elastic non-homogeneities on the dispersion curves of Love waves is discussed. Two Love wave waveguide structures are analyzed: (1) a nonhomogeneous elastic surface layer deposited on a homogeneous elastic substrate, and (2) a semi-infinite nonhomogeneous elastic half-space. Obtained in this work, the phase and group velocity dispersion curves of Love waves propagating in the considered nonhomogeneous elastic waveguides have not previously been reported in the scientific literature. The results of this paper may give a deeper insight into the nature of Love waves propagation in elastic nonhomogeneous functionally graded materials, and can provide theoretical guidance for the design and optimization of Love wave based devices. Copyright © 2015 Elsevier B.V. All rights reserved.

On precisely modelling surface deformation due to interacting magma chambers and dykes

NASA Astrophysics Data System (ADS)

Pascal, Karen; Neuberg, Jurgen; Rivalta, Eleonora

2014-01-01

Combined data sets of InSAR and GPS allow us to observe surface deformation in volcanic settings. However, at the vast majority of volcanoes, a detailed 3-D structure that could guide the modelling of deformation sources is not available, due to the lack of tomography studies, for example. Therefore, volcano ground deformation due to magma movement in the subsurface is commonly modelled using simple point (Mogi) or dislocation (Okada) sources, embedded in a homogeneous, isotropic and elastic half-space. When data sets are too complex to be explained by a single deformation source, the magmatic system is often represented by a combination of these sources and their displacements fields are simply summed. By doing so, the assumption of homogeneity in the half-space is violated and the resulting interaction between sources is neglected. We have quantified the errors of such a simplification and investigated the limits in which the combination of analytical sources is justified. We have calculated the vertical and horizontal displacements for analytical models with adjacent deformation sources and have tested them against the solutions of corresponding 3-D finite element models, which account for the interaction between sources. We have tested various double-source configurations with either two spherical sources representing magma chambers, or a magma chamber and an adjacent dyke, modelled by a rectangular tensile dislocation or pressurized crack. For a tensile Okada source (representing an opening dyke) aligned or superposed to a Mogi source (magma chamber), we find the discrepancies with the numerical models to be insignificant (<5 per cent) independently of the source separation. However, if a Mogi source is placed side by side to an Okada source (in the strike-perpendicular direction), we find the discrepancies to become significant for a source separation less than four times the radius of the magma chamber. For horizontally or vertically aligned pressurized sources, the discrepancies are up to 20 per cent, which translates into surprisingly large errors when inverting deformation data for source parameters such as depth and volume change. Beyond 8 radii however, we demonstrate that the summation of analytical sources represents adjacent magma chambers correctly.

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

Mandal, A.; Gupta, Y. M.

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

Automated identification and indexing of dislocations in crystal interfaces

DOE PAGES

Stukowski, Alexander; Bulatov, Vasily V.; Arsenlis, Athanasios

2012-10-31

Here, we present a computational method for identifying partial and interfacial dislocations in atomistic models of crystals with defects. Our automated algorithm is based on a discrete Burgers circuit integral over the elastic displacement field and is not limited to specific lattices or dislocation types. Dislocations in grain boundaries and other interfaces are identified by mapping atomic bonds from the dislocated interface to an ideal template configuration of the coherent interface to reveal incompatible displacements induced by dislocations and to determine their Burgers vectors. Additionally, the algorithm generates a continuous line representation of each dislocation segment in the crystal andmore » also identifies dislocation junctions.« less

Contact problem on indentation of an elastic half-plane with an inhomogeneous coating by a flat punch in the presence of tangential stresses on a surface

NASA Astrophysics Data System (ADS)

Volkov, Sergei S.; Vasiliev, Andrey S.; Aizikovich, Sergei M.; Sadyrin, Evgeniy V.

2018-05-01

Indentation of an elastic half-space with functionally graded coating by a rigid flat punch is studied. The half-plane is additionally subjected to distributed tangential stresses. Tangential stresses are represented in a form of Fourier series. The problem is reduced to the solution of two dual integral equations over even and odd functions describing distribution of unknown normal contact stresses. The solutions of these dual integral equations are constructed by the bilateral asymptotic method. Approximated analytical expressions for contact normal stresses are provided.

Elastic-plastic deformation of molybdenum single crystals shocked along [100

DOE PAGES

Mandal, A.; Gupta, Y. M.

2017-01-24

To understand the elastic-plastic deformation response of shock-compressed molybdenum (Mo) – a body-centered cubic (BCC) metal, single crystal samples were shocked along the [100] crystallographic orientation to an elastic impact stress of 12.5 GPa. Elastic-plastic wave profiles, measured at different propagation distances ranging between ~0.23 to 2.31 mm using laser interferometry, showed a time-dependent material response. Within experimental scatter, the measured elastic wave amplitudes were nearly constant over the propagation distances examined. These data point to a large and rapid elastic wave attenuation near the impact surface, before reaching a threshold value (elastic limit) of ~3.6 GPa. Numerical simulations ofmore » the measured wave profiles, performed using a dislocation-based continuum model, suggested that {110}<111> and/or {112}<111> slip systems are operative under shock loading. In contrast to shocked metal single crystals with close-packed structures, the measured wave profiles in Mo single crystals could not be explained in terms of dislocation multiplication alone. A dislocation generation mechanism, operative for shear stresses larger than that at the elastic limit, was required to model the rapid elastic wave attenuation and to provide a good overall match to the measured wave profiles. However, the physical basis for this mechanism was not established for the high-purity single crystal samples used in this study. As a result, the numerical simulations also suggested that Mo single crystals do not work harden significantly under shock loading in contrast to the behavior observed under quasi-static loading.« less

The taming of the screw: Or how I learned to stop worrying and love elliptic functions

NASA Astrophysics Data System (ADS)

Matsumoto, Elisabetta A.

2011-12-01

Nonlinear elastic phenomena appear time and again in the world around us. This work considers two separate soft matter systems, instabilities in an elastic membrane perforated by a lattice of circular holes and defect textures in smectic liquid crystals. By studying the set of singularities characterizing each system, not only do the analytics become tractable, we gain intuition and insight into complex structures. Under hydrostatic compression, the holes decorating an elastic sheet undergo a buckling instability and collapse. By modeling each of the buckled holes as a pair of dislocation singularities, linear elasticity theory accurately captures the interactions between holes and predicts the pattern transformation they undergo. The diamond plate pattern generated by a square lattice of holes achieves long ranged order due to the broken symmetry of the underlying lattice. The limited number of two dimensional lattices restricts the classes of patterns that can be produced by a at sheet. By changing the topology of the membrane to a cylinder the types of accessible patterns vastly increases, from a chiral wrapped cylinder to pairs of holes alternating orientations to even more complex structures. Equally spaced layered smectics introduce a plethora of geometric constraints yielding novel textures based upon topological defects. The frustration due to the incompatibility of molecular chirality and layers drives the formation of both the venerable twist-grain-boundary phase and the newly discovered helical nanofilament (HN) phase. The HN phase is a newly found solution of the chiral Landau-de Gennes free energy. Finally, we consider two limiting cases of the achiral Landau-de Gennes free energy, bending energy dominated allows defects in the layers and compression energy dominated enforces equally spaced layers. In order to minimize bending energy, smectic layers assume the morphology of minimal surfaces. Riemann's minimal surface is composed of a nonlinear sum of two oppositely handed screw dislocations and has the morphology of a pore. Likewise, focal conic domains result from enforcing the equal spacing condition. We develop an approach to the study of focal sets in smectics which exploits a hidden Poincare symmetry revealed only by viewing the smectic layers as projections from one-higher dimension.

Mathematical Modeling of Torsional Surface Wave Propagation in a Non-Homogeneous Transverse Isotropic Elastic Solid Semi-Infinite Medium Under a Layer

NASA Astrophysics Data System (ADS)

Sethi, M.; Sharma, A.; Vasishth, A.

2017-05-01

The present paper deals with the mathematical modeling of the propagation of torsional surface waves in a non-homogeneous transverse isotropic elastic half-space under a rigid layer. Both rigidities and density of the half-space are assumed to vary inversely linearly with depth. Separation of variable method has been used to get the analytical solutions for the dispersion equation of the torsional surface waves. Also, the effects of nonhomogeneities on the phase velocity of torsional surface waves have been shown graphically. Also, dispersion equations have been derived for some particular cases, which are in complete agreement with some classical results.

Te homogeneous precipitation in Ge dislocation loop vicinity

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

Perrin Toinin, J.; Portavoce, A., E-mail: alain.portavoce@im2np.fr; Texier, M.

2016-06-06

High resolution microscopies were used to study the interactions of Te atoms with Ge dislocation loops, after a standard n-type doping process in Ge. Te atoms neither segregate nor precipitate on dislocation loops, but form Te-Ge clusters at the same depth as dislocation loops, in contradiction with usual dopant behavior and thermodynamic expectations. Atomistic kinetic Monte Carlo simulations show that Te atoms are repulsed from dislocation loops due to elastic interactions, promoting homogeneous Te-Ge nucleation between dislocation loops. This phenomenon is enhanced by coulombic interactions between activated Te{sup 2+} or Te{sup 1+} ions.

Theory, modeling, and simulation of structural and functional materials: Micromechanics, microstructures, and properties

NASA Astrophysics Data System (ADS)

Jin, Yongmei

In recent years, theoretical modeling and computational simulation of microstructure evolution and materials property has been attracting much attention. While significant advances have been made, two major challenges remain. One is the integration of multiple physical phenomena for simulation of complex materials behavior, the other is the bridging over multiple length and time scales in materials modeling and simulation. The research presented in this Thesis is focused mainly on tackling the first major challenge. In this Thesis, a unified Phase Field Microelasticity (PFM) approach is developed. This approach is an advanced version of the phase field method that takes into account the exact elasticity of arbitrarily anisotropic, elastically and structurally inhomogeneous systems. The proposed theory and models are applicable to infinite solids, elastic half-space, and finite bodies with arbitrary-shaped free surfaces, which may undergo various concomitant physical processes. The Phase Field Microelasticity approach is employed to formulate the theories and models of martensitic transformation, dislocation dynamics, and crack evolution in single crystal and polycrystalline solids. It is also used to study strain relaxation in heteroepitaxial thin films through misfit dislocation and surface roughening. Magnetic domain evolution in nanocrystalline thin films is also investigated. Numerous simulation studies are performed. Comparison with analytical predictions and experimental observations are presented. Agreement verities the theory and models as realistic simulation tools for computational materials science and engineering. The same Phase Field Microelasticity formalism of individual models of different physical phenomena makes it easy to integrate multiple physical processes into one unified simulation model, where multiple phenomena are treated as various relaxation modes that together act as one common cooperative phenomenon. The model does not impose a priori constraints on possible microstructure evolution paths. This gives the model predicting power, where material system itself "chooses" the optimal path for multiple processes. The advances made in this Thesis present a significant step forward to overcome the first challenge, mesoscale multi-physics modeling and simulation of materials. At the end of this Thesis, the way to tackle the second challenge, bridging over multiple length and time scales in materials modeling and simulation, is discussed based on connection between the mesoscale Phase Field Microelasticity modeling and microscopic atomistic calculation as well as macroscopic continuum theory.

Comparative analysis of strain fields in layers of step-graded metamorphic buffers of various designs

NASA Astrophysics Data System (ADS)

Aleshin, A. N.; Bugaev, A. S.; Ruban, O. A.; Tabachkova, N. Yu.; Shchetinin, I. V.

2017-10-01

Spatial distribution of residual elastic strain in the layers of two step-graded metamophic buffers of various designs, grown by molecular beam epitaxy from ternary InxAl1-xAs solutions on GaAs(001) substrates, is obtained using reciprocal space mapping by three-axis X-ray diffractometry and the linear theory of elasticity. The difference in the design of the buffers enabled the formation of a dislocation-free layer with different thickness in each of the heterostructures, which was the main basis of this study. It is shown that, in spite of the different design of graded metamorphic buffers, the nature of strain fields in them is the same, and the residual elastic strains in the final elements of both buffers adjusted for the effect of work hardening subject to the same phenomenological law, which describes the strain relief process in single-layer heterostructures.

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

Steady sliding frictional contact problem for a 2d elastic half-space with a discontinuous friction coefficient and related stress singularities

NASA Astrophysics Data System (ADS)

Ballard, Patrick

2016-12-01

The steady sliding frictional contact problem between a moving rigid indentor of arbitrary shape and an isotropic homogeneous elastic half-space in plane strain is extensively analysed. The case where the friction coefficient is a step function (with respect to the space variable), that is, where there are jumps in the friction coefficient, is considered. The problem is put under the form of a variational inequality which is proved to always have a solution which, in addition, is unique in some cases. The solutions exhibit different kinds of universal singularities that are explicitly given. In particular, it is shown that the nature of the universal stress singularity at a jump of the friction coefficient is different depending on the sign of the jump.

Surface displacements and energy release rates for constant stress drop slip zones in joined elastic quarter spaces

NASA Astrophysics Data System (ADS)

Rodgers, Michael J.; Wen, Shengmin; Keer, Leon M.

2000-08-01

A three-dimensional quasi-static model of faulting in an elastic half-space with a horizontal change of material properties (i.e., joined elastic quarter spaces) is considered. A boundary element method is used with a stress drop slip zone approach so that the fault surface relative displacements as well as the free surface displacements are approximated in elements over their respective domains. Stress intensity factors and free surface displacements are calculated for a variety of cases to show the phenomenological behavior of faulting in such a medium. These calculations showed that the behavior could be distinguished from a uniform half-space. Slip in a stiffer material increases, while slip in a softer material decreases the energy release rate and the free surface displacements. Also, the 1989 Kalapana earthquake was located on the basis of a series of forward searches using this method and leveling data. The located depth is 8 km, which is the closer to the seismically inferred depth than that determined from other models. Finally, the energy release rate, which can be used as a fracture criterion for fracture at this depth, is calculated to be 11.1×106 J m-2.

Pair Interaction of Dislocations in Two-Dimensional Crystals

NASA Astrophysics Data System (ADS)

Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.

2005-10-01

The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.

Adhesive contact between a rigid spherical indenter and an elastic multi-layer coated substrate

PubMed Central

Stan, Gheorghe; Adams, George G.

2016-01-01

In this work the frictionless, adhesive contact between a rigid spherical indenter and an elastic multi-layer coated half-space was investigated by means of an integral transform formulation. The indented multi-layer coats were considered as made of isotropic layers that are perfectly bonded to each other and to an isotropic substrate. The adhesive interaction between indenter and contacting surface was treated as Maugis-type adhesion to provide general applicability within the entire range of adhesive interactions. By using a transfer matrix method, the stress-strain equations of the system were reduced to two coupled integral equations for the stress distribution under the indenter and the ratio between the adhesion radius and the contact radius, respectively. These resulting integral equations were solved through a numerical collocation technique, with solutions for the load dependencies of the contact radius and indentation depth for various values of the adhesion parameter and layer composition. The method developed here can be used to calculate the force-distance response of adhesive contacts on various inhomogeneous half-spaces that can be modeled as multi-layer coated half-spaces. PMID:27574338

Dynamic response of a poroelastic half-space to accelerating or decelerating trains

NASA Astrophysics Data System (ADS)

Cao, Zhigang; Boström, Anders

2013-05-01

The dynamic response of a fully saturated poroelastic half-space due to accelerating or decelerating trains is investigated by a semi-analytical method. The ground is modeled as a saturated poroelastic half-space and Biot's theory is applied to characterize the soil medium, taking the coupling effects between the soil skeleton and the pore fluid into account. A detailed track system is considered incorporating rails, sleepers and embankment, which are modeled as Euler-Bernoulli beams, an anisotropic Kirchhoff plate, and an elastic layer, respectively. The acceleration or deceleration of the train is simulated by properly choosing the time history of the train speed using Fourier transforms combined with Fresnel integrals in the transformed domain. The time domain results are obtained by the fast Fourier transform (FFT). It is found that the deceleration of moving trains can cause a significant increase to the ground vibrations as well as the excess pore water pressure responses at the train speed 200 km/h. Furthermore, the single-phase elastic soil model would underestimate the vertical displacement responses caused by both the accelerating and decelerating trains at the speed 200 km/h.

Application of low-order potential solutions to higher-order vertical traction boundary problems in an elastic half-space

PubMed Central

Taylor, Adam G.

2018-01-01

New solutions of potential functions for the bilinear vertical traction boundary condition are derived and presented. The discretization and interpolation of higher-order tractions and the superposition of the bilinear solutions provide a method of forming approximate and continuous solutions for the equilibrium state of a homogeneous and isotropic elastic half-space subjected to arbitrary normal surface tractions. Past experimental measurements of contact pressure distributions in granular media are reviewed in conjunction with the application of the proposed solution method to analysis of elastic settlement in shallow foundations. A numerical example is presented for an empirical ‘saddle-shaped’ traction distribution at the contact interface between a rigid square footing and a supporting soil medium. Non-dimensional soil resistance is computed as the reciprocal of normalized surface displacements under this empirical traction boundary condition, and the resulting internal stresses are compared to classical solutions to uniform traction boundary conditions. PMID:29892456

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.

The geometry of discombinations and its applications to semi-inverse problems in anelasticity

PubMed Central

Yavari, Arash; Goriely, Alain

2014-01-01

The geometrical formulation of continuum mechanics provides us with a powerful approach to understand and solve problems in anelasticity where an elastic deformation is combined with a non-elastic component arising from defects, thermal stresses, growth effects or other effects leading to residual stresses. The central idea is to assume that the material manifold, prescribing the reference configuration for a body, has an intrinsic, non-Euclidean, geometrical structure. Residual stresses then naturally arise when this configuration is mapped into Euclidean space. Here, we consider the problem of discombinations (a new term that we introduce in this paper), that is, a combined distribution of fields of dislocations, disclinations and point defects. Given a discombination, we compute the geometrical characteristics of the material manifold (curvature, torsion, non-metricity), its Cartan's moving frames and structural equations. This identification provides a powerful algorithm to solve semi-inverse problems with non-elastic components. As an example, we calculate the residual stress field of a cylindrically symmetric distribution of discombinations in an infinite circular cylindrical bar made of an incompressible hyperelastic isotropic elastic solid. PMID:25197257

Rupture parameters of the 2003 Zemmouri (Mw 6.8), Algeria, earthquake from joint inversion of interferometric synthetic aperture radar, coastal uplift, and GPS

USGS Publications Warehouse

Belabbes, S.; Wicks, Charles; Cakir, Z.; Meghraoui, M.

2009-01-01

We study the surface deformation associated with the 21 May 2003 (M w = 6.8) Zemmouri (Algeria) earthquake, the strongest seismic event felt in the Algiers region since 1716. The thrust earthquake mechanism and related surface deformation revealed an average 0.50 m coastal uplift along ??55-km-long coastline. We obtain coseismic interferograms using Envisat advanced synthetic aperture radar (ASAR) (IS2) and RADARSAT standard beam (ST4) data from both the ascending and descending orbits of Envisat satellite, whereas the RADARSAT data proved useful only in the descending mode. While the two RADARSAT interferograms cover the earthquake area, Envisat data cover only the western half of the rupture zone. Although the interferometric synthetic aperture radar (InSAR) coherence in the epicenter area is poor, deformation fringes are observed along the coast in different patches. In the Boumerdes area, the maximum coseismic deformation is indicated by the high gradient of fringes visible in all interferograms in agreement with field measurements (tape, differential GPS, leveling, and GPS). To constrain the earthquake rupture parameters, we model the interferograms and uplift measurements using elastic dislocations on triangular fault patches in an elastic and homogeneous half-space. We invert the coseismic slip using first, a planar surface and second, a curved fault, both constructed from triangular elements using Poly3Dinv program that uses a damped least square minimization. The best fit of InSAR, coastal uplift, and GPS data corresponds to a 65-km-long fault rupture dipping 40?? to 50?? SE, located at 8 to 13 km offshore with a change in strike west of Boumerdes from N60??-65?? to N95??-105??. The inferred rupture geometry at depth correlates well with the seismological results and may have critical implications for the seismic hazard assessment of the Algiers region. Copyright 2009 by the American Geophysical Union.

Anomalous elastic response of silicon to uniaxial shock compression on nanosecond time scales.

PubMed

Loveridge-Smith, A; Allen, A; Belak, J; Boehly, T; Hauer, A; Holian, B; Kalantar, D; Kyrala, G; Lee, R W; Lomdahl, P; Meyers, M A; Paisley, D; Pollaine, S; Remington, B; Swift, D C; Weber, S; Wark, J S

2001-03-12

We have used x-ray diffraction with subnanosecond temporal resolution to measure the lattice parameters of orthogonal planes in shock compressed single crystals of silicon (Si) and copper (Cu). Despite uniaxial compression along the (400) direction of Si reducing the lattice spacing by nearly 11%, no observable changes occur in planes with normals orthogonal to the shock propagation direction. In contrast, shocked Cu shows prompt hydrostaticlike compression. These results are consistent with simple estimates of plastic strain rates based on dislocation velocity data.

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.

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.

The high-frequency dispersion coefficient for the Rayleigh velocity in a vertically inhomogeneous anisotropic half-space.

PubMed

Shuvalov, A L

2008-05-01

For an arbitrary anisotropic half-space with continuous vertical variation of material properties, an explicit closed-form expression for the coefficient B of high-frequency dispersion of the Rayleigh velocity v(R)(omega) approximately v(R)(0)(1+B/omega) is derived. The result involves two matrices, one consisting of the surface-traction derivatives in velocity and the other of its Wentzel-Kramers-Brillouin coefficients, which are contracted with an amplitude vector of the Rayleigh wave in the reference homogeneous half-space. The "ingredients" are routinely defined through the fundamental elasticity matrix and its first derivative, both taken at v=v(R)(0) and referred to the surface.

Periodic Viscous Shear Heating Instability in Fine-Grained Shear Zones: Possible Mechanism for Intermediate Depth Earthquakes and Slow Earthquakes?

NASA Astrophysics Data System (ADS)

Kelemen, P. B.; Hirth, G.

2004-12-01

Localized ductile shear zones with widths of cm to m are observed in exposures of Earth's shallow mantle (e.g., Kelemen & Dick JGR 95; Vissers et al. Tectonophys 95) and dredged from oceanic fracture zones (e.g., Jaroslow et al. Tectonophys 96). These are mylonitic (grain size 10 to 100 microns) and record mineral cooling temperatures from 1100 to 600 C. Pseudotachylites in a mantle shear zone show that shear heating temperatures can exceed the mantle solidus (e.g., Obata & Karato Tectonophys 95). Simple shear, recrystallization, and grain boundary sliding all decrease the spacing between pyroxenes, so olivine grain growth at lower stress is inhibited; thus, once formed, these shear zones do not "heal" on geological time scales. Reasoning that grain-size sensitive creep will be localized within these shear zones, rather than host rocks (grain size 1 to 10 mm), and inspired by the work of Whitehead & Gans (GJRAS 74), we thought these might undergo repeated shear heating instabilities. In this view, as elastic stress increases, the shear zone weakens via shear heating; rapid deformation of the weak shear zone releases most stored elastic stress; lower stress and strain rate coupled with diffusion of heat into host rocks leads to cooling and strengthening, after which the cycle repeats. We constructed a simple numerical model incorporating olivine flow laws for dislocation creep, diffusion creep, grain boundary sliding, and low T plasticity. We assumed that viscous deformation remains localized in shear zones, surrounded by host rocks undergoing elastic deformation. We fixed the velocity along one side of an elastic half space, and calculated stress due to elastic strain. This stress drives viscous deformation in a shear zone of specified width. Shear heating and thermal diffusion control temperature evolution in the shear zone and host rocks. A maximum of 1400 C (where substantial melting of peridotite would occur) is imposed. Grain size evolves during dislocation creep and grain boundary sliding as a function of stress and strain, and undergoes diffusive growth during diffusion creep. For strain rates ca E-13 per second and initial temperatures ca 600 to 850 C, this model produces periodic viscous shear heating events with periods of 100's of years. Strain rates during these events approach 1 per second as temperatures reach 1400 C, so future models will incorporate inertial terms in the stress. Cooling between events returns the shear zone almost to its initial temperature, but ultimately shear zone temperature between events exceeds 850 C resulting in stable viscous creep. Back of the envelope calculations based on model results support the view that viscous deformation in both shear zone and host will be mainly via grain-size sensitive creep, and thus deformation will remain localized in shear zones. Similarly, we infer that inertial terms will remain small. Future models will test and quantify these inferences. The simple model described above provides an attractive explanation for intermediate-depth earthquakes, especially those in subduction zones that occur in a narrow thermal window (e.g., Hacker et al JGR 2003). We think that a "smoother"periodic instability might be produced via the same mechanism in weaker materials, which could provide a viscous mechanism for some slow earthquakes. By AGU, we will construct a second, simple model using quartz rheology to investigate this. Finally, coupling of viscous shear heating instabilities in the shallow mantle with brittle stick-slip deformation in the weaker, overlying crust may influence earthquake frequency.

Effect of rotation on the elastic moduli of solid 4He

NASA Astrophysics Data System (ADS)

Tsuiki, T.; Takahashi, D.; Murakawa, S.; Okuda, Y.; Kono, K.; Shirahama, K.

2018-02-01

We report measurements of elastic moduli of hcp solid 4He down to 15 mK when the samples are rotated unidirectionally. Recent investigations have revealed that the elastic behavior of solid 4He is dominated by gliding of dislocations and pinning of them by 3He impurities, which move in the solidlike Bloch waves (impuritons). Motivated by the recent controversy of torsional oscillator studies, we have performed direct measurements of shear and Young's moduli of annular solid 4He using pairs of quarter-circle-shape piezoelectric transducers (PZTs) while the whole apparatus is rotated with angular velocity Ω up to 4 rad/s. We have found that shear modulus μ is suppressed by rotation below 80 mK, when shear strain applied by PZT exceeds a critical value, above which μ decreases because the shear strain unbinds dislocations from 3He impurities. The rotation-induced decrement of μ at Ω =4 rad/s is about 14.7(12.3)% of the total change of temperature dependent μ for solid samples of pressure 3.6(5.4) MPa. The decrements indicate that the probability of pinning of 3He on dislocation segment G decreases by several orders of magnitude. We propose that the motion of 3He impuritons under rotation becomes strongly anisotropic by the Coriolis force, resulting a decrease in G for dislocation lines aligning parallel to the rotation axis.

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.

Three-Dimensional Stresses in a Half Space Caused by Penny-Shaped Inclusions

DTIC Science & Technology

1988-08-19

eigenstrains [111, and Green’s function in the half space 112]. Mura has recently reviewed these research efforts [13]. When the elastic moduli of an...external stress field uq is applied. On the other hand, a material containing inclusions is subjected to an internal stress caused by the eigenstrain J...even if it is free from any external loads. The definition of eigenstrains has been given by Mura [13] and is the same as the stress-free

Rheology of the lithosphere inferred from postseismic uplift following the 1959 Hebgen Lake earthquake

USGS Publications Warehouse

Nishimura, T.; Thatcher, W.

2003-01-01

We have modeled the broad postseismic uplift measured by geodetic leveling in the epicentral area of the 1959 Mw = 7.3 Hebgen Lake, Montana earthquake, a normal faulting event in the northern Basin and Range province. To fit the observed uplift we calculate synthetic postseismic deformation using the relaxation response of a gravitational viscoelastic Earth to the earthquake. For a model with an elastic plate overlying a viscoelastic half-space, we find that the elastic thickness is 38 ?? 8 km, which isclose to the local crustal thickness. The half-space viscosity is estimated at 4 ?? 1018??0.5 Pa s. The leveling data do not require a viscous lower crust but permit a lower bound viscosity of 1020 Pa s. The observed broad uplift cannot be explained by physically plausible afterslip on and below the coseismic fault. However, local deformation across the coseismic surface rupture requires shallow afterslip reaching the surface. The postseismic deformation induced by the estimated viscoelastic structure decays exponentially with a time constant of ???15 years. Because of coupling between the elastic layer and the viscoelastic substrate, this relaxation time is significantly longer than the 2 year Maxwell relaxation time of the viscous half-space itself. Our result suggests the importance of postseismic relaxation in interpreting high-precision global positioning system velocities. For example, our model results suggest that postseismic transient velocities from both the 1959 Hebgen Lake and the 1983 Mw = 6.9 Borah Peak earthquakes are currently as large as 1-2 mm/yr.

Wave Propagation Problems in Certain Elastic Anisotropic Half Spaces.

DTIC Science & Technology

1980-12-01

874-882. 33. Paul , S.L., and Robinson, A.R., "Interaction of Plane Elastic Waves with a Cylindrical Cavity," Technical Documentary Report Mo. RTD...Professor Paul M. Naghdi University of California Department of Mechanical Engineering Berkeley, California 94720 Professor A. J. Durelli Oakland...Burt Paul University of Pennsylvania Towne School of Civil and Mechanical Engineering Philadelphia, Pennsylvania 19104 Professor H. W. Liu Syracuse

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.

Free-end adaptive nudged elastic band method for locating transition states in minimum energy path calculation.

PubMed

Zhang, Jiayong; Zhang, Hongwu; Ye, Hongfei; Zheng, Yonggang

2016-09-07

A free-end adaptive nudged elastic band (FEA-NEB) method is presented for finding transition states on minimum energy paths, where the energy barrier is very narrow compared to the whole paths. The previously proposed free-end nudged elastic band method may suffer from convergence problems because of the kinks arising on the elastic band if the initial elastic band is far from the minimum energy path and weak springs are adopted. We analyze the origin of the formation of kinks and present an improved free-end algorithm to avoid the convergence problem. Moreover, by coupling the improved free-end algorithm and an adaptive strategy, we develop a FEA-NEB method to accurately locate the transition state with the elastic band cut off repeatedly and the density of images near the transition state increased. Several representative numerical examples, including the dislocation nucleation in a penta-twinned nanowire, the twin boundary migration under a shear stress, and the cross-slip of screw dislocation in face-centered cubic metals, are investigated by using the FEA-NEB method. Numerical results demonstrate both the stability and efficiency of the proposed method.

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

Li, B.; The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207; Wang, L.

With large-scale molecular dynamics simulations, we investigate shock response of He nanobubbles in single crystal Cu. For sufficient bubble size or internal pressure, a prismatic dislocation loop may form around a bubble in unshocked Cu. The internal He pressure helps to stabilize the bubble against plastic deformation. However, the prismatic dislocation loops may partially heal but facilitate nucleation of new shear and prismatic dislocation loops. For strong shocks, the internal pressure also impedes internal jetting, while a bubble assists local melting; a high speed jet breaks a He bubble into pieces dispersed among Cu. Near-surface He bubbles may burst andmore » form high velocity ejecta containing atoms and small fragments, while the ejecta velocities do not follow the three-dimensional Maxwell-Boltzmann distributions expected for thermal equilibrium. The biggest fragment size deceases with increasing shock strength. With a decrease in ligament thickness or an increase in He bubble size, the critical shock strength required for bubble bursting decreases, while the velocity range, space extension and average velocity component along the shock direction, increase. Small bubbles are more efficient in mass ejecting. Compared to voids and perfect single crystal Cu, He bubbles have pronounced effects on shock response including bubble/void collapse, Hugoniot elastic limit (HEL), deformation mechanisms, and surface jetting. HEL is the highest for perfect single crystal Cu with the same orientations, followed by He bubbles without pre-existing prismatic dislocation loops, and then voids. Complete void collapse and shear dislocations occur for embedded voids, as opposed to partial collapse, and shear and possibly prismatic dislocations for He bubbles. He bubbles lower the threshhold shock strength for ejecta formation, and increase ejecta velocity and ejected mass.« less

Three-dimensional formulation of dislocation climb

NASA Astrophysics Data System (ADS)

Gu, Yejun; Xiang, Yang; Quek, Siu Sin; Srolovitz, David J.

2015-10-01

We derive a Green's function formulation for the climb of curved dislocations and multiple dislocations in three-dimensions. In this new dislocation climb formulation, the dislocation climb velocity is determined from the Peach-Koehler force on dislocations through vacancy diffusion in a non-local manner. The long-range contribution to the dislocation climb velocity is associated with vacancy diffusion rather than from the climb component of the well-known, long-range elastic effects captured in the Peach-Koehler force. Both long-range effects are important in determining the climb velocity of dislocations. Analytical and numerical examples show that the widely used local climb formula, based on straight infinite dislocations, is not generally applicable, except for a small set of special cases. We also present a numerical discretization method of this Green's function formulation appropriate for implementation in discrete dislocation dynamics (DDD) simulations. In DDD implementations, the long-range Peach-Koehler force is calculated as is commonly done, then a linear system is solved for the climb velocity using these forces. This is also done within the same order of computational cost as existing discrete dislocation dynamics methods.

Ultrasonic influence on evolution of disordered dislocation structures

NASA Astrophysics Data System (ADS)

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

2017-12-01

Evolution of disordered dislocation structures under ultrasonic influence is studied in a model two-dimensional grain within the discrete-dislocation approach. Non-equilibrium grain boundary state is mimicked by a mesodefect located at the corners of the grain, stress field of which is described by that of a wedge junction disclination quadrupole. Significant rearrangement related to gliding of lattice dislocations towards the grain boundaries is found, which results in a noticeable reduction of internal stress fields and cancel of disclination quadrupole. The process of dislocation structure evolution passes through two stages: rapid and slow. The main dislocation rearrangement occurs during the first stage. Reduction of internal stress fields is associated with the number of dislocations entered into the grain boundaries. The change of misorientation angle due to lattice dislocations absorbed by the grain boundaries is evaluated. Amplitude of ultrasonic treatment significantly influences the relaxation of dislocation structure. Preliminary elastic relaxation of dislocation structure does not affect substantially the results of the following ultrasonic treatment. Substantial grain size dependence of relaxation of disordered dislocation systems is found. Simulation results are consistent with experimental data.

Crustal deformation along the San Andreas, California

NASA Technical Reports Server (NTRS)

Li, Victor C.

1992-01-01

The goal is to achieve a better understanding of the regional and local deformation and crustal straining processes in western North America, particularly the effects of the San Andreas and nearby faults on the spatial and temporal crustal deformation behavior. Construction of theoretical models based on the mechanics of coupled elastic plate, viscoelastic foundation and large scale crack mechanics provide a rational basis for the interpretation of seismic and aseismic anomalies and expedite efforts in forecasting the stability of plate boundary deformation. Special focus is placed on the three dimensional time dependent surface deformation due to localized slippage in a elastic layer coupled to a visco-elastic substrate. The numerical analysis is based on a 3-D boundary element technique. Extension to visco-elastic coupling demands the derivation of 3-D time dependent Green's function. This method was applied to analyze the viscoelastic surface displacements due to a dislocated embedded patch. Surface uplift as a function of time and position are obtained. Comparisons between surface uplift for long and short dislocated patches are made.

PREFACE: Festschrift to mark the sixtieth birthday of Professor Jens Lothe

NASA Astrophysics Data System (ADS)

Jøssang, Torstein; Barnett, David M.

1992-01-01

The collection of papers in this Festschrift represents the proceedings of a symposium held at the Norwegian Academy of Science and Letters on November 25-26, 1991, marking the occasion of the sixtieth birthday of Professor Jens Lothe. The symposium organizers attempted to invite contributors, either written, oral, or both, from a group of international scientists who have either collaborated with Jens in the past or whose work has had a significant impact in one of three areas in which Jens has focussed his own research interests, namely, statistical physics, elasticity and elastic waves, and the theory of dislocations in crystalline solids. The extent to which we have succeeded in obtaining a proper spectrum of contributors and contributions must be judged by the readers of this volume. It is rather rare in modern times to encounter a physicist such as Jens who has made seminal contributions in fields as diverse as the three included in this Festschrift. For this reason it is both historically interesting and instructive to follow the path that Jens Lothe's research career has taken him, since doing so clearly points out the international nature of the scientific endeavor and the fact that the search for scientific truth transcends national borders and governmental ideologies. Jens' postdoctoral studies at the University of Bristol in the late 1950s brought him in contact with an American postdoctoral student, John Hirth, who had worked on nucleation theory and condensation under the late Professor G M Pound at Carnegie-Mellon University. (Alex Maradudin, one of the contributors to the surface wave session of this symposium was also a postdoctoral fellow at Bristol at this time.) Both Lothe and Hirth had come to Bristol to acquaint themselves with dislocation theory; their first joint paper on double-kink nucleation theory was followed by numerous joint efforts, including their now-classic book Theory of Dislocations. Clearly, their interaction jelled. As legend has it, Hirth, recognizing Jens' interests and talents in statistical physics, brought Lothe to Pound's attention. Jens accepted an invitation to spend time at Carnegie-Mellon as a visiting faculty member, a stay which ultimately resulted in a series of penetrating papers on nucleation theory with Pound, Ken Russell (a student of Pound's, later a postdoctoral fellow with Jens, and a contributor to this symposium), and Jens Feder (a former student of Jens' and co-author of the opening lecture). When Pound later moved to Stanford University, he was fond of saying how at that time nucleation theory needed the strong hand of a good statistical physicist, and that "Jens Lothe showed us how to do it right". Meanwhile, a part of the "Bristol Connection" had moved to Ohio State University, where John Hirth had joined the faculty, and where one of us (TJ, who is also a former student of Jens') had come for postdoctoral work with Hirth on dislocation theory. When Jøssang returned to Oslo, Lothe rejoined Hirth for a year, to continue the preparations for production of the dislocation text several years later. A glance at Jens' publication list shows that upon his return to the physics group in Oslo in the mid 1960s his research interests were turning to the effects of elastic anisotropy in dislocation theory. His 1967 paper "Dislocation Bends in Anisotropic Media" appears immediately before L M Brown's "A Proof of Lothe's Theorem" in the same issue of Philosophical Magazine, the latter paper being stimulated by the former. Together these two articles form the basis for what might be termed the modern geometrical theory of planar dislocation loops. Within a year V L Indenbom and S S Orlov in the Soviet Union would publish the fully three-dimensional version of the theory; Jens was instrumental in bringing to the attention of western scientists the correctness and importance of the Indenbom-Orlov work at the 1969 National Bureau of Standards Conference on Fundamental Aspects of Dislocation Theory (Gaithersburg, Maryland, USA). This familiarity with and appreciation for contemporary Russian work in dislocation theory and (later) in elastic waves, as well as his knowledge of the Russian language, was to become a trademark of Jens during the next 20 years, a point to which we shall return. Kazumi Nishioka, a student of Pound's from Stanford (and a contributor to this symposium) joined Jens for post- doctoral studies in statistical physics in 1970, but soon found himself engaged in anisotropic elasticity and the connection between dislocations in uniform motion and the theory of surface waves (as pointed out by the late A N Stroh in 1962). Lothe and Nishioka wrote to one of us (DMB), who was now at Stanford and pursuing the use of an integral formalism rather than the Stroh sextic formalism for anisotropic elasticity, about the possibility of collaborating on certain aspects of subsonic Rayleigh wave theory. By 1974 Jens and DMB had not only virtually settled the issue of the existence of subsonic surface waves in anisotropic elastic half-spaces, but had embarked on a collaboration which still exists, having produced 24 joint publications. Oddly enough, a key ingredient in resolving the Rayleigh wave problem was somewhat fortuitously recalled by Barnett from a paper he requested from Jens ("Some Unifying Relations for Moving Dislocations", by R J Beltz, T L Davis and K Malen, three of Jens' postdoctoral students in 1967-68) four years prior to their collaboration. Professor Peter Chadwick, FRS (a contributor to the surface wave session), of the School of Mathematics at the University of East Anglia, UK, and his student, G D Smith, placed the Lothe-Barnett theory of subsonic surface waves on a much firmer and comprehensive basis in their beautiful 1977 monograph "Foundations of the Theory of Surface Waves in Anisotropic Elastic Materials"; this work clearly delineated the important notions of limiting speed, first transonic state, and exceptional limiting waves, notions which in a sense lead to what can be called the "Russian Connection" with V L Indenbom, V I Alshits (a contributor to the surface wave session), and their colleagues, as well as the broadening of Jens' interests in elastic waves. Jens' much earlier work on radiation forces on moving dislocations was known and well-appreciated by Indenbom. Following a stay in Oslo as a visiting scientist, Alshits collaborated with Lothe to produce a remarkable series of three papers which clearly showed that degeneracies between slowness branches (acoustic axes) are usually the rule and not the exception in any crystal symmetry class, and that acoustic axes are the anchoring points for lines of exceptional waves on the unit sphere. Later, Professor Per Holm (Mathematics Department, University of Oslo, and a contributor of this volume) and Jens co-authored a deep mathematical study of the topology of bulk wave polarization fields on the unit sphere. In 1981 Alshits and Lothe provided the link between surface wave theory and the theory of bulk wave reflection, which have essentially paved the way for a clearer and more unified view of supersonic surface wave theory. More recent work by Steinar A Gundersen (Jens' most recent doctoral graduate and author of the introductory surface wave paper in this volume), Litian Wang (Jens' present graduate student and a contributor to this volume), and Jens on secluded surface waves and by Chadwick, Lothe and Barnett on one-component surface waves have roots in the 1981 Alshits-Lothe paper. We now eagerly await the appearance of the book Elastic Strain Fields and Dislocation Mobility, co-edited by Jens and V L Indenbom, currently in press through North-Holland, Amsterdam. A glance at the last 30 publications in Jens' vita shows the extent to which his Russian connection has broadened. He has taken great efforts to maintain familiarity with the relevant Russian scientific literature and to nurture and encourage western acquaintance with their work. No doubt his warm personality, natural curiosity and willingness to promote and seize opportunities for collaboration across national boundaries is what has allowed great intellect stationed in a somewhat remote part of the scientific community to engender such a large international following, when other gifted men might have chosen to work in isolation under similar circumstances. Vladimir Alshits may have said it best during his visit to Oslo last April, namely, "There are three Norwegian names known to every Russian—Henrik Ibsen, Fridtjof Nansen and Jens Lothe". None of this is meant to imply that Jens has neglected or ignored his colleagues in Norway. Indeed, quite the contrary is true, but we believe the exposition on the development within the Solid State Group and the Cooperative Phenomena Program at the University of Oslo and at NTH in Trondheim in this symposium and its proceedings, presented by the local staff and present close associates addresses Jens Lothe's contribution on the home front far better than this preface would allow. We believe we speak for all the symposium attendees by extending to Jens the happiest greetings and our best wishes for continued health and happiness.

An IBEM solution to the scattering of plane SH-waves by a lined tunnel in elastic wedge space

NASA Astrophysics Data System (ADS)

Liu, Zhongxian; Liu, Lei

2015-02-01

The indirect boundary element method (IBEM) is developed to solve the scattering of plane SH-waves by a lined tunnel in elastic wedge space. According to the theory of single-layer potential, the scattered-wave field can be constructed by applying virtual uniform loads on the surface of lined tunnel and the nearby wedge surface. The densities of virtual loads can be solved by establishing equations through the continuity conditions on the interface and zero-traction conditions on free surfaces. The total wave field is obtained by the superposition of free field and scattered-wave field in elastic wedge space. Numerical results indicate that the IBEM can solve the diffraction of elastic wave in elastic wedge space accurately and efficiently. The wave motion feature strongly depends on the wedge angle, the angle of incidence, incident frequency, the location of lined tunnel, and material parameters. The waves interference and amplification effect around the tunnel in wedge space is more significant, causing the dynamic stress concentration factor on rigid tunnel and the displacement amplitude of flexible tunnel up to 50.0 and 17.0, respectively, more than double that of the case of half-space. Hence, considerable attention should be paid to seismic resistant or anti-explosion design of the tunnel built on a slope or hillside.

Static and dynamic properties of incommensurate smectic-A(IC) liquid crystals

NASA Technical Reports Server (NTRS)

Lubensky, T. C.; Ramaswamy, Sriram; Toner, John

1988-01-01

The elasticity, topological defects, and hydrodynamics of the incommensurate smectic A(IC) phase liquid crystals are studied. The phase is characterized by two colinear mass density waves of incommensurate spatial frequency. The elastic free energy is formulated in terms of a displacement field and a phason field. It is found that the topological defects of the system are dislocations with a nonzero phason field and phason field components. A two-dimensional Burgers lattice for these dislocations is introduced. It is shown that the hydrodynamic modes of the phase include first- and second-sound modes whose direction-dependent velocities are identical to those in ordinary smectics.

Open dislocation of the proximal interphalangeal joint of the little finger subsequent to chronic radial collateral ligament injury: a case report of primary ligament reconstruction with a half-slip of the flexor digitorum superficialis: Case Report.

PubMed

Wada, Kazuma; Hibino, Naohito; Kondo, Kenji; Yoshioka, Shinji; Terai, Tomoya; Henmi, Tatsuhiko; Sairyo, Koichi

2015-01-01

Open dislocation of the proximal interphalangeal (PIP) joint is relatively rare. We report a case of a 32-year-old man who had open dislocation of the PIP joint of the little finger while playing American football. He had a history of chronic radial collateral ligament injury. We reconstructed the radial collateral ligament with a half-slip of the flexor digitorum superficialis tendon.

Reflection of electromagnetic wave from the boundary of the piezoelectric half-space with cubic symmetry

NASA Astrophysics Data System (ADS)

Berberyan, A. Kh; Garakov, V. G.

2018-04-01

A large number of works have been devoted to investigation of the influence of the piezoelectric properties of a material on the propagation of elastic waves [1–3]. Herewith, the quasi-static piezoelasticity model was mainly used. In the problem of an electromagnetic wave reflection from an elastic medium with piezoelectric properties, it is necessary to consider hyperbolic equations [4].

Estimating Young's modulus of zona pellucida by micropipette aspiration in combination with theoretical models of ovum

PubMed Central

Khalilian, Morteza; Navidbakhsh, Mahdi; Valojerdi, Mojtaba Rezazadeh; Chizari, Mahmoud; Yazdi, Poopak Eftekhari

2010-01-01

The zona pellucida (ZP) is the spherical layer that surrounds the mammalian oocyte. The physical hardness of this layer plays a crucial role in fertilization and is largely unknown because of the lack of appropriate measuring and modelling methods. The aim of this study is to measure the biomechanical properties of the ZP of human/mouse ovum and to test the hypothesis that Young's modulus of the ZP varies with fertilization. Young's moduli of ZP are determined before and after fertilization by using the micropipette aspiration technique, coupled with theoretical models of the oocyte as an elastic incompressible half-space (half-space model), an elastic compressible bilayer (layered model) or an elastic compressible shell (shell model). Comparison of the models shows that incorporation of the layered geometry of the ovum and the compressibility of the ZP in the layered and shell models may provide a means of more accurately characterizing ZP elasticity. Evaluation of results shows that although the results of the models are different, all confirm that the hardening of ZP will increase following fertilization. As can be seen, different choices of models and experimental parameters can affect the interpretation of experimental data and lead to differing mechanical properties. PMID:19828504

The elastic field induced by a hemispherical inclusion in the half-space

NASA Astrophysics Data System (ADS)

Wu, Linzhi

2003-06-01

The elastic field induced by a hekispherical inclusion with uniform eigenstrains in a semi-infinite elastic medium is solved by using the Green's function method and series expansion technique. The exact solutions are presented for the displacement and stress fields which can be expressed by complete elliptic integrals of the first, second, and third kinds and hypergeometric functions. The present method can be used to determine the corresponding elastic fields when the shape of the inclusion is a spherical crown or a spherical segment. Finally, numerical results are given for the displacement and stress fields along the axis of symmetry ( x 3-axis).

Recent Progress in Discrete Dislocation Dynamics and Its Applications to Micro Plasticity

NASA Astrophysics Data System (ADS)

Po, Giacomo; Mohamed, Mamdouh S.; Crosby, Tamer; Erel, Can; El-Azab, Anter; Ghoniem, Nasr

2014-10-01

We present a self-contained review of the discrete dislocation dynamics (DDD) method for the numerical investigation of plasticity in crystals, focusing on recent development and implementation progress. The review covers the theoretical foundations of DDD within the framework of incompatible elasticity, its numerical implementation via the nodal method, the extension of the method to finite domains and several implementation details. Applications of the method to current topics in micro-plasticity are presented, including the size effects in nano-indentation, the evolution of the dislocation microstructure in persistent slip bands, and the phenomenon of dislocation avalanches in micro-pillar compression.

Ultrasonic Attenuation in Normal and Superconducting Indium.

DTIC Science & Technology

1980-05-22

dimension x space coordinate, dislocation displacement dislocation displacement y space coordinate.1z space coordinate x ACKNOWLEDGMENTS The author...The driving force on the dislocation is given by: F=bO (2.7) In general, the dislocation displacement will be a function of three space coordinates...mm diameter, 50 Q impedance coaxial conductors 47 * made of stainless steel and teflon . The cavity button is soldered * directly to the rigid

Simulation of Earthquake-Generated Sea-Surface Deformation

NASA Astrophysics Data System (ADS)

Vogl, Chris; Leveque, Randy

2016-11-01

Earthquake-generated tsunamis can carry with them a powerful, destructive force. One of the most well-known, recent examples is the tsunami generated by the Tohoku earthquake, which was responsible for the nuclear disaster in Fukushima. Tsunami simulation and forecasting, a necessary element of emergency procedure planning and execution, is typically done using the shallow-water equations. A typical initial condition is that using the Okada solution for a homogeneous, elastic half-space. This work focuses on simulating earthquake-generated sea-surface deformations that are more true to the physics of the materials involved. In particular, a water layer is added on top of the half-space that models the seabed. Sea-surface deformations are then simulated using the Clawpack hyperbolic PDE package. Results from considering the water layer both as linearly elastic and as "nearly incompressible" are compared to that of the Okada solution.

Coulomb stress change of crustal faults in Japan for 21 years, estimated from GNSS displacement

NASA Astrophysics Data System (ADS)

Nishimura, T.

2017-12-01

Coulomb stress is one of the simplest index to show how the fault is close to a brittle failure (e.g., earthquake). Many previous studies used the Coulomb stress change (ΔCFS) to evaluate whether the fault approaches failure and successfully explained an earthquake triggered by previous earthquakes and volcanic sources. Most studies use a model of a half-space medium with given rheological properties, boundary conditions, dislocation, etc. to calculate ΔCFS. However, Ueda and Takahashi (2005) proposed to calculate DCFS directly from surface displacement observed by GNSS. There are 6 independent components of stress tensor in an isotropic elastic medium. On the surface of the half-space medium, 3 components should be zero because of no traction on the surface. This means the stress change on the surface is calculated from the surface strain change using Hooke's law. Although an earthquake does not occur on surface, the stress change on the surface may approximate that at a depth of a shallow crustal earthquake (e.g., 10 km) if the source is far from the point at which we calculate the stress change. We tested it by comparing ΔCFS from the surface displacement and that from elastic fault models for past earthquakes. We first estimate a strain change with a method of Shen et al.(1996 JGR) from surface displacement and then calculate ΔCFS for a targeted focal mechanism. Although ΔCFS in the vicinity of the source fault cannot be reproduced from the surface displacement, surface displacement gives a good approximation of ΔCFS in a region 50 km away from the source if the target mechanism is a vertical strike-slip fault. It suggests that GNSS observation can give useful information on a recent change of earthquake potential. We, therefore, calculate the temporal evolution of ΔCFS on active faults in southwest Japan from April 1996 using surface displacement at GNSS stations. We used parameters for the active faults used for evaluation of strong motion by the Earthquake Research Committee. When we use 0.4 for an effective frictional coefficient, ΔCFS increased at most active faults in the Kyushu region by up to 50 KPa for 21 years. On the other hand, ΔCFS did not always increase at active faults in the Kinki region.

Justification and refinement of Winkler–Fuss hypothesis

NASA Astrophysics Data System (ADS)

Kaplunov, J.; Prikazchikov, D.; Sultanova, L.

2018-06-01

Two-parametric asymptotic analysis of the equilibrium of an elastic half-space coated by a thin soft layer is developed. The initial scaling is motivated by the exact solution of the plane problem for a vertical harmonic load. It is established that the Winkler-Fuss hypothesis is valid only for a sufficiently high contrast in the stiffnesses of the layer and the half-space. As an alternative, a uniformly valid non-local approximation is proposed. Higher-order corrections to the Winkler-Fuss formulation, such as the Pasternak model, are also studied.

Stress-Strain State of a Combinational Soil Half-Space During Reconstruction

NASA Astrophysics Data System (ADS)

Prusov, D. E.

2014-03-01

A method for studying the stress-strain state of soil-retaining structures is proposed. It is based on the nonlinear theory of elasticity and plasticity of soils and allows for geometrical and physical nonlinearities. Numerical and analytical results on the stability of a retaining wall are compared. The influence of an inhomogeneous soil half-space on the stress-strain state of a deep-ditch wall is analyzed numerically. A scientific rationale for the redevelopment of densely built-up residential areas under adverse geological engineering conditions is recommended.

Containerless processing of single crystals in low-G environment

NASA Technical Reports Server (NTRS)

Walter, H. U.

1974-01-01

Experiments on containerless crystal growth from the melt were conducted during Skylab missions SL3 and SL4 (Skylab Experiment M-560). Six samples of InSb were processed, one of them heavily doped with selenium. The concept of the experiment is discussed and related to general crystal growth methods and their merits as techniques for containerless processing in space. The morphology of the crystals obtained is explained in terms of volume changes associated with solidification and wetting conditions during solidification. All samples exhibit extremely well developed growth facets. Analysis by X-ray topographical methods and chemical etching shows that the crystals are of high structural perfection. Average dislocation density as revealed by etching is of the order of 100 per sq cm; no dislocation clusters could be observed in the space-grown samples. A sequence of striations that is observed in the first half of the selenium-doped sample is explained as being caused by periodic surface breakdown.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Laser Melt/Particle Injection Processing; Characterization and Performance of Materials

DTIC Science & Technology

1989-05-01

cases of the present more general solution. Closed-form solutions of the elastic field for both the inclusion with nonshear eigenstrain and 27 N GEO...ellipsoidal inclusion with shear eigenstrain in the half-space are obtained by the combination of present innovative method and Mindlin’s point force... eigenstrain which had been accepted by the Journal of Applied Mechanics, and are incorporated herein. Elastic Constants of Films Determined by the

The energy-release rate and “self-force” of dynamically expanding spherical and plane inclusion boundaries with dilatational eigenstrain

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi; Ni, Luqun

2010-01-01

In the context of the linear theory of elasticity with eigenstrains, the radiated field including inertia effects of a spherical inclusion with dilatational eigenstrain radially expanding is obtained on the basis of the dynamic Green's function, and one of the half-space inclusion boundary (with dilatational eigenstrain) moving from rest in general subsonic motion is obtained by a limiting process from the spherically expanding inclusion as the radius tends to infinity while the eigenstrain remains constrained, and this is the minimum energy solution. The global energy-release rate required to move the plane inclusion boundary and to create an incremental region of eigenstrain is defined analogously to the one for moving cracks and dislocations and represents the mechanical rate of work needed to be provide for the expansion of the inclusion. The calculated value, which is the "self-force" of the expanding inclusion, has a static component plus a dynamic one depending only on the current value of the velocity, while in the case of the spherical boundary, there is an additional contribution accounting for the jump in the strain at the farthest part at the back of the inclusion having the time to reach the front boundary, thus making the dynamic "self-force" history dependent.

Instabilities in dynamic anti-plane sliding of an elastic layer on a dissimilar elastic half-space

NASA Astrophysics Data System (ADS)

Kunnath, R.

2012-12-01

The stability of dynamic anti-plane sliding at an interface between an elastic layer and an elastic half-space with dissimilar elastic properties is studied. Friction at the interface is assumed to follow a rate- and state-dependent law, with a positive instantaneous dependence on slip velocity and a rate weakening behavior in the steady state. The perturbations are of the form exp(ikx+pt), where k is the wavenumber, x is the coordinate along the interface, p is the time response to the perturbation and t is time. The results of the stability analysis are shown in Figs. 1 and 2 with the velocity weakening parameter b/a=5, shear wave speed ratio cs'/cs=1.2, shear modulus ratio μ'/μ=1.2 and non-dimensional layer thickness H=100. The normalized instability growth rate and normalized phase velocity are plotted as a function of wavenumber. Fig.1 is for a non-dimensional unperturbed slip velocity ɛ=5 (rapid sliding) while Fig. 2 is for ɛ=0.05 (slow sliding). The results show the destabilization of interfacial waves. For slow sliding, destabilization of interfacial waves is still seen, indicating that the quasi-static approximation to slow sliding is not valid. This is in agreement with the result of Ranjith (Int. J. Solids and Struct., 2009, 46, 3086-3092) who predicted an instability of long-wavelength Love waves in slow sliding.

Bright x-rays reveal shifting deformation states and effects of the microstructure on the plastic deformation of crystalline materials

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

Beaudoin, A. J.; Shade, P. A.; Schuren, J. C.

The plastic deformation of crystalline materials is usually modeled as smoothly progressing in space and time, yet modern studies show intermittency in the deformation dynamics of single-crystals arising from avalanche behavior of dislocation ensembles under uniform applied loads. However, once the prism of the microstructure in polycrystalline materials disperses and redistributes the load on a grain-by-grain basis, additional length and time scales are involved. Thus, the question is open as to how deformation intermittency manifests for the nonuniform grain-scale internal driving forces interacting with the finer-scale dislocation ensemble behavior. In this work we track the evolution of elastic strain withinmore » individual grains of a creep-loaded titanium alloy, revealing widely varying internal strains that fluctuate over time. Here, the findings provide direct evidence of how flow intermittency proceeds for an aggregate of ~700 grains while showing the influences of multiscale ensemble interactions and opening new avenues for advancing plasticity modeling.« less

Bright x-rays reveal shifting deformation states and effects of the microstructure on the plastic deformation of crystalline materials

DOE PAGES

Beaudoin, A. J.; Shade, P. A.; Schuren, J. C.; ...

2017-11-30

The plastic deformation of crystalline materials is usually modeled as smoothly progressing in space and time, yet modern studies show intermittency in the deformation dynamics of single-crystals arising from avalanche behavior of dislocation ensembles under uniform applied loads. However, once the prism of the microstructure in polycrystalline materials disperses and redistributes the load on a grain-by-grain basis, additional length and time scales are involved. Thus, the question is open as to how deformation intermittency manifests for the nonuniform grain-scale internal driving forces interacting with the finer-scale dislocation ensemble behavior. In this work we track the evolution of elastic strain withinmore » individual grains of a creep-loaded titanium alloy, revealing widely varying internal strains that fluctuate over time. Here, the findings provide direct evidence of how flow intermittency proceeds for an aggregate of ~700 grains while showing the influences of multiscale ensemble interactions and opening new avenues for advancing plasticity modeling.« less

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Pressure Dependence of the Peierls Stress in Aluminum

NASA Astrophysics Data System (ADS)

Dang, Khanh; Spearot, Douglas

2018-03-01

The effect of pressure applied normal to the {111} slip plane on the Peierls stress in Al is studied via atomistic simulations. Edge, screw, 30°, and 60° straight dislocations are created using the Volterra displacement fields for isotropic elasticity. For each dislocation character angle, the Peierls stress is calculated based on the change in the internal energy, which is an invariant measure of the dislocation driving force. It is found that the Peierls stress for dislocations under zero pressure is in general agreement with previous results. For screw and 60° dislocations, the Peierls stress versus pressure relationship has maximum values associated with stacking fault widths that are multiples of the Peierls period. For the edge dislocation, the Peierls stress decreases with increasing pressure from tension to compression. Compared with the Mendelev potential, the Peierls stress calculated from the Mishin potential is more sensitive to changes in pressure.

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.

Contact and crack problems for an elastic wedge. [stress concentration in elastic half spaces

NASA Technical Reports Server (NTRS)

Erdogan, F.; Gupta, G. D.

1974-01-01

The contact and the crack problems for an elastic wedge of arbitrary angle are considered. The problem is reduced to a singular integral equation which, in the general case, may have a generalized Cauchy kernel. The singularities under the stamp as well as at the wedge apex were studied, and the relevant stress intensity factors are defined. The problem was solved for various wedge geometries and loading conditions. The results may be applicable to certain foundation problems and to crack problems in symmetrically loaded wedges in which cracks initiate from the apex.

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.

Six-week physical rehabilitation protocol for anterior shoulder dislocation in athletes

PubMed Central

Gaballah, Ahmed; Zeyada, Mohamed; Elgeidi, Adham; Bressel, Eadric

2017-01-01

Anterior shoulder dislocations are common in young athletes. The mechanism for the first or primary shoulder dislocation may involve a collision or a fall typically with the arm in an abducted and externally rotated position. The aim of this study was to design a physical rehabilitation program using the elastic band and resistive exercise to improve joint strength and range of motion in individuals diagnosed with a first-time shoulder dislocation. Twelve physically active males with a first-time acute shoulder dislocation were asked to volunteer. Participants began a physical rehabilitation program 2 weeks after the shoulder dislocation, which was confirmed by a referring physician. The rehabilitation program was 6 weeks in duration and required the participants to engage in progressive resistive loads/duration using elastic bands and weights 5 days per week. Pretest and posttest measures included shoulder strength and range of motion. All outcome measures were compared between the injured and uninjured shoulder, which served as the control condition in this study. There were statistically significant differences between the injured and uninjured shoulder for measures of strength and range of motion during pretests (P<0.01) but not post-tests (P<0.53). Finally, there were no differences between shoulders in regards to the volume measure suggesting that any changes in muscle atrophy or swelling were not detected. The physical rehabilitation program proposed in this study was effective at improving strength and range of motion in the injured shoulder as evidenced by the similarity in posttest values between the injured and uninjured shoulder. PMID:28702449

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

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

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

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

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

PubMed

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

2015-04-01

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

Penny-shaped interface crack between an elastic layer and a half space.

NASA Technical Reports Server (NTRS)

Erdogan, F.; Arin, K.

1972-01-01

The axially symmetric elastostatic problem for a layer bonded to a half space with different material properties is considered. It is assumed that the bi-material interface contains a penny-shaped crack the surfaces of which are subjected to known tractions. The solution of the problem is reduced to that of a system of singular integral equations of the second kind. A numerical example for an aluminum-epoxy material combination is given. The stress intensity factors and the strain energy release rate are calculated and are given as functions of layer thickness-to-crack radius ratio.

Relating Residual Stress and Substructural Evolution During Tensile Deformation of an Aluminum-Manganese Alloy

NASA Astrophysics Data System (ADS)

Lodh, Arijit; Tak, Tawqeer Nasir; Prakash, Aditya; Guruprasad, P. J.; Hutchinson, Christopher; Samajdar, Indradev

2017-11-01

Interrupted tensile tests were coupled with ex situ measurements of residual stress and microtexture. The residual stress quantification involved measurements of six independent Laue spots and conversion of the interplanar spacings to the residual stress tensor. A clear orientation-dependent residual stress evolution emerged from the experiments and the numerical simulations. For the orientations undergoing negligible changes in ρ GND (density of geometrically necessary dislocation), the residual stress developments appeared to be governed by the elastic stiffness of the grain clusters. For the others, the evolution of the residual stress and ρ GND exhibited a clear orientation-dependent scaling.

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

Molecular dynamics simulation on the elastoplastic properties of copper nanowire under torsion

NASA Astrophysics Data System (ADS)

Yang, Yong; Li, Ying; Yang, Zailin; Zhang, Guowei; Wang, Xizhi; Liu, Jin

2018-02-01

Influences of different factors on the torsion properties of single crystal copper nanowire are studied by molecular dynamics method. The length, torsional rate, and temperature of the nanowire are discussed at the elastic-plastic critical point. According to the average potential energy curve and shear stress curve, the elastic-plastic critical angle is determined. Also, the dislocation at elastoplastic critical points is analyzed. The simulation results show that the single crystal copper nanowire can be strengthened by lengthening the model, decreasing the torsional rate, and lowering the temperature. Moreover, atoms move violently and dislocation is more likely to occur with a higher temperature. This work mainly describes the mechanical behavior of the model under different states.

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.

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.

Dynamic Processes in Nanostructured Crystals Under Ion Irradiation

NASA Astrophysics Data System (ADS)

Uglov, V. V.; Kvasov, N. T.; Shimanski, V. I.; Safronov, I. V.; Komarov, N. D.

2018-02-01

The paper presents detailed investigations of dynamic processes occurring in nanostructured Si(Fe) material under the radiation exposure, namely: heating, thermoelastic stress generation, elastic disturbances of the surrounding medium similar to weak shock waves, and dislocation generation. The performance calculations are proposed for elastic properties of the nanostructured material with a glance to size effects in nanoparticles.

Adhesive contact of a rigid circular cylinder to a soft elastic substrate--the role of surface tension.

PubMed

Liu, Tianshu; Jagota, Anand; Hui, Chung-Yuen

2015-05-21

This article studies the effects of surface tension on the adhesive contact mechanics of a long rigid cylinder on an infinite half space comprising an incompressible elastic material. We present an exact solution based on small strain theory. The relationship between the indentation force and contact width was found to depend on a single dimensionless parameter ω = σ/[4(μR)(2/3)(W(ad)/2π)(1/3'), where R is the cylinder radius, Wad is the interfacial work of adhesion, and σ and μ are the surface tension and shear modulus of the half space, respectively. For small ω the solution reduces to the classical Johnson-Kendall-Roberts (JKR) theory, whereas for large ω the solution reduces to the small slope version of the Young-Dupre equation. The pull-off phenomenon was carefully examined and it was found that the contact width at pull-off reduces to zero when surface tension is larger than a critical value.

Deformation of a flexible disk bonded to an elastic half space-application to the lung.

PubMed

Lai-Fook, S J; Hajji, M A; Wilson, T A

1980-08-01

An analysis is presented of the deformation of a homogeneous, isotropic, elastic half space subjected to a constant radial strain in a circular area on the boundary. Explicit analytic expressions for the normal and radial displacements and the shear stress on the boundary are used to interpret experiments performed on inflated pig lungs. The boundary strain was induced by inflating or deflating the lung after bonding a flexible disk to the lung surface. The prediction that the surface bulges outward for positive boundary strain and inward for negative strain was observed in the experiments. Poisson's ratio at two transpulmonary pressures was measured, by use of the normal displacement equation evaluated at the surface. A direct estimate of Poisson's ratio was possible because the normal displacement of the surface depended uniquely on the compressibility of the material. Qualitative comparisons between theory and experiment support the use of continuum analyses in evaluating the behavior of the lung parenchyma when subjected to small local distortions.

Impedance of strip-traveling waves on an elastic half space - Asymptotic solution

NASA Technical Reports Server (NTRS)

Crandall, S. H.; Nigam, A. K.

1973-01-01

The dynamic normal-load distribution across a strip that is required to maintain a plane progressive wave along its length is studied for the case where the strip is of infinite length and lies on the surface of a homogeneous isotropic elastic half space. This configuration is proposed as a preliminary idealized model for analyzing the dynamic interaction between soils and flexible foundations. The surface load distribution across the strip and the motion of the strip are related by a pair of dual integral equations. An asymptotic solution is obtained for the limiting case of small wavelength. The nature of this solution depends importantly on the propagation velocity of the strip-traveling wave in comparison with the Rayleigh wave speed, the shear wave speed and the dilatational wave speed. When the strip-traveling wave propagates faster than the Rayleigh wave speed, a pattern of trailing Rayleigh waves is shed from the strip. The limiting amplitude of the trailing waves is provided by the asymptotic solution.

Wave energy transfer in elastic half-spaces with soft interlayers.

PubMed

Glushkov, Evgeny; Glushkova, Natalia; Fomenko, Sergey

2015-04-01

The paper deals with guided waves generated by a surface load in a coated elastic half-space. The analysis is based on the explicit integral and asymptotic expressions derived in terms of Green's matrix and given loads for both laminate and functionally graded substrates. To perform the energy analysis, explicit expressions for the time-averaged amount of energy transferred in the time-harmonic wave field by every excited guided or body wave through horizontal planes and lateral cylindrical surfaces have been also derived. The study is focused on the peculiarities of wave energy transmission in substrates with soft interlayers that serve as internal channels for the excited guided waves. The notable features of the source energy partitioning in such media are the domination of a single emerging mode in each consecutive frequency subrange and the appearance of reverse energy fluxes at certain frequencies. These effects as well as modal and spatial distribution of the wave energy coming from the source into the substructure are numerically analyzed and discussed.

A dislocation density based micromechanical constitutive model for Sn-Ag-Cu solder alloys

NASA Astrophysics Data System (ADS)

Liu, Lu; Yao, Yao; Zeng, Tao; Keer, Leon M.

2017-10-01

Based on the dislocation density hardening law, a micromechanical model considering the effects of precipitates is developed for Sn-Ag-Cu solder alloys. According to the microstructure of the Sn-3.0Ag-0.5Cu thin films, intermetallic compounds (IMCs) are assumed as sphere particles embedded in the polycrystalline β-Sn matrix. The mechanical behavior of polycrystalline β-Sn matrix is determined by the elastic-plastic self-consistent method. The existence of IMCs not only impedes the motion of dislocations but also increases the overall stiffness. Thus, a dislocation density based hardening law considering non-shearable precipitates is adopted locally for single β-Sn crystal, and the Mori-Tanaka scheme is applied to describe the overall viscoplastic behavior of solder alloys. The proposed model is incorporated into finite element analysis and the corresponding numerical implementation method is presented. The model can describe the mechanical behavior of Sn-3.0Ag-0.5Cu and Sn-1.0Ag-0.5Cu alloys under high strain rates at a wide range of temperatures. Furthermore, the overall Young’s modulus changes due to different contents of IMCs is predicted and compared with experimental data. Results show that the proposed model can describe both elastic and inelastic behavior of solder alloys with reasonable accuracy.

Liquid-assisted tunable metasurface for simultaneous manipulation of surface elastic and acoustic waves

NASA Astrophysics Data System (ADS)

Yuan, Si-Min; Ma, Tian-Xue; Chen, A.-Li; Wang, Yue-Sheng

2018-03-01

A tunable and multi-functional one-dimensional metasurface, which is formed by engraving periodic semi-ellipse grooves on the surface of an aluminum half-space, is proposed in this paper. One characteristic of the metasurface is the manipulation of multi-physical fields, i.e. it could be utilized to manipulate surface elastic and acoustic waves simultaneously. The dispersion curves of the elastic and acoustic waves can be effectively tuned by adding liquids into the grooves. Based on the tunability different applications can be realized by adding different volumes of different liquids into the grooves. As an example, simultaneous rainbow trapping of the surface elastic and acoustic waves is demonstrated in the metasurface. Moreover, a resonant cavity where the elastic and acoustic waves are highly confined is reported. The proposed metasurface paves the way to the design of multi-functional devices for simultaneous control of elastic and acoustic waves.

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

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

Martensite Embryology

NASA Astrophysics Data System (ADS)

Reid, Andrew C. E.; Olson, Gregory B.

2000-03-01

Heterogeneous nucleation of martensite is modeled by examining the strain field of a dislocation array in a nonlinear, nonlocal continuum elastic matrix. The dislocations are modeled by including effects from atomic length scales, which control the dislocation Burger's vector, into a mesoscopic continuum model. The dislocation array models the heterogeneous nucleation source of the Olson/Cohen defect dissociation model, and depending on the potency can give rise to embryos of different character. High potency dislocations give rise to fully developed, classical pre-existing embryos, whereas low-potency dislocations result in the formation of highly nonclassical strain embryos. Heterogeneous nucleation theory is related to nucleation kinetics through the critical driving force for nucleation at a defect of a given potency. Recent stereological and calorimetric kinetic studies in thermoelastic TiNi alloys confirm that these materials exhibit the same form of defect potency distribution and resulting sample-size dependent Martensite start temperature, M_s, as nonthermoelastic FeNi systems. These results together point towards a broad theory of heterogeneous nucleation for both thermoelastic and nonthermoelastic martensites.

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

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.

Modeling of plasticity and fracture of metals at shock loading

NASA Astrophysics Data System (ADS)

Mayer, A. E.; Khishchenko, K. V.; Levashov, P. R.; Mayer, P. N.

2013-05-01

In this paper, we present a model of dislocation plasticity and fracture of metals, which in combination with the wide-range equation of state and the continuum mechanics equations is a necessary component for simulation of the shock-wave loading. We take into account immobilization of dislocations and nucleation of micro-voids in weakened zones of substance; this is distinguished feature of the present version of the model. Accounting of the dislocations immobilization provides a better description of the unloading wave structure, while the detailed consideration of processes in the weakened zones expands the domain of applicability of fracture model to higher strain rates. We compare our results with the experimental data for the shock loading of aluminum, copper, and nickel samples; the comparison indicates satisfactory description of the elastic precursor, unloading wave, and spall pulse. Using the model, we investigate intently the early stage of the shock formation in solids; it is found out that the elastic precursor is formed even for a strong shock wave, and initially the precursor has very large amplitude and propagation velocity.

Atomic study of effects of crystal structure and temperature on structural evolution of Au nanowires under torsion

NASA Astrophysics Data System (ADS)

Wu, Cheng-Da; Tsai, Hsing-Wei

2018-06-01

The effect of temperature on the structural evolution of nanocrystalline (NC) and single-crystalline (SC) Au nanowires (NWs) under torsional deformation is studied using molecular dynamics simulations based on the many-body embedded-atom potential. The effect is investigated using common neighbor analysis and discussed in terms of shear strain distribution and atomic flow field. The simulation results show that deformation for NC NWs is mainly driven by the nucleation and propagation of dislocations and the gliding of grain boundaries (GBs) and that for SC NWs is mainly driven by dislocations and the formation of disordered structures. Dislocations for NC and SC NWs easily nucleate at GBs and free surfaces, respectively. For NC NWs, torsional buckling occurs easily at GBs with large gliding. SC NWs have a more uniform and larger elastic deformation under torsion compared to that for NC NWs due to the former's lack of grains. SC NWs have a long period of elastic deformation transforming into plastic deformation. Increasing temperature facilitates stress transmission throughout NWs.

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.

Shock-induced Plasticity and Brittle Cracks in Aluminum Nitride

NASA Astrophysics Data System (ADS)

Branicio, Paulo; Kalia, Rajiv

2005-03-01

Two hundred and nine million atom molecular-dynamics simulation of hypervelocity projectile impact in aluminum nitride reveals strong interplay between shock-induced structural phase transformation, plastic deformation and brittle cracks. The shock wave splits into an elastic precursor and a wurtzite-to-rocksalt structural transformation wave. When the elastic wave reflected from the boundary of the sample interacts with the transformation wave front, nanocavities are generated along the penetration path of the projectile and dislocations in adjacent regions. The nanocavities coalesce to form mode I brittle cracks while dislocations generate kink bands that give rise to mode II cracks. These simulations provide a microscopic view of defects associated with simultaneous tensile and shear cracking at the structural phase transformation boundary due to shock impact in high-strength ceramics.

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.

Tailoring Superconductivity with Quantum Dislocations.

PubMed

Li, Mingda; Song, Qichen; Liu, Te-Huan; Meroueh, Laureen; Mahan, Gerald D; Dresselhaus, Mildred S; Chen, Gang

2017-08-09

Despite the established knowledge that crystal dislocations can affect a material's superconducting properties, the exact mechanism of the electron-dislocation interaction in a dislocated superconductor has long been missing. Being a type of defect, dislocations are expected to decrease a material's superconducting transition temperature (T c ) by breaking the coherence. Yet experimentally, even in isotropic type I superconductors, dislocations can either decrease, increase, or have little influence on T c . These experimental findings have yet to be understood. Although the anisotropic pairing in dirty superconductors has explained impurity-induced T c reduction, no quantitative agreement has been reached in the case a dislocation given its complexity. In this study, by generalizing the one-dimensional quantized dislocation field to three dimensions, we reveal that there are indeed two distinct types of electron-dislocation interactions. Besides the usual electron-dislocation potential scattering, there is another interaction driving an effective attraction between electrons that is caused by dislons, which are quantized modes of a dislocation. The role of dislocations to superconductivity is thus clarified as the competition between the classical and quantum effects, showing excellent agreement with existing experimental data. In particular, the existence of both classical and quantum effects provides a plausible explanation for the illusive origin of dislocation-induced superconductivity in semiconducting PbS/PbTe superlattice nanostructures. A quantitative criterion has been derived, in which a dislocated superconductor with low elastic moduli and small electron effective mass and in a confined environment is inclined to enhance T c . This provides a new pathway for engineering a material's superconducting properties by using dislocations as an additional degree of freedom.

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.

Elastic Solutions in a Semi-Infinite Solid with an Ellipsoidal Inclusion

DTIC Science & Technology

1990-01-25

the free surface has been solved for a spherical inclusion with pure dilatational eigenstrain ( stress free transformation strain ) ( Mindlin and Cheng...1950B ), an ellipsoidal inclusion with pure dilatational eigenstrains ( Seo and Mura, 1979 ) and a cuboidal inclusion with uniform eigenstrains ...solution of a half-space under normal surface traction on the full space solution due to a cuboidal inclusion and its image with the uniform eigenstrains

A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

NASA Astrophysics Data System (ADS)

Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J.; Ramos, K. J.

2017-01-01

We have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation drag limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation-dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.

The 1954 Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes: A triggered normal faulting sequence

NASA Astrophysics Data System (ADS)

Hodgkinson, Kathleen M.; Stein, Ross S.; King, Geoffrey C. P.

1996-11-01

In 1954, four earthquakes of M > 6.0 occurred within a 30 km radius in a period of six months. The Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes are among the largest to have been recorded geodetically in the Basin and Range province. The Fairview Peak earthquake (M = 7.2, December 12, 1954) followed two events in the Rainbow Mountains (M = 6.2, July 6, and M = 6.5, August 24, 1954) by 6 months. Four minutes later the Dixie Valley fault ruptured (M = 6.7, December 12, 1954). The changes in static stresses caused by the events are calculated using the Coulomb-Navier failure criterion and assuming uniform slip on rectangular dislocations embedded in an elastic half-space. Coulomb stress changes are resolved on optimally oriented faults and on each of the faults that ruptured in the chain of events. These calculations show that each earthquake in the Rainbow Mountain-Fairview Peak-Dixie Valley sequence was preceded by a static stress change that encouraged failure. The magnitude of the stress increases transferred from one earthquake to another ranged from 0.01 MPa (0.1 bar) to over 0.1 MPa (1 bar). Stresses were reduced by up to 0.1 MPa over most of the Rainbow Mountain-Fairview Peak area as a result of the earthquake sequence.

The 1954 Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes: A triggered normal faulting sequence

USGS Publications Warehouse

Hodgkinson, K.M.; Stein, R.S.; King, G.C.P.

1996-01-01

In 1954, four earthquakes of M > 6.0 occurred within a 30 km radius in a period of six months. The Rainbow Mountain-Fairview Peak-Dixie Valley earthquakes are among the largest to have been recorded geodetically in the Basin and Range province. The Fairview Peak earthquake (M=7.2, December 12, 1954) followed two events in the Rainbow Mountains (M=6.2, July 6, and M=6.5, August 24, 1954) by 6 months. Four minutes later the Dixie Valley fault ruptured (M=6.7, December 12, 1954). The changes in static stresses caused by the events are calculated using the Coulomb-Navier failure criterion and assuming uniform slip on rectangular dislocations embedded in an elastic half-space. Coulomb stress changes are resolved on optimally oriented faults and on each of the faults that ruptured in the chain of events. These calculations show that each earthquake in the Rainbow Mountain-Fairview Peak-Dixie Valley sequence was preceded by a static stress change that encouraged failure. The magnitude of the stress increases transferred from one earthquake to another ranged from 0.01 MPa (0.1 bar) to over 0.1 MPa (1 bar). Stresses were reduced by up to 0.1 MPa over most of the Rainbow Mountain-Fairview Peak area as a result of the earthquake sequence. Copyright 1996 by the American Geophysical Union.

The high temperature impact response of tungsten and chromium

NASA Astrophysics Data System (ADS)

Zaretsky, E. B.; Kanel, G. I.

2017-09-01

The evolution of elastic-plastic shock waves has been studied in pure polycrystalline tungsten and chromium at room and elevated temperatures over propagation distances ranging from 0.05 to 3 mm (tungsten) and from 0.1 to 2 mm (chromium). The use of fused silica windows in all but one experiment with chromium and in several high temperature experiments with tungsten led to the need for performing shock and optic characterization of these windows over the 300-1200 K temperature interval. Experiments with tungsten and chromium samples showed that annealing of the metals transforms the initial ramping elastic wave into a jump-like wave, substantially increasing the Hugoniot elastic limits of the metals. With increased annealing time, the spall strength of the two metals slightly increases. Both at room and at high temperatures, the elastic precursor in the two metals decays in two distinct regimes. At propagation distances smaller than ˜1 mm (tungsten) or ˜0.5 mm (chromium), decay is fast, with the dislocation motion and multiplication being controlled by phonon viscous drag. At greater distances, the rate of decay becomes much lower, with control of the plastic deformation being passed to the thermally activated generation and motion of dislocation double-kinks. The stress at which this transition takes place virtually coincides with the Peierls stress τP of the active glide system. Analysis of the annealing effects in both presently and previously studied BCC metals (i.e., Ta, V, Nb, Mo, W, and Cr) and of the dependencies of their normalized Peierls stresses τP(θ) /τP(0 ) on the normalized temperature θ=T /Tm allows one to conclude that the non-planar, split into several glide planes, structure of the dislocation core in these metals is mainly responsible for their plastic deformation features.

Dislocation loop models for the high temperature creep of Al-5.5 at.% Mg alloy

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

An, S.U.; Blum, W.

1995-04-15

The Al-5.5 at.% Mg alloy is a typical class I type solution hardened material. The dislocation loop models proposed by Orlova and Cadek and by Mills et al., respectively are widely applied models in describing the high temperature creep behavior of the Al-5.5 at.% Mg alloy. These models, however, are in conflict in explaining dislocation loop theory. Orlova and Cadek suggest that in class I solution hardened alloys screw dislocations are relatively easier to migrate because they are subject to a smaller resistance in motion than edge dislocations. Consequently, the migration rate of screw dislocations is higher than that ofmore » edge dislocations. However, since dislocation loops are composed of both screw and edge components, the overall migration rate of screw dislocations are reduced by that of the edge component. Mills et al. on the contrary, used a different dislocation loop model. As the loop grows while it moves, it takes on the shape of an ellipsoid due to the unbalance in growth rate, the score segment moving much easier than the edge. Therefore, as shown in the results of the stress reduction tests, rapid elastic ({Delta} {var_epsilon}{sub el}) and anelastic contraction ({Delta} {var_epsilon}{sub an}) occur simultaneously directly after stress reduction. During the movement of the dislocation loop, the screw component hence becomes severely curved, while the edge component retains a straight line. This has been proved through dislocation structure observations by TEM.« less

Elastic fields, dipole tensors, and interaction between self-interstitial atom defects in bcc transition metals

NASA Astrophysics Data System (ADS)

Dudarev, S. L.; Ma, Pui-Wai

2018-03-01

Density functional theory (DFT) calculations show that self-interstitial atom (SIA) defects in nonmagnetic body-centered-cubic (bcc) metals adopt strongly anisotropic configurations, elongated in the <111 > direction [S. Han et al., Phys. Rev. B 66, 220101 (2002), 10.1103/PhysRevB.66.220101; D. Nguyen-Manh et al., Phys. Rev. B 73, 020101 (2006), 10.1103/PhysRevB.73.020101; P. M. Derlet et al., Phys. Rev. B 76, 054107 (2007), 10.1103/PhysRevB.76.054107; S. L. Dudarev, Annu. Rev. Mater. Res. 43, 35 (2013), 10.1146/annurev-matsci-071312-121626]. Elastic distortions, associated with such anisotropic atomic structures, appear similar to distortions around small prismatic dislocation loops, although the extent of this similarity has never been quantified. We derive analytical formulas for the dipole tensors of SIA defects, which show that, in addition to the prismatic dislocation looplike character, the elastic field of a SIA defect also has a significant isotropic dilatation component. Using empirical potentials and DFT calculations, we parametrize dipole tensors of <111 > defects for all the nonmagnetic bcc transition metals. This enables a quantitative evaluation of the energy of elastic interaction between the defects, which also shows that in a periodic three-dimensional simple cubic arrangement of crowdions, long-range elastic interactions between a defect and all its images favor a <111 > orientation of the defect.

Fundamental Studies of Strengthening Mechanisms in Metals Using Dislocation Dynamics

DTIC Science & Technology

2006-03-26

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

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.

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

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun

An application of high-energy wide angle synchrotron X-ray diffraction to investigate the tensile deformation of 9Cr ferritic/martensitic (F/M) ODS steel is presented. With tensile loading and in-situ Xray exposure, the lattice strain development of matrix was determined. The lattice strain was found to decrease with increasing temperature, and the difference in Young's modulus of six different reflections at different temperatures reveals the temperature dependence of elastic anisotropy. The mean internal stress was calculated and compared with the applied stress, showing that the strengthening factor increased with increasing temperature, indicating that the oxide nanoparticles have a good strengthening impact at highmore » temperature. The dislocation density and character were also measured during tensile deformation. The dislocation density decreased with increasing of temperature due to the greater mobility of dislocation at high temperature. The dislocation character was determined by best-fit methods for different dislocation average contrasts with various levels of uncertainty. The results shows edge type dislocations dominate the plastic strain at room temperature (RT) and 300 C, while the screw type dislocations dominate at 600 C. The dominance of edge character in 9Cr F/M ODS steels at RT and 300 C is likely due to the pinning effect of nanoparticles for higher mobile edge dislocations when compared with screw dislocations, while the stronger screw type of dislocation structure at 600 C may be explained by the activated cross slip of screw segments.« less

Alternating method applied to edge and surface crack problems

NASA Technical Reports Server (NTRS)

Hartranft, R. J.; Sih, G. C.

1972-01-01

The Schwarz-Neumann alternating method is employed to obtain stress intensity solutions to two crack problems of practical importance: a semi-infinite elastic plate containing an edge crack which is subjected to concentrated normal and tangential forces, and an elastic half space containing a semicircular surface crack which is subjected to uniform opening pressure. The solution to the semicircular surface crack is seen to be a significant improvement over existing approximate solutions. Application of the alternating method to other crack problems of current interest is briefly discussed.

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

DOE PAGES

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

2015-10-08

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

Necessity of using heterogeneous ellipsoidal Earth model with terrain to calculate co-seismic effect

NASA Astrophysics Data System (ADS)

Cheng, Huihong; Zhang, Bei; Zhang, Huai; Huang, Luyuan; Qu, Wulin; Shi, Yaolin

2016-04-01

Co-seismic deformation and stress changes, which reflect the elasticity of the earth, are very important in the earthquake dynamics, and also to other issues, such as the evaluation of the seismic risk, fracture process and triggering of earthquake. Lots of scholars have researched the dislocation theory and co-seismic deformation and obtained the half-space homogeneous model, half-space stratified model, spherical stratified model, and so on. Especially, models of Okada (1992) and Wang (2003, 2006) are widely applied in the research of calculating co-seismic and post-seismic effects. However, since both semi-infinite space model and layered model do not take the role of the earth curvature or heterogeneity or topography into consideration, there are large errors in calculating the co-seismic displacement of a great earthquake in its impacted area. Meanwhile, the computational methods of calculating the co-seismic strain and stress are different between spherical model and plane model. Here, we adopted the finite element method which could well deal with the complex characteristics (such as anisotropy, discontinuities) of rock and different conditions. We use the mash adaptive technique to automatically encrypt the mesh at the fault and adopt the equivalent volume force replace the dislocation source, which can avoid the difficulty in handling discontinuity surface with conventional (Zhang et al., 2015). We constructed an earth model that included earth's layered structure and curvature, the upper boundary was set as a free surface and the core-mantle boundary was set under buoyancy forces. Firstly, based on the precision requirement, we take a testing model - - a strike-slip fault (the length of fault is 500km and the width is 50km, and the slippage is 10m) for example. Because of the curvature of the Earth, some errors certainly occur in plane coordinates just as previous studies (Dong et al., 2014; Sun et al., 2012). However, we also found that: 1) the co-seismic displacement and strain are no longer symmetric with different latitudes in plane model while always theoretically symmetrical in spherical model. 2) The errors of co-seismic strain will be increased when using corresponding formulas in plane coordinate. When we set the strike-slip fault along the equator, the maximum relative error can reach to several tens of thousand times in high latitude while 30 times near the fault. 3) The style of strain changes are eight petals while the errors are four petals, and apparent distortion at high latitudes. Furthermore, the influence of the earth's ellipticity and heterogeneity and terrain were calculated respectively. Especially the effect of terrain, which induced huge differences, should not be overlooked during the co-seismic calculations. Finally, taking all those affecting factors into account, we calculated the co-seismic effect of the 2008 Wenchuan earthquake and its adjacent area and faults using the heterogeneous ellipsoidal Earth model with terrain.

Quantitative analysis of dislocation arrangements induced by electromigration in a passivated Al (0.5 wt % Cu) interconnect

NASA Astrophysics Data System (ADS)

Barabash, R. I.; Ice, G. E.; Tamura, N.; Valek, B. C.; Bravman, J. C.; Spolenak, R.; Patel, J. R.

2003-05-01

Electromigration during accelerated testing can induce plastic deformation in apparently undamaged Al interconnect lines as recently revealed by white beam scanning x-ray microdiffraction. In the present article, we provide a first quantitative analysis of the dislocation structure generated in individual micron-sized Al grains during an in situ electromigration experiment. Laue reflections from individual interconnect grains show pronounced streaking during the early stages of electromigration. We demonstrate that the evolution of the dislocation structure during electromigration is highly inhomogeneous and results in the formation of unpaired randomly distributed dislocations as well as geometrically necessary dislocation boundaries. Approximately half of all unpaired dislocations are grouped within the walls. The misorientation created by each boundary and density of unpaired individual dislocations is determined. The origin of the observed plastic deformation is considered in view of the constraints for dislocation arrangements under the applied electric field during electromigration.

Statistical description of tectonic motions

NASA Technical Reports Server (NTRS)

Agnew, Duncan Carr

1991-01-01

The behavior of stochastic processes was studied whose power spectra are described by power-law behavior. The details of the analysis and the conclusions that were reached are presented. This analysis was extended to compare detection capabilities of different measurement techniques (e.g., gravimetry and GPS for the vertical, and seismometers and GPS for horizontal), both in general and for the specific case of the deformations produced by a dislocation in a half-space (which applies to seismic of preseismic sources). The time-domain behavior of power-law noises is also investigated.

First Principles Model of Electric Cable Braid Penetration with Dielectrics

DOE PAGES

Campione, Salvatore; Warne, Larry Kevin; Langston, William L.; ...

2018-01-01

In this study, we report the formulation to account for dielectrics in a first principles multipole-based cable braid electromagnetic penetration model. To validate our first principles model, we consider a one-dimensional array of wires, which can be modeled analytically with a multipole-conformal mapping expansion for the wire charges; however, the first principles model can be readily applied to realistic cable geometries. We compare the elastance (i.e. the inverse of the capacitance) results from the first principles cable braid electromagnetic penetration model to those obtained using the analytical model. The results are found in good agreement up to a radius tomore » half spacing ratio of 0.5-0.6, depending on the permittivity of the dielectric used, within the characteristics of many commercial cables. We observe that for typical relative permittivities encountered in braided cables, the transfer elastance values are essentially the same as those of free space; the self-elastance values are also approximated by the free space solution as long as the dielectric discontinuity is taken into account for the planar mode.« less

First Principles Model of Electric Cable Braid Penetration with Dielectrics

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

Campione, Salvatore; Warne, Larry Kevin; Langston, William L.

In this study, we report the formulation to account for dielectrics in a first principles multipole-based cable braid electromagnetic penetration model. To validate our first principles model, we consider a one-dimensional array of wires, which can be modeled analytically with a multipole-conformal mapping expansion for the wire charges; however, the first principles model can be readily applied to realistic cable geometries. We compare the elastance (i.e. the inverse of the capacitance) results from the first principles cable braid electromagnetic penetration model to those obtained using the analytical model. The results are found in good agreement up to a radius tomore » half spacing ratio of 0.5-0.6, depending on the permittivity of the dielectric used, within the characteristics of many commercial cables. We observe that for typical relative permittivities encountered in braided cables, the transfer elastance values are essentially the same as those of free space; the self-elastance values are also approximated by the free space solution as long as the dielectric discontinuity is taken into account for the planar mode.« less

Defect-induced change of temperature-dependent elastic constants in BCC iron

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

Gao, N.; Setyawan, W.; Zhang, S. H.

2017-07-01

The effects of radiation-induced defects (randomly distributed vacancies, voids, and interstitial dislocation loops) on temperature-dependent elastic constants, C11, C12, and C44 in BCC iron, are studied with molecular dynamics method. The elastic constants are found to decrease with increasing temperatures for all cases containing different defects. The presence of vacancies, voids, or interstitial loops further decreases the elastic constants. For a given number of point defects, the randomly distributed vacancies show the strongest effect compared to voids or interstitial loops. All these results are expected to provide useful information to combine with experimental results for further understanding of radiation damage.

Contact interaction of thin-walled elements with an elastic layer and an infinite circular cylinder under torsion

NASA Astrophysics Data System (ADS)

Kanetsyan, E. G.; Mkrtchyan, M. S.; Mkhitaryan, S. M.

2018-04-01

We consider a class of contact torsion problems on interaction of thin-walled elements shaped as an elastic thin washer – a flat circular plate of small height – with an elastic layer, in particular, with a half-space, and on interaction of thin cylindrical shells with a solid elastic cylinder, infinite in both directions. The governing equations of the physical models of elastic thin washers and thin circular cylindrical shells under torsion are derived from the exact equations of mathematical theory of elasticity using the Hankel and Fourier transforms. Within the framework of the accepted physical models, the solution of the contact problem between an elastic washer and an elastic layer is reduced to solving the Fredholm integral equation of the first kind with a kernel representable as a sum of the Weber–Sonin integral and some integral regular kernel, while solving the contact problem between a cylindrical shell and solid cylinder is reduced to a singular integral equation (SIE). An effective method for solving the governing integral equations of these problems are specified.

Influence of Na and Ga on the electrical properties of perfect 60° dislocations in Cu(In, Ga)Se2 thin-film photovoltaic absorbers

NASA Astrophysics Data System (ADS)

Barragan-Yani, D.; Albe, K.

2018-04-01

The segregation of GaIn and NaCu to perfect 60° dislocations in CuIn1-xGaxSe2 is investigated by means of density functional theory calculations. We find that the segregation process is mainly driven by the elastic interaction of both defect types with the strain field of the dislocation. GaIn moves into the negatively strained region, while NaCu is found in the positively strained region. We show that both defects affect the electronic defect levels induced by the dislocation core and GaIn is able to passivate the β-core in CuInSe2. This result indicates that β-cores are inactive in CuIn1-xGaxSe2. NaCu; however, they do not have a significant effect on the electrical properties of the studied dislocation cores. Therefore, the experimentally observed sodium segregation to dislocation cores in CuIn1-xGaxSe2 cannot be considered as the passivation mechanism of the electrically active cores in that material.

Strengthening and toughening metallic glasses: The elastic perspectives and opportunities

NASA Astrophysics Data System (ADS)

Liu, Z. Q.; Zhang, Z. F.

2014-04-01

There exist general conflicts between strength and toughness in crystalline engineering materials, and various strengthening and toughening strategies have been developed from the dislocation motion perspectives. Metallic glasses (MGs) have demonstrated great potentials owing to their unique properties; however, their structural applications are strictly limited. One of the key problems is that the traditional strengthening and toughening strategies and mechanisms are not applicable in MGs due to the absence of dislocations and crystalline microstructures. Here, we show that the strength and toughness, or equivalently the shear modulus and Poisson's ratio, are invariably mutually exclusive in MGs. Accordingly, the MGs can be categorized into four groups with different levels of integrated mechanical properties. It is further revealed that the conflicts originate fundamentally from the atomic bonding structures and the levels of strength-toughness combinations are indeed dominated by the bulk modulus. Moreover, we propose novel strategies for optimizing the mechanical properties of MGs from the elastic perspectives. We emphasize the significance of developing high bulk modulus MGs to achieve simultaneously both high strength and good toughness and highlight the elastic opportunities for strengthening and toughening materials.

Temporal variations in magnetic signals generated by the piezomagnetic effect for dislocation sources in a uniform medium

NASA Astrophysics Data System (ADS)

Yamazaki, Ken'ichi

2016-07-01

Fault ruptures in the Earth's crust generate both elastic and electromagnetic (EM) waves. If the corresponding EM signals can be observed, then earthquakes could be detected before the first seismic waves arrive. In this study, I consider the piezomagnetic effect as a mechanism that converts elastic waves to EM energy, and I derive analytical formulas for the conversion process. The situation considered in this study is a whole-space model, in which elastic and EM properties are uniform and isotropic. In this situation, the governing equations of the elastic and EM fields, combined with the piezomagnetic constitutive law, can be solved analytically in the time domain by ignoring the displacement current term. Using the derived formulas, numerical examples are investigated, and the corresponding characteristics of the expected magnetic signals are resolved. I show that temporal variations in the magnetic field depend strongly on the electrical conductivity of the medium, meaning that precise detection of signals generated by the piezomagnetic effect is generally difficult. Expected amplitudes of piezomagnetic signals are estimated to be no larger than 0.3 nT for earthquakes with a moment magnitude of ≥7.0 at a source distance of 25 km; however, this conclusion may not extend to the detection of real earthquakes, because piezomagnetic stress sensitivity is currently poorly constrained.

Out-of-plane (SH) soil-structure interaction: a shear wall with rigid and flexible ring foundation

NASA Astrophysics Data System (ADS)

Le, Thang; Lee, Vincent W.; Luo, Hao

2016-02-01

Soil-structure interaction (SSI) of a building and shear wall above a foundation in an elastic half-space has long been an important research subject for earthquake engineers and strong-motion seismologists. Numerous papers have been published since the early 1970s; however, very few of these papers have analytic closed-form solutions available. The soil-structure interaction problem is one of the most classic problems connecting the two disciplines of earthquake engineering and civil engineering. The interaction effect represents the mechanism of energy transfer and dissipation among the elements of the dynamic system, namely the soil subgrade, foundation, and superstructure. This interaction effect is important across many structure, foundation, and subgrade types but is most pronounced when a rigid superstructure is founded on a relatively soft lower foundation and subgrade. This effect may only be ignored when the subgrade is much harder than a flexible superstructure: for instance a flexible moment frame superstructure founded on a thin compacted soil layer on top of very stiff bedrock below. This paper will study the interaction effect of the subgrade and the superstructure. The analytical solution of the interaction of a shear wall, flexible-rigid foundation, and an elastic half-space is derived for incident SH waves with various angles of incidence. It found that the flexible ring (soft layer) cannot be used as an isolation mechanism to decouple a superstructure from its substructure resting on a shaking half-space.

Reflection and Transmission of P-Waves in an Intermediate Layer Lying Between Two Semi-infinite Media

NASA Astrophysics Data System (ADS)

Singh, Pooja; Chattopadhyay, Amares; Srivastava, Akanksha; Singh, Abhishek Kumar

2018-05-01

With a motivation to gain physical insight of reflection as well as transmission phenomena in frozen (river/ocean) situation for example in Antarctica and other coldest place on Earth, the present article undertakes the analysis of reflection and transmission of a plane wave at the interfaces of layered structured comprised of a water layer of finite thickness sandwiched between an upper half-space constituted of ice and a lower isotropic elastic half-space, which may be useful in geophysical exploration in such conditions. A closed form expression of reflection/transmission coefficients of reflected and transmitted waves has been derived in terms of angles of incidence, propagation vector, displacement vector and elastic constants of the media. Expressions corresponding to the energy partition of various reflected and transmitted waves have also been established analytically. It has been remarkably shown that the law of conservation of energy holds good in the entire reflection and transmission phenomena for different angles of incidence. A numerical examples were performed so to graphically portray the analytical findings. Further the deduced results are validated with the pre-established classical results.

Green’s functions for a volume source in an elastic half-space

PubMed Central

Zabolotskaya, Evgenia A.; Ilinskii, Yurii A.; Hay, Todd A.; Hamilton, Mark F.

2012-01-01

Green’s functions are derived for elastic waves generated by a volume source in a homogeneous isotropic half-space. The context is sources at shallow burial depths, for which surface (Rayleigh) and bulk waves, both longitudinal and transverse, can be generated with comparable magnitudes. Two approaches are followed. First, the Green’s function is expanded with respect to eigenmodes that correspond to Rayleigh waves. While bulk waves are thus ignored, this approximation is valid on the surface far from the source, where the Rayleigh wave modes dominate. The second approach employs an angular spectrum that accounts for the bulk waves and yields a solution that may be separated into two terms. One is associated with bulk waves, the other with Rayleigh waves. The latter is proved to be identical to the Green’s function obtained following the first approach. The Green’s function obtained via angular spectrum decomposition is analyzed numerically in the time domain for different burial depths and distances to the receiver, and for parameters relevant to seismo-acoustic detection of land mines and other buried objects. PMID:22423682

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

NASA Technical Reports Server (NTRS)

Nicolaescu, I. I.

1974-01-01

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

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.

Modeling elasticity in crystal growth.

PubMed

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

2002-06-17

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

Earthquake-origin expansion of the Earth inferred from a spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Sun, Wenke

2014-12-01

In this paper, we propose an approach to compute the coseismic Earth's volume change based on a spherical-Earth elastic dislocation theory. We present a general expression of the Earth's volume change for three typical dislocations: the shear, tensile and explosion sources. We conduct a case study for the 2004 Sumatra earthquake (Mw9.3), the 2010 Chile earthquake (Mw8.8), the 2011 Tohoku-Oki earthquake (Mw9.0) and the 2013 Okhotsk Sea earthquake (Mw8.3). The results show that mega-thrust earthquakes make the Earth expand and earthquakes along a normal fault make the Earth contract. We compare the volume changes computed for finite fault models and a point source of the 2011 Tohoku-Oki earthquake (Mw9.0). The big difference of the results indicates that the coseismic changes in the Earth's volume (or the mean radius) are strongly dependent on the earthquakes' focal mechanism, especially the depth and the dip angle. Then we estimate the cumulative volume changes by historical earthquakes (Mw ≥ 7.0) since 1960, and obtain an Earth mean radius expanding rate about 0.011 mm yr-1.

Mapping of hydraulic fractures from tiltmeter measurements

NASA Astrophysics Data System (ADS)

Lecampion, B.; Jeffrey, R.

2003-12-01

In considering the problem of inverse modeling of tiltmeter data for hydraulic fracture mapping, we address the issues of selecting the elastic model to represent the hydraulic fracture and limitations imposed by distance and fracture size on the information that can be recovered about the fracture. A tiltmeter measures, at its location, the changes in the surface inclination in two orthogonal directions. These inclinations are a direct measure of the horizontal gradient of the vertical component of the displacement field. Since advances in instrumentation in the last two decades, this type of apparatus have become extremely precise and can detect inclination changes down to a nanoradian. The simplicity of tiltmeter measurements has attracted interest not only in geophysics, but also in the petroleum industry. The idea of using tiltmeters to monitor hydraulic fractures can be traced back to the paper of Sun te{S} and is now a commercial service offered to the petroleum industry te{W}. However, the modeling and associated inverse problems required to analyze tiltmeter data raise difficult questions. The object(s) (fault, dyke, fracture) responsible for the recorded tilt are often modeled by finite Displacement Discontinuities, also called dislocation models. The validity of this type of model has been extensively discussed te{O,E} and many solutions for different configurations can be found in the literature. We show that it is possible to construct the solution for any type of dislocation model from the fundamental solution for an infinitesimal Displacement Discontinuity tensor. The eigenstrain theory te{M} is used to obtain this fundamental solution from the Green's function for the desired elastic domain (e.g. full or half space). Comparisons with known solutions demonstrate the flexibility of such method. We then focus on the problem of obtaining information about the orientation and size of an opening mode hydraulic fracture from the measured tilt field. One important problem is the identification of all the dimensions of the fracture model (length, width). The ability to obtain these parameters is controlled by limits, expressed in terms of the distance between the measurements and the fracture compared to the size of the fracture itself. The value of this ratio provides a condition that must be met before the fracture length-scales can be resolved. Determination of the fracture orientation is then investigated using a spatial Fourier Transform on the data set. This procedure highlights the requirement on the measurement array needed for a reliable identification: extension, number of tiltmeters, relative angle between the array and the fracture plane. \\begin{thebibliography}{1} \\bibitem{E} {Evans K.} \

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

Approximation to cutoffs of higher modes of Rayleigh waves for a layered earth model

USGS Publications Warehouse

Xu, Y.; Xia, J.; Miller, R.D.

2009-01-01

A cutoff defines the long-period termination of a Rayleigh-wave higher mode and, therefore is a key characteristic of higher mode energy relationship to several material properties of the subsurface. Cutoffs have been used to estimate the shear-wave velocity of an underlying half space of a layered earth model. In this study, we describe a method that replaces the multilayer earth model with a single surface layer overlying the half-space model, accomplished by harmonic averaging of velocities and arithmetic averaging of densities. Using numerical comparisons with theoretical models validates the single-layer approximation. Accuracy of this single-layer approximation is best defined by values of the calculated error in the frequency and phase velocity estimate at a cutoff. Our proposed method is intuitively explained using ray theory. Numerical results indicate that a cutoffs frequency is controlled by the averaged elastic properties within the passing depth of Rayleigh waves and the shear-wave velocity of the underlying half space. ?? Birkh??user Verlag, Basel 2009.

EXCITATION OF A BURIED MAGMATIC PIPE: A SEISMIC SOURCE MODEL FOR VOLCANIC TREMOR.

USGS Publications Warehouse

Chouet, Bernard

1985-01-01

A model of volcanic tremor is presented in which the modes of vibration of a volcanic pipe are excited by the motion of the fluid within the pipe in response to a short-term perturbation in pressure. The model shows the relative importance of the various parts constituting this composite source in the radiated elastic field at near and intermediate distances. The paper starts with the presentation of the elastic field radiated by the source, and proceeds with an analysis of the energy balance between hydraulic and elastic motions. Next, the hydraulic excitation of the source is addressed and, finally, the ground response to this excitation is analyzed in the simple case of a pipe buried in a homogeneous half space.

Mechanisms of strain accommodation in plastically-deformed zircon under simple shear deformation conditions during amphibolite-facies metamorphism

NASA Astrophysics Data System (ADS)

Kovaleva, Elizaveta; Klötzli, Urs; Wheeler, John; Habler, Gerlinde

2018-02-01

This study documents the strain accommodation mechanisms in zircon under amphibolite-facies metamorphic conditions in simple shear. Microstructural data from undeformed, fractured and crystal-plastically deformed zircon crystals are described in the context of the host shear zone, and evaluated in the light of zircon elastic anisotropy. Our work challenges the existing model of zircon evolution and shows previously undescribed rheological characteristics for this important accessory mineral. Crystal-plastically deformed zircon grains have axis oriented parallel to the foliation plane, with the majority of deformed grains having axis parallel to the lineation. Zircon accommodates strain by a network of stepped low-angle boundaries, formed by switching between tilt dislocations with the slip systems <100>{010} and < 1 bar 10>{110} and rotation axis [001], twist dislocations with the rotation axis [001], and tilt dislocations with the slip system <100>{001} and rotation axis [010]. The slip system < 1 bar 10>{110} is newly described for zircon. Most misorientation axes in plastically-deformed zircon grains are parallel to the XY plane of the sample and have [001] crystallographic direction. Such behaviour of strained zircon lattice is caused by elastic anisotropy that has a direct geometric control on the rheology, deformation mechanisms and dominant slip systems in zircon. Young's modulus and P wave velocity have highest values parallel to zircon [001] axis, indicating that zircon is elastically strong along this direction. Poisson ratio and Shear modulus demonstrate that zircon is also most resistant to shearing along [001]. Thus, [001] axis is the most common rotation axis in zircon. The described zircon behaviour is important to take into account during structural and geochronological investigations of (poly)metamorphic terrains. Geometry of dislocations in zircon may help reconstructing the geometry of the host shear zone(s), large-scale stresses in the crust, and, possibly, the timing of deformation, if the isotopic systems of deformed zircon were reset.

Local Variability of the Peierls Barrier of Screw Dislocations in Ta-10W.

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

Foiles, Stephen M.

2017-10-01

It is well know that the addition of substitutional elements changes the mechanical behavior of metals, a effect referred to solid solution hardening. For body-centered-cubic (BCC) metals, screw dislocation play a key role in the mechanical properties. Here the detailed modification of the Peierls barrier for screw dislocation motion in Ta with W substitutional atoms is computing using density functional theory (DFT). A reduced order model (ROM) of the influence of W substitution on the Peierls barrier is developed. The mean field change in the Peierls barrier for a Ta10W alloy is determined and shown to be larger than anticipatedmore » based on simple elasticity considerations. The ROM could be used in future calculations to determine the local variability of the Peierls barrier and the resultant influence on the motion of screw dislocation in this alloy.« less

Development of Intergranular Residual Stress and Its Implication to Mechanical Behaviors at Elevated Temperatures in AL6XN Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Hong, Yanyan; Li, Shilei; Li, Hongjia; Li, Jian; Sun, Guangai; Wang, Yan-Dong

2018-05-01

Neutron diffraction was used to investigate the residual lattice strains in AL6XN austenitic stainless steel subjected to tensile loading at different temperatures, revealing the development of large intergranular stresses after plastic deformation. Elastic-plastic self-consistent modeling was employed to simulate the micromechanical behavior at room temperature. The overall variations of the modeled lattice strains as a function of the sample direction with respect to the loading axis agree in general with the experimental values, indicating that dislocation slip is the main plastic deformation mode. At 300 °C, the serrated flow in the stress-strain curve and the great amount of slip bands indicate the appearance of dynamic strain aging. Except for promoting the local strain concentration, the long-range stress field caused by the planar slip bands near the grain boundaries is also attributed to the decrease in the experimental intergranular strains. An increase in the lattice strains localized at some specific specimen orientations for reflections at 600 °C may be explained by the segregation of solute atoms (Cr and Mo) at dislocation slip bands. The evolution of full-width at half-maximum demonstrates that the dynamic recovery indeed plays an important role in alleviating the local strain concentrations during tensile loading at 600 °C.

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

Metal nanoplates: Smaller is weaker due to failure by elastic instability

NASA Astrophysics Data System (ADS)

Ho, Duc Tam; Kwon, Soon-Yong; Park, Harold S.; Kim, Sung Youb

2017-11-01

Under mechanical loading, crystalline solids deform elastically, and subsequently yield and fail via plastic deformation. Thus crystalline materials experience two mechanical regimes: elasticity and plasticity. Here, we provide numerical and theoretical evidence to show that metal nanoplates exhibit an intermediate mechanical regime that occurs between elasticity and plasticity, which we call the elastic instability regime. The elastic instability regime begins with a decrease in stress, during which the nanoplates fail via global, and not local, deformation mechanisms that are distinctly different from traditional dislocation-mediated plasticity. Because the nanoplates fail via elastic instability, the governing strength criterion is the ideal strength, rather than the yield strength, and as a result, we observe a unique "smaller is weaker" trend. We develop a simple surface-stress-based analytic model to predict the ideal strength of the metal nanoplates, which accurately reproduces the smaller is weaker behavior observed in the atomistic simulations.

SEISMIC RESPONSE OF DAM WITH SOIL-STRUCTURE INTERACTION.

USGS Publications Warehouse

Bycroft, G.N.; Mork, P.N.

1987-01-01

An analytical solution to the response of a long trapezoidal-section dam on a foundation consisting of an elastic half-space and subjected to simulated earthquake motion is developed. An optimum seismic design is achieved when the cross section of the dam is triangular. The effect of soil structure interaction is to lower the strain occurring in the dam.

Reconfigurable interactions and three-dimensional patterning of colloidal particles and defects in lamellar soft media

PubMed Central

Trivedi, Rahul P.; Klevets, Ivan I.; Senyuk, Bohdan; Lee, Taewoo; Smalyukh, Ivan I.

2012-01-01

Colloidal systems find important applications ranging from fabrication of photonic crystals to direct probing of phenomena typically encountered in atomic crystals and glasses. New applications—such as nanoantennas, plasmonic sensors, and nanocircuits—pose a challenge of achieving sparse colloidal assemblies with tunable interparticle separations that can be controlled at will. We demonstrate reconfigurable multiscale interactions and assembly of colloids mediated by defects in cholesteric liquid crystals that are probed by means of laser manipulation and three-dimensional imaging. We find that colloids attract via distance-independent elastic interactions when pinned to the ends of cholesteric oily streaks, line defects at which one or more layers are interrupted. However, dislocations and oily streaks can also be optically manipulated to induce kinks, allowing one to lock them into the desired configurations that are stabilized by elastic energy barriers for structural transformation of the particle-connecting defects. Under the influence of elastic energy landscape due to these defects, sublamellar-sized colloids self-assemble into structures mimicking the cores of dislocations and oily streaks. Interactions between these defect-embedded colloids can be varied from attractive to repulsive by optically introducing dislocation kinks. The reconfigurable nature of defect–particle interactions allows for patterning of defects by manipulation of colloids and, in turn, patterning of particles by these defects, thus achieving desired colloidal configurations on scales ranging from the size of defect core to the sample size. This defect-colloidal sculpturing may be extended to other lamellar media, providing the means for optically guided self-assembly of mesoscopic composites with predesigned properties. PMID:22411822

Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system.

PubMed

Henriksson, K O E; Björkas, C; Nordlund, K

2013-11-06

Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides-Fe3C (cementite) and Cr23C6-being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe.

Atomistic simulations of stainless steels: a many-body potential for the Fe-Cr-C system

NASA Astrophysics Data System (ADS)

Henriksson, K. O. E.; Björkas, C.; Nordlund, K.

2013-11-01

Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides—Fe3C (cementite) and Cr23C6—being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not simply to rely on results obtained from purely metallic Fe-Cr alloys. In this report, an analytical interatomic potential parameterization in the Abell-Brenner-Tersoff form for the entire Fe-Cr-C system is presented to enable such calculations. The potential reproduces, for example, the lattice parameter(s), formation energies and elastic properties of the principal Fe and Cr carbides (Fe3C, Fe5C2, Fe7C3, Cr3C2, Cr7C3, Cr23C6), the Fe-Cr mixing energy curve, formation energies of simple C point defects in Fe and Cr, and the martensite lattice anisotropy, with fair to excellent agreement with empirical results. Tests of the predictive power of the potential show, for example, that Fe-Cr nanowires and bulk samples become elastically stiffer with increasing Cr and C concentrations. High-concentration nanowires also fracture at shorter relative elongations than wires made of pure Fe. Also, tests with Fe3C inclusions show that these act as obstacles for edge dislocations moving through otherwise pure Fe.

A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine

DOE PAGES

Luscher, Darby Jon; Addessio, Francis L.; Cawkwell, Marc Jon; ...

2017-01-01

Here, we have developed a model for the finite deformation thermomechanical response of α-cyclotrimethylene trinitramine (RDX). Our model accounts for nonlinear thermoelastic lattice deformation through a free energy-based equation of state developed by Cawkwell et al. (2016) in combination with temperature and pressure dependent elastic constants, as well as dislocation-mediated plastic slip on a set of slip systems motivated by experimental observation. The kinetics of crystal plasticity are modeled using the Orowan equation relating slip rate to dislocation density and the dislocation velocity developed by Austin and McDowell (2011), which naturally accounts for transition from thermally activated to dislocation dragmore » limited regimes. Evolution of dislocation density is specified in terms of local ordinary differential equations reflecting dislocation–dislocation interactions. This paper presents details of the theory and parameterization of the model, followed by discussion of simulations of flyer plate impact experiments. Impact conditions explored within this combined simulation and experimental effort span shock pressures ranging from 1 to 3 GPa for four crystallographic orientations and multiple specimen thicknesses. Simulation results generated using this model are shown to be in strong agreement with velocimetry measurements from the corresponding plate impact experiments. Finally, simulation results are used to motivate conclusions about the nature of dislocation-mediated plasticity in RDX.« less

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.

Rolling contact of a rigid sphere/sliding of a spherical indenter upon a viscoelastic half-space containing an ellipsoidal inhomogeneity

NASA Astrophysics Data System (ADS)

Koumi, Koffi Espoir; Chaise, Thibaut; Nelias, Daniel

2015-07-01

In this paper, the frictionless rolling contact problem between a rigid sphere and a viscoelastic half-space containing one elastic inhomogeneity is solved. The problem is equivalent to the frictionless sliding of a spherical tip over a viscoelastic body. The inhomogeneity may be of spherical or ellipsoidal shape, the later being of any orientation relatively to the contact surface. The model presented here is three dimensional and based on semi-analytical methods. In order to take into account the viscoelastic aspect of the problem, contact equations are discretized in the spatial and temporal dimensions. The frictionless rolling of the sphere, assumed rigid here for the sake of simplicity, is taken into account by translating the subsurface viscoelastic fields related to the contact problem. Eshelby's formalism is applied at each step of the temporal discretization to account for the effect of the inhomogeneity on the contact pressure distribution, subsurface stresses, rolling friction and the resulting torque. A Conjugate Gradient Method and the Fast Fourier Transforms are used to reduce the computation cost. The model is validated by a finite element model of a rigid sphere rolling upon a homogeneous vciscoelastic half-space, as well as through comparison with reference solutions from the literature. A parametric analysis of the effect of elastic properties and geometrical features of the inhomogeneity is performed. Transient and steady-state solutions are obtained. Numerical results about the contact pressure distribution, the deformed surface geometry, the apparent friction coefficient as well as subsurface stresses are presented, with or without heterogeneous inclusion.

Doubly anharmonic oscillator under the topological effects of a screw dislocation

NASA Astrophysics Data System (ADS)

Bakke, Knut

2018-05-01

We consider an elastic medium with the distortion of a circular curve into a vertical spiral, and investigate the influence of this topological defect on the doubly anharmonic oscillator. We show that the Schrödinger equation for the doubly anharmonic oscillator in the presence of this linear topological defect can be solved analytically. We also obtain the exact expressions for the permitted energies of the ground state of the doubly anharmonic oscillator, and show that the topology of the screw dislocation modifies the spectrum of energy of the doubly anharmonic oscillator.

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

NASA Astrophysics Data System (ADS)

Silbermann, C. B.; Ihlemann, J.

2016-03-01

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

Time-dependent inversions of slow slip at the Hikurangi subduction zone, New Zealand, using numerical Green's functions

NASA Astrophysics Data System (ADS)

Williams, C. A.; Wallace, L. M.; Bartlow, N. M.

2017-12-01

Slow slip events (SSEs) have been observed throughout the world, and the existence of these events has fundamentally altered our understanding of the possible ranges of slip behavior at subduction plate boundaries. In New Zealand, SSEs occur along the Hikurangi Margin, with shallower events in the north and deeper events to the south. In a recent study, Williams and Wallace (2015) found that static SSE inversions that consider elastic property variations provided significantly different results than those based on an elastic half-space. For deeper events, the heterogeneous models predicted smaller amounts of slip, while for shallower events the heterogeneous model predicted larger amounts of slip. In this study, we extend our initial work to examine the temporal variations in slip. We generate Green's functions using the PyLith finite element code (Aagaard et al., 2013) to allow consideration of elastic property variations provided by the New Zealand-wide seismic velocity model (Eberhart-Phillips et al., 2010). These Green's functions are then integrated to provide Green's functions compatible with the Network Inversion Filter (NIF, Segall and Matthews,1997; McGuire and Segall, 2003; Miyazaki et al.,2006). We examine 12 SSEs occurring along the Hikurangi Margin during 2010 and 2011, and compare the results using heterogeneous Green's functions with those of Bartlow et al. (2014), who examined the same set of SSEs with the NIF using a uniform elastic half-space model. The use of heterogeneous Green's functions should provide a more accurate picture of the slip distribution and evolution of the SSEs. This will aid in understanding the correlations between SSEs and seismicity and/or tremor and the role of SSEs in the accommodation of plate motion budgets in New Zealand.

Strengthening and toughening metallic glasses: The elastic perspectives and opportunities

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

Liu, Z. Q.; Zhang, Z. F., E-mail: zhfzhang@imr.ac.cn

2014-04-28

There exist general conflicts between strength and toughness in crystalline engineering materials, and various strengthening and toughening strategies have been developed from the dislocation motion perspectives. Metallic glasses (MGs) have demonstrated great potentials owing to their unique properties; however, their structural applications are strictly limited. One of the key problems is that the traditional strengthening and toughening strategies and mechanisms are not applicable in MGs due to the absence of dislocations and crystalline microstructures. Here, we show that the strength and toughness, or equivalently the shear modulus and Poisson's ratio, are invariably mutually exclusive in MGs. Accordingly, the MGs canmore » be categorized into four groups with different levels of integrated mechanical properties. It is further revealed that the conflicts originate fundamentally from the atomic bonding structures and the levels of strength-toughness combinations are indeed dominated by the bulk modulus. Moreover, we propose novel strategies for optimizing the mechanical properties of MGs from the elastic perspectives. We emphasize the significance of developing high bulk modulus MGs to achieve simultaneously both high strength and good toughness and highlight the elastic opportunities for strengthening and toughening materials.« less

GPS measurements of deformation associated with the 1987 Superstition Hills earthquake: Evidence for conjugate faulting

NASA Technical Reports Server (NTRS)

Larsen, Shawn; Reilinger, Robert; Neugebauer, Helen; Strange, William

1991-01-01

Large station displacements observed from Imperial Valley Global Positioning System (GPS) campaigns are attributed to the November 24, 1987 Superstition Hills earthquake sequence. Thirty sites from a 42 station GPS network established in 1986 were reoccupied during 1988 and/or 1990. Displacements at three sites within 3 kilometers of the surface rupture approach 0.5 m. Eight additional stations within 20 km of the seismic zone are displaced at least 10 cm. This is the first occurrence of a large earthquake (M(sub S) 6.6) within a preexisting GPS network. Best-fitting uniform slip models of rectangular dislocations in an elastic half-space indicate 130 + or - 8 cm right-lateral displacement along the northwest-trending Superstition Hills fault and 30 + or - 10 cm left-lateral displacement along the conjugate northeast-trending Elmore Ranch fault. The geodetic moments are 9.4 x 10(exp 25) dyne-cm and 2.3 x 10(exp 25) dyne-cm for the Superstition Hills and Elmore Ranch faults, respectively, consistent with teleseismic source parameters. The data also suggest the post seismic slip along the Superstition Hills fault is concentrated at shallow depths. Distributed slip solutions using Singular Value Decomposition indicate near uniform displacement along the Elmore Ranch fault and concentrated slip to the northwest and southeast along the Superstition Hills fault. A significant component of non-seismic displacement is observed across the Imperial Valley, which is attributed in part to interseismic plate-boundary deformation.

Characterizing Volumetric Strain at Brady Hot Springs, Nevada, USA Using Geodetic Data, Numerical Models, and Prior Information

NASA Astrophysics Data System (ADS)

Reinisch, E. C.; Feigl, K. L.; Cardiff, M. A.; Morency, C.; Kreemer, C.; Akerley, J.

2017-12-01

Time-dependent deformation has been observed at Brady Hot Springs using data from the Global Positioning System (GPS) and interferometric synthetic aperture radar (InSAR) [e.g., Ali et al. 2016, http://dx.doi.org/10.1016/j.geothermics.2016.01.008]. We seek to determine the geophysical process governing the observed subsidence. As two end-member hypotheses, we consider thermal contraction and a decrease in pore fluid pressure. A decrease in temperature would cause contraction in the subsurface and subsidence at the surface. A decrease in pore fluid pressure would allow the volume of pores to shrink and also produce subsidence. To simulate these processes, we use a dislocation model that assumes uniform elastic properties in a half space [Okada, 1985]. The parameterization consists of many cubic volume elements (voxels), each of which contracts by closing its three mutually orthogonal bisecting square surfaces. Then we use linear inversion to solve for volumetric strain in each voxel given a measurement of range change. To differentiate between the two possible hypotheses, we use a Bayesian framework with geostatistical prior information. We perform inversion using each prior to decide if one leads to a more geophysically reasonable interpretation than the other. This work is part of a project entitled "Poroelastic Tomography by Adjoint Inverse Modeling of Data from Seismology, Geodesy, and Hydrology" and is supported by the Geothermal Technology Office of the U.S. Department of Energy [DE-EE0006760].

Formation of Island Arc-Trench System due to Plate Subduction on the Basis of Elastic Dislocation Theory

NASA Astrophysics Data System (ADS)

Fukahata, Y.; Matsu'ura, M.

2015-12-01

The most conspicuous cumulative deformation in subduction zones is the formation of island arc-trench system. A pair of anomalies in topography and free-air gravity, high in the arc and low around the trench, is observed without exceptions all over the world. Since the 1960s, elastic dislocation theory has been widely used to interpret coseismic crustal deformation. For the modeling of longer-term crustal deformation, it is necessary to consider viscoelastic properties of the asthenosphere. By simply applying elastic-viscoelastic dislocation theory to plate subduction, Matsu'ura and Sato (1989, GJI) have shown that some crustal deformation remains after the completion of one earthquake cycle, which means that crustal deformation accumulates with time in a long term due to plate subduction. In fact, by constructing a plate interface model in and around Japan, Hashimoto, Fukui and Matsu'ura (2004, PAGEOPH) have demonstrated that the computed vertical displacements due to steady plate subduction well explain the observed free-air gravity anomaly pattern. Recently, we got a lucid explanation of crustal deformation due to plate subduction. In subduction zones, oceanic plates bend and descend into the mantle. Because the bending of oceanic plates is usually not spontaneous, there exists kinematic interaction between the oceanic and overriding plates, which causes cumulative deformation of the overriding plate. This may be understood based on the law of action and reaction: one is bending of an oceanic plate and the other is deformation of the overriding plate. As a special case, it is useful to consider plate subduction along a part of true circle. In this case, crustal deformation due to steady subduction is solely caused by the effect of gravity, because dislocation along a circle does not cause any intrinsic internal deformation. When an oceanic plate is descending along an arcuate plate interface from the right-hand side, according to dislocation theory, the oceanic plate rotates anti-clockwise and the overriding plate rotates clockwise. The gravity, however, requires both plates at a distance from the trench to remain in the original gravitational equilibrium, which results in upward bending of both plates. As subduction proceeds, the deformation of the upward bending accumulates with time.

Ultrasonic input-output for transmitting and receiving longitudinal transducers coupled to same face of isotropic elastic plate

NASA Technical Reports Server (NTRS)

Williams, J. H., Jr.; Karagulle, H.; Lee, S. S.

1982-01-01

The quantitative understanding of ultrasonic nondestructive evaluation parameters such as the stress wave factor were studied. Ultrasonic input/output characteristics for an isotropic elastic plate with transmitting and receiving longitudinal transducers coupled to the same face were analyzed. The asymptotic normal stress is calculated for an isotropic elastic half space subjected to a uniform harmonic normal stress applied to a circular region at the surface. The radiated stress waves are traced within the plate by considering wave reflections at the top and bottom faces. The output voltage amplitude of the receiving transducer is estimated by considering only longitudinal waves. Agreement is found between the output voltage wave packet amplitudes and times of arrival due to multiple reflections of the longitudinal waves.

Experimental Study of Sound Waves in Sandy Sediment

DTIC Science & Technology

2003-05-01

parameter model ) and measurements (using a reflection ratio technique) includes derivations and measurements of acoustic imped- ances, effective densities...22 2.9 Model Used to Find Acoustic Impedance of Biot Medium . . . . . . . . . . . . . . 24 2.10 Free Body Diagram of...38] derived the complex reflection coefficient of plane acoustic waves from a poro-elastic sediment half-space. The boundary condition model is

Dynamic interaction of twin vertically overlapping lined tunnels in an elastic half space subjected to incident plane waves

NASA Astrophysics Data System (ADS)

Liu, Zhongxian; Wang, Yirui; Liang, Jianwen

2016-06-01

The scattering of plane harmonic P and SV waves by a pair of vertically overlapping lined tunnels buried in an elastic half space is solved using a semi-analytic indirect boundary integration equation method. Then the effect of the distance between the two tunnels, the stiffness and density of the lining material, and the incident frequency on the seismic response of the tunnels is investigated. Numerical results demonstrate that the dynamic interaction between the twin tunnels cannot be ignored and the lower tunnel has a significant shielding effect on the upper tunnel for high-frequency incident waves, resulting in great decrease of the dynamic hoop stress in the upper tunnel; for the low-frequency incident waves, in contrast, the lower tunnel can lead to amplification effect on the upper tunnel. It also reveals that the frequency-spectrum characteristics of dynamic stress of the lower tunnel are significantly different from those of the upper tunnel. In addition, for incident P waves in low-frequency region, the soft lining tunnels have significant amplification effect on the surface displacement amplitude, which is slightly larger than that of the corresponding single tunnel.

Influence of pore pressure change on coseismic volumetric strain

USGS Publications Warehouse

Wang, Chi-Yuen; Barbour, Andrew J.

2017-01-01

Coseismic strain is fundamentally important for understanding crustal response to changes of stress after earthquakes. The elastic dislocation model has been widely applied to interpreting observed shear deformation caused by earthquakes. The application of the same theory to interpreting volumetric strain, however, has met with difficulty, especially in the far field of earthquakes. Predicted volumetric strain with dislocation model often differs substantially, and sometimes of opposite signs, from observed coseismic volumetric strains. The disagreement suggests that some processes unaccounted for by the dislocation model may occur during earthquakes. Several hypotheses have been suggested, but none have been tested quantitatively. In this paper we first examine published data to highlight the difference between the measured and calculated static coseismic volumetric strains; we then use these data to provide quantitative test of the model that the disagreement may be explained by the change of pore pressure in the shallow crust. The test allows us to conclude that coseismic change of pore pressure may be an important mechanism for coseismic crustal strain and, in the far field, may even be the dominant mechanism. Thus in the interpretation of observed coseismic crustal strain, one needs to account not only for the elastic strain due to fault rupture but also for the strain due to coseismic change of pore pressure.

Properties of a Laser Shock Wave in Al-Cu Alloy under Elevated Temperatures: A Molecular Dynamics Simulation Study

PubMed Central

Meng, Xiankai; Zhou, Jianzhong; Huang, Shu; Su, Chun; Sheng, Jie

2017-01-01

The laser shock wave (LSW) generated by the interaction between a laser and a material has been widely used in laser manufacturing, such as laser shock peening and laser shock forming. However, due to the high strain rate, the propagation of LSW in materials, especially LSW at elevated temperatures, is difficult to study through experimental methods. A molecular dynamics simulation was used in this study to investigate the propagation of LSW in an Al-Cu alloy. The Hugoniot relations of LSW were obtained at different temperatures and the effects of elevated temperatures on shock velocity and shock pressure were analyzed. Then the elastic and plastic wave of the LSW was researched. Finally, the evolution of dislocations induced by LSW and its mechanism under elevated temperatures was explored. The results indicate that the shock velocity and shock pressure induced by LSW both decrease with the increasing temperatures. Moreover, the velocity of elastic wave and plastic wave both decrease with the increasing treatment temperature, while their difference decreases as the temperature increases. Moreover, the dislocation atoms increases with the increasing temperatures before 2 ps, while it decreases with the increasing temperatures after 2 ps. The reason for the results is related to the formation and evolution of extended dislocations. PMID:28772433

Properties of a Laser Shock Wave in Al-Cu Alloy under Elevated Temperatures: A Molecular Dynamics Simulation Study.

PubMed

Meng, Xiankai; Zhou, Jianzhong; Huang, Shu; Su, Chun; Sheng, Jie

2017-01-18

The laser shock wave (LSW) generated by the interaction between a laser and a material has been widely used in laser manufacturing, such as laser shock peening and laser shock forming. However, due to the high strain rate, the propagation of LSW in materials, especially LSW at elevated temperatures, is difficult to study through experimental methods. A molecular dynamics simulation was used in this study to investigate the propagation of LSW in an Al-Cu alloy. The Hugoniot relations of LSW were obtained at different temperatures and the effects of elevated temperatures on shock velocity and shock pressure were analyzed. Then the elastic and plastic wave of the LSW was researched. Finally, the evolution of dislocations induced by LSW and its mechanism under elevated temperatures was explored. The results indicate that the shock velocity and shock pressure induced by LSW both decrease with the increasing temperatures. Moreover, the velocity of elastic wave and plastic wave both decrease with the increasing treatment temperature, while their difference decreases as the temperature increases. Moreover, the dislocation atoms increases with the increasing temperatures before 2 ps, while it decreases with the increasing temperatures after 2 ps. The reason for the results is related to the formation and evolution of extended dislocations.

Geometrically Nonlinear Field Fracture Mechanics and Crack Nucleation, Application to Strain Localization Fields in Al-Cu-Li Aerospace Alloys.

PubMed

Gupta, Satyapriya; Taupin, Vincent; Fressengeas, Claude; Jrad, Mohamad

2018-03-27

The displacement discontinuity arising between crack surfaces is assigned to smooth densities of crystal defects referred to as disconnections, through the incompatibility of the distortion tensor. In a dual way, the disconnections are defined as line defects terminating surfaces where the displacement encounters a discontinuity. A conservation statement for the crack opening displacement provides a framework for disconnection dynamics in the form of transport laws. A similar methodology applied to the discontinuity of the plastic displacement due to dislocations results in the concurrent involvement of dislocation densities in the analysis. Non-linearity of the geometrical setting is assumed for defining the elastic distortion incompatibility in the presence of both dislocations and disconnections, as well as for their transport. Crack nucleation in the presence of thermally-activated fluctuations of the atomic order is shown to derive from this nonlinearity in elastic brittle materials, without any algorithmic rule or ad hoc material parameter. Digital image correlation techniques applied to the analysis of tensile tests on ductile Al-Cu-Li samples further demonstrate the ability of the disconnection density concept to capture crack nucleation and relate strain localization bands to consistent disconnection fields and to the eventual occurrence of complex and combined crack modes in these alloys.

Stiffness of frictional contact of dissimilar elastic solids

DOE PAGES

Lee, Jin Haeng; Gao, Yanfei; Bower, Allan F.; ...

2017-12-22

The classic Sneddon relationship between the normal contact stiffness and the contact size is valid for axisymmetric, frictionless contact, in which the two contacting solids are approximated by elastic half-spaces. Deviation from this result critically affects the accuracy of the load and displacement sensing nanoindentation techniques. This study gives a thorough numerical and analytical investigation of corrections needed to the Sneddon solution when finite Coulomb friction exists between an elastic half-space and a flat-ended rigid punch with circular or noncircular shape. Because of linearity of the Coulomb friction, the correction factor is found to be a function of the frictionmore » coefficient, Poisson's ratio, and the contact shape, but independent of the contact size. Two issues are of primary concern in the finite element simulations – adequacy of the mesh near the contact edge and the friction implementation methodology. Although the stick or slip zone sizes are quite different from the penalty or Lagrangian methods, the calculated contact stiffnesses are almost the same and may be considerably larger than those in Sneddon's solution. For circular punch contact, the numerical solutions agree remarkably well with a previous analytical solution. For non-circular punch contact, the results can be represented using the equivalence between the contact problem and bi-material fracture mechanics. Finally, the correction factor is found to be a product of that for the circular contact and a multiplicative factor that depends only on the shape of the punch but not on the friction coefficient or Poisson's ratio.« less

Stiffness of frictional contact of dissimilar elastic solids

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

Lee, Jin Haeng; Gao, Yanfei; Bower, Allan F.

The classic Sneddon relationship between the normal contact stiffness and the contact size is valid for axisymmetric, frictionless contact, in which the two contacting solids are approximated by elastic half-spaces. Deviation from this result critically affects the accuracy of the load and displacement sensing nanoindentation techniques. This study gives a thorough numerical and analytical investigation of corrections needed to the Sneddon solution when finite Coulomb friction exists between an elastic half-space and a flat-ended rigid punch with circular or noncircular shape. Because of linearity of the Coulomb friction, the correction factor is found to be a function of the frictionmore » coefficient, Poisson's ratio, and the contact shape, but independent of the contact size. Two issues are of primary concern in the finite element simulations – adequacy of the mesh near the contact edge and the friction implementation methodology. Although the stick or slip zone sizes are quite different from the penalty or Lagrangian methods, the calculated contact stiffnesses are almost the same and may be considerably larger than those in Sneddon's solution. For circular punch contact, the numerical solutions agree remarkably well with a previous analytical solution. For non-circular punch contact, the results can be represented using the equivalence between the contact problem and bi-material fracture mechanics. Finally, the correction factor is found to be a product of that for the circular contact and a multiplicative factor that depends only on the shape of the punch but not on the friction coefficient or Poisson's ratio.« less

Stiffness of frictional contact of dissimilar elastic solids

NASA Astrophysics Data System (ADS)

Lee, Jin Haeng; Gao, Yanfei; Bower, Allan F.; Xu, Haitao; Pharr, George M.

2018-03-01

The classic Sneddon relationship between the normal contact stiffness and the contact size is valid for axisymmetric, frictionless contact, in which the two contacting solids are approximated by elastic half-spaces. Deviation from this result critically affects the accuracy of the load and displacement sensing nanoindentation techniques. This paper gives a thorough numerical and analytical investigation of corrections needed to the Sneddon solution when finite Coulomb friction exists between an elastic half-space and a flat-ended rigid punch with circular or noncircular shape. Because of linearity of the Coulomb friction, the correction factor is found to be a function of the friction coefficient, Poisson's ratio, and the contact shape, but independent of the contact size. Two issues are of primary concern in the finite element simulations - adequacy of the mesh near the contact edge and the friction implementation methodology. Although the stick or slip zone sizes are quite different from the penalty or Lagrangian methods, the calculated contact stiffnesses are almost the same and may be considerably larger than those in Sneddon's solution. For circular punch contact, the numerical solutions agree remarkably well with a previous analytical solution. For non-circular punch contact, the results can be represented using the equivalence between the contact problem and bi-material fracture mechanics. The correction factor is found to be a product of that for the circular contact and a multiplicative factor that depends only on the shape of the punch but not on the friction coefficient or Poisson's ratio.

Structural Rheology of the Smectic Phase

PubMed Central

Fujii, Shuji; Komura, Shigeyuki; Lu, Chun-Yi David

2014-01-01

In this review article, we discuss the rheological properties of the thermotropic smectic liquid crystal 8CB with focal conic domains (FCDs) from the viewpoint of structural rheology. It is known that the unbinding of the dislocation loops in the smectic phase drives the smectic-nematic transition. Here we discuss how the unbinding of the dislocation loops affects the evolution of the FCD size, linear and nonlinear rheological behaviors of the smectic phase. By studying the FCD formation from the perpendicularly oriented smectic layers, we also argue that dislocations play a key role in the structural development in layered systems. Furthermore, similarities in the rheological behavior between the FCDs in the smectic phase and the onion structures in the lyotropic lamellar phase suggest that these systems share a common physical origin for the elasticity. PMID:28788123

AFM Investigation of Liquid-Filled Polymer Microcapsules Elasticity.

PubMed

Sarrazin, Baptiste; Tsapis, Nicolas; Mousnier, Ludivine; Taulier, Nicolas; Urbach, Wladimir; Guenoun, Patrick

2016-05-10

Elasticity of polymer microcapsules (MCs) filled with a liquid fluorinated core is studied by atomic force microscopy (AFM). Accurately characterized spherical tips are employed to obtain the Young's moduli of MCs having four different shell thicknesses. We show that those moduli are effective ones because the samples are composites. The strong decrease of the effective MC elasticity (from 3.0 to 0.1 GPa) as the shell thickness decreases (from 200 to 10 nm) is analyzed using a novel numerical approach. This model describes the evolution of the elasticity of a coated half-space according to the contact radius, the thickness of the film, and the elastic moduli of bulk materials. This numerical model is consistent with the experimental data and allows simulating the elastic behavior of MCs at high frequencies (5 MHz). While the quasi-static elasticity of the MCs is found to be very dependent on the shell thickness, the high frequency (5 MHz) elastic behavior of the core leads to a stable behavior of the MCs (from 2.5 to 3 GPa according to the shell thickness). Finally, the effect of thermal annealing on the MCs elasticity is investigated. The Young's modulus is found to decrease because of the reduction of the shell thickness due to the loss of the polymer.

Software to compute elastostatic Green's functions for sources in 3D homogeneous elastic layers above a (visco)elastic halfspace

NASA Astrophysics Data System (ADS)

Bradley, A. M.; Segall, P.

2012-12-01

We describe software, in development, to calculate elastostatic displacement Green's functions and their derivatives for point and polygonal dislocations in three-dimensional homogeneous elastic layers above an elastic or a viscoelastic halfspace. The steps to calculate a Green's function for a point source at depth zs are as follows. 1. A grid in wavenumber space is chosen. 2. A six-element complex rotated stress-displacement vector x is obtained at each grid point by solving a two-point boundary value problem (2P-BVP). If the halfspace is viscoelastic, the solution is inverse Laplace transformed. 3. For each receiver, x is propagated to the receiver depth zr (often zr = 0) and then, 4, inverse Fourier transformed, with the Fourier component corresponding to the receiver's horizontal position. 5. The six elements are linearly combined into displacements and their derivatives. The dominant work is in step 2. The grid is chosen to represent the wavenumber-space solution with as few points as possible. First, the wavenumber space is transformed to increase sampling density near 0 wavenumber. Second, a tensor-product grid of Chebyshev points of the first kind is constructed in each quadrant of the transformed wavenumber space. Moment-tensor-dependent symmetries further reduce work. The numerical solution of the 2P-BVP problem in step 2 involves solving a linear equation A x = b. Half of the elements of x are of geophysical interest; the subset depends on whether zr ≤ zs. Denote these \\hat x. As wavenumber k increases, \\hat x can become inaccurate in finite precision arithmetic for two reasons: 1. The condition number of A becomes too large. 2. The norm-wise relative error (NWRE) in \\hat x is large even though it is small in x. To address this problem, a number of researchers have used determinants to obtain x. This may be the best approach for 6-dimensional or smaller 2P-BVP, where the combinatorial increase in work is still moderate. But there is an alternative. Let \\bar A be the matrix after scaling its columns to unit infinity norm and \\bar x the scaled x. If \\bar A is well conditioned, as it often is in (visco)elastostatic problems, then using determinants is unnecessary. Multiply each side of A x = b by a propagator matrix to the computation depth zcd prior to storing the matrix in finite precision. zcd is determined by the rule that zr and zcd must be on opposite sides of zs. Let the resulting matrix be A(zcd). Three facts imply that this rule controls the NWRE in \\hat x: 1. Diagonally scaling a matrix changes the accuracy of an element of the solution by about one ULP (unit in the last place). 2. If the NWRE of \\bar x is small, then the largest elements are accurate. 3. zcd controls the magnitude of elements in \\bar x. In step 4, to avoid numerically Fourier transforming the (nearly) non-square-integrable functions that arise when the receiver and source depths are (nearly) the same, a function is divided into an analytical part and a numerical part that goes quickly to 0 as k -> ∞ . Our poster will describe these calculations, present a preliminary interface to a C-language package in development, and show some physical results.

Continuous deflation and plate spreading at the Askja volcanic system, Iceland: Constrains on deformation processes from finite element models using temperature-dependent non-linear rheology

NASA Astrophysics Data System (ADS)

Tariqul Islam, Md.; Sturkell, Erik; Sigmundsson, Freysteinn; Drouin, Vincent Jean Paul B.; Ófeigsson, Benedikt G.

2014-05-01

Iceland is located on the mid Atlantic ridge, where the spreading rate is nearly 2 cm/yr. The high rate of magmatism in Iceland is caused by the interaction between the Iceland hotspot and the divergent mid-Atlantic plate boundary. Iceland hosts about 35 volcanoes or volcanic systems that are active. Most of these are aliened along the plate boundary. The best studied magma chamber of central volcanoes (e.g., Askja, Krafla, Grimsvötn, Katla) have verified (suggested) a shallow magma chamber (< 5 km), which has been model successfully with a Mogi source, using elastic and/or elastic-viscoelastic half-space. Maxwell and Newtonian viscosity is mainly considered for viscoelastic half-space. Therefore, rheology may be oversimplified. Our attempt is to study deformation of the Askja volcano together with plate spreading in Iceland using temperature-dependent non-linear rheology. It offers continuous variation of rheology, laterally and vertically from rift axis and surface. To implement it, we consider thermo-mechanic coupling models where rheology follows dislocation flow in dry condition based on a temperature distribution. Continuous deflation of the Askja volcanic system is associated with solidification of magma in the magma chamber and post eruption relaxation. A long time series of levelling data show its subsidence trend to exponentially. In our preliminary models, a magma chamber at 2.8 km depth with 0.5 km radius is introduced at the ridge axis as a Mogi source. Simultaneously far field of rift axis stretching by 18.4 mm/yr (measured during 2007 to 20013) is applied to reproduce plate spreading. Predicted surface deformation caused of combined effect of tectonic-volcanic activities is evaluated with GPS during 2003-2009 and RADARSAT InSAR data during 2000 to 2010. During 2003-2009, data from the GPS site OLAF (close to the centre of subsidence) shows average rate of subsidence 19±1 mm/yr relative to the ITRF2005 reference frame. The MASK (Mid ASKJA) site is another GPS station at the top of predicted centre of magma chamber correlates well with OLAF site at 500 m distance from MASK. Average subsidence rates derived from GPS measurements show comparable rate derived from InSAR data. Velocities derived from InSAR show that the yearly maximum subsidence rates in the Askja caldera decrease linearly. The optimized pressure decrease in the magma chamber from the model follows an exponential decay, with P (MPa) = 2.0177 EXP(-0.0176x), where x is the numbers of years (1,2,3 .. 10). However total ramp pressure drop during this period (10 years) is 4 MPa and additional 4.68 MPa pressure drop may be caused of rheological relaxation.

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

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

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

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

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

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

DOE PAGES

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

2018-03-05

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

Grain-boundary free energy in an assembly of elastic disks.

PubMed

Lusk, Mark T; Beale, Paul D

2004-02-01

Grain-boundary free energy is estimated as a function of misoriention for symmetric tilt boundaries in an assembly of nearly hard disks. Fluctuating cell theory is used to accomplish this since the most common techniques for calculating interfacial free energy cannot be applied to such assemblies. The results are analogous to those obtained using a Leonard-Jones potential, but in this case the interfacial energy is dominated by an entropic contribution. Disk assemblies colorized with free and specific volume elucidate differences between these two characteristics of boundary structure. Profiles are also provided of the Helmholtz and Gibbs free energies as a function of distance from the grain boundaries. Low angle grain boundaries are shown to follow the classical relationship between dislocation orientation/spacing and misorientation angle.

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 ”.

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

Axisymmetric deformation of a poroelastic layer overlying an elastic half-space due to surface loading

NASA Astrophysics Data System (ADS)

Rani, Sunita; Rani, Sunita

2017-11-01

The axisymmetric deformation of a homogeneous, isotropic, poroelastic layer of uniform thickness overlying a homogeneous, isotropic, elastic half-space due to surface loads has been obtained. The fluid and the solid constituents of the porous layer are compressible and the permeability in vertical direction is different from its permeability in horizontal direction. The displacements and pore-pressure are taken as basic state variables. An analytical solution for the pore-pressure, displacements and stresses has been obtained using the Laplace-Hankel transform technique. The case of normal disc loading is discussed in detail. Diffusion of pore-pressure is obtained in the space-time domain. The Laplace inversion is evaluated using the fixed Talbot algorithm and the Hankel inversion using the extended Simpson's rule. Two different models of the Earth have been considered: continental crust model and oceanic crust model. For continental crust model, the layer is assumed to be of Westerly Granite and for the oceanic crust model of Hanford Basalt. The effect of the compressibilities of the fluid as well as solid constituents and anisotropy in permeability has been studied on the diffusion of pore-pressure. Contour maps have been plotted for the diffusion of pore-pressure for both models. It is observed that the pore-pressure changes to compression for the continental crust model with time, which is not true for the oceanic crust.

Latency-Information Theory: The Mathematical-Physical Theory of Communication-Observation

DTIC Science & Technology

2010-01-01

Werner Heisenberg of quantum mechanics; 3) the source-entropy and channel-capacity lossless performance bounds of Claude Shannon that guide...through noisy intel-space channels, and where the physical time-dislocations of intel-space exhibit a passing of time Heisenberg information...life-space sensor, and where the physical time- dislocations of life-space exhibit a passing of time Heisenberg information-uncertainty; and 4

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.

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

NASA Astrophysics Data System (ADS)

Bonny, G.; Bakaev, A.; Terentyev, D.; Mastrikov, Yu. A.

2017-04-01

In this work, an interatomic potential for the W-Re system is fitted and benchmarked against experimental and density functional theory (DFT) data, of which part are generated in this work. Having in mind studies related to the plasticity of W-Re alloys under irradiation, emphasis is put on fitting point-defect properties, elastic constants, and dislocation properties. The developed potential can reproduce the mechanisms responsible for the experimentally observed softening, i.e., decreasing shear moduli, decreasing Peierls barrier, and asymmetric screw dislocation core structure with increasing Re content in W-Re solid solutions. In addition, the potential predicts elastic constants in reasonable agreement with DFT data for the phases forming non-coherent precipitates (σ- and χ-phases) in W-Re alloys. In addition, the mechanical stability of the different experimentally observed phases is verified in the temperature range of interest (700-1500 K). As a conclusion, the presented potential provides an excellent tool to study plasticity in W-Re alloys at the atomic level.

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.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

The influence of closed brine pockets and permeable brine channels on the thermo-elastic properties of saline ice

PubMed Central

Lishman, Ben

2017-01-01

A model of the thermo-elastic behaviour of saline ice is formulated, and model solutions describing thermo-elastic waves (TEW) propagating into a half-space of the ice are investigated. The model is based on a proposal that saline ice is a matrix, which encompasses both closed brine pockets and permeable channels filled with brine. Experiments on the thermal expansion of saline ice samples, and on TEW in saline ice, have been performed in the cold laboratories of the University Centre in Svalbard and in University College London. The experimental data are compared with theoretical conclusions. The experimental data support our hypothesis that the brine in saline ice is divided between closed pockets and open, permeable channels. This article is part of the themed issue ‘Microdynamics of ice’. PMID:28025299

Effect of screw threading dislocations and inverse domain boundaries in GaN on the shape of reciprocal-space maps.

PubMed

Barchuk, Mykhailo; Motylenko, Mykhaylo; Lukin, Gleb; Pätzold, Olf; Rafaja, David

2017-04-01

The microstructure of polar GaN layers, grown by upgraded high-temperature vapour phase epitaxy on [001]-oriented sapphire substrates, was studied by means of high-resolution X-ray diffraction and transmission electron microscopy. Systematic differences between reciprocal-space maps measured by X-ray diffraction and those which were simulated for different densities of threading dislocations revealed that threading dislocations are not the only microstructure defect in these GaN layers. Conventional dark-field transmission electron microscopy and convergent-beam electron diffraction detected vertical inversion domains as an additional microstructure feature. On a series of polar GaN layers with different proportions of threading dislocations and inversion domain boundaries, this contribution illustrates the capability and limitations of coplanar reciprocal-space mapping by X-ray diffraction to distinguish between these microstructure features.

Birefringence and incipient plastic deformation in elastically overdriven [100] CaF2 under shock compression

NASA Astrophysics Data System (ADS)

Li, Y.; Zhou, X. M.; Cai, Y.; Liu, C. L.; Luo, S. N.

2018-04-01

[100] CaF2 single crystals are shock-compressed via symmetric planar impact, and the flyer plate-target interface velocity histories are measured with a laser displacement interferometry. The shock loading is slightly above the Hugoniot elastic limit to investigate incipient plasticity and its kinetics, and its effects on optical properties and deformation inhomogeneity. Fringe patterns demonstrate different features in modulation of fringe amplitude, including birefringence and complicated modulations. The birefringence is attributed to local lattice rotation accompanying incipient plasticity. Spatially resolved measurements show inhomogeneity in deformation, birefringence, and fringe pattern evolutions, most likely caused by the inhomogeneity associated with lattice rotation and dislocation slip. Transiently overdriven elastic states are observed, and the incubation time for incipient plasticity decreases inversely with increasing overdrive by the elastic shock.

23 October 2011 (Mw=7.2) Van Earthquake (Turkey): Revised Coseismic and Postseismic Models from New GPS Observations

NASA Astrophysics Data System (ADS)

Dogan, U.; Demir, D. O.; Cakir, Z.; Ergintav, S.; Cetin, S.; Ozdemir, A.; Reilinger, R. E.

2017-12-01

The 23 October 2011, Mw=7.2 Van Earthquake occurred in eastern Turkey on a thrust fault trending NE-SW and dipping to the north. We use GPS time series from the survey and continuous stations to determine coseismic deformation and to identify spatial and temporal changes in the near and far field due to postseismic processes (2011-2017). The coseismic deformation in the near field is derived from GPS data collected at 25 cadastral GPS survey sites. The coseismic horizontal displacements reach nearly 50 cm close to the surface trace of the fault that ruptured at depth during the earthquake. The density and distribution of the GPS sites allow us to better constrain the extent of the coseismic rupture using elastic dislocations on triangular faults embedded in a homogeneous, elastic half space. Modeling studies suggest that the coseismic rupture stopped west of the Erçek Lake before veering to the north. Estimated seismic moment is in good agreement with the seismologically and geodetically estimated seismic moment, estimated from the finite-fault model. Our preferred coseismic model consists of a simple elliptical slip patch centered at around 8 km depth with a maximum slip of about 2.5 m, consistent with the previous estimates based on InSAR measurements. The postseismic deformation field is derived from far field continuous GPS observations (10.2011 - 11.2017) and near field GPS campaigns (10.2011 - 09.2015). The postseismic time-series are fit better with a logarithmic than an exponential function, suggesting that the postseismic deformation is due to afterslip. Then, we modified our published postseismic model, using the coseismic model and data sets, extended until the end of 2017. The results show that during 6 years following the earthquake, after slip of up to 65 cm occurred at relatively shallow (< 10 km) depths, mostly above the deep coseismic slip that reaches depths > 15 km. New interpretations of the shallow afterslip, also, adds further evidence that the surface break observed after the earthquake was caused by coseismic stress changes rather than representing the coseismic fault. (This study is supported by TUBITAK no: 112Y109 project). Keywords: Van earthquake, GPS, coseismic, postseismic, deformation, elastic modeling

Thoracic Trauma: Which Chest Tube When and Where?

PubMed

Molnar, Tamas F

2017-02-01

Clinical suspicion of hemo/pneumothorax: when in doubt, drain the chest. Stable chest trauma with hemo/pneumothorax: drain and wait. Unstable patient with dislocated trachea must be approached with drain in hand and scalpel ready. Massive hemo/pneumothorax may be controlled by drainage alone. The surgeon should not hesitate to open the chest if too much blood drains over a short period. The chest drainage procedure does not end with the last stitch; the second half of the match is still ahead. The drained patient is in need of physiotherapy and proper pain relief with an extended pleural space: control the suction system. Copyright © 2016 Elsevier Inc. All rights reserved.

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.

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.

Cohesive stress heterogeneities and the transition from intrinsic ductility to brittleness

NASA Astrophysics Data System (ADS)

Tanguy, D.

2017-11-01

The influence of nanoscale cavities on the fracture of the Σ 33 {554 }[110 ] symmetrical tilt grain boundary is studied by atomistic simulations. The crack crystallography is chosen such that dislocation emission is easy. A transition from a ductile behavior of the tip to a brittle one is obtained for a dense (coverage beyond 15% and intercavity spacing smaller than 4 nm) distribution of small cavities (sizes in-between 1 and 2 nm). The results are in good agreement with recent experiments from the literature. Even at the highest coverage, the character of the crack is highly sensitive to the initial position of the tip and a mixture of ductile and brittle responses is found. This complexity is beyond the usual criterion based on the drop of the work of separation with the amount of damage in the structure. It is shown that a heterogeneous cohesive zone model, with parameters extracted from the simulations and enriched with a criterion for plasticity, can explain the simulations and reproduce the transition. Additional simulations show that outside this range of small sizes and dense packing, which gives essentially a two-dimensional response (either crack opening or infinite straight dislocation emission), dislocation half-loops appear for intercavity spacing starting at about 4 nm. They constitute, together with regions of low coverage/small cavities, efficient obstacles to brittle cracking. These results could be guidelines to designing interfaces more resistant to solute embrittlement, in general. The cohesive zone model is generic. Furthermore, the {554} single crystal was used to determine to which extent the results depend on the details of the core structure versus the cavity distribution. These elements show that the conclusions reached have a generic character.

Elastic constants of hcp 4He: Path-integral Monte Carlo results versus experiment

NASA Astrophysics Data System (ADS)

Ardila, Luis Aldemar Peña; Vitiello, Silvio A.; de Koning, Maurice

2011-09-01

The elastic constants of hcp 4He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a periodic cell containing 180 atoms, followed by measurement of the elements of the corresponding stress tensor. For this purpose an appropriate path-integral expression for the stress tensor observable is derived and implemented into the pimc++ package. In addition to allowing the determination of the elastic stiffness constants, this development also opens the way to an explicit atomistic determination of the Peierls stress for dislocation motion using the PIMC technique. A comparison of the results to available experimental data shows an overall good agreement of the density dependence of the elastic constants, with the single exception of C13. Additional calculations for the bcc phase, on the other hand, show good agreement for all elastic constants.

The effect of dissipation on the resistive admittance of an elastic medium.

PubMed

Photiadis, Douglas M

2012-03-01

The effect of dissipation on the real part of the admittance of an elastic half-space is typically thought to be unimportant if the loss factor ζ of the elastic medium is small. However, dissipation induces losses in the near field of the source and, provided the size of the source is small enough, this phenomenon can be more important than elastic wave radiation. Such losses give rise to a fundamental limit in the quality factor of an oscillator attached to a substrate. Near field losses associated with strains in the elastic substrate can actually be larger than intrinsic losses in the oscillator itself if the internal friction of the substrate is larger than the internal friction of the oscillator. For a uniform stress applied to a disk of radius a, a monopole source, such phenomena become significant for k(L)a<ζ, while for higher order multipole sources of order l, near field losses are important for (k(L)a)(l+1)<ζ, a far less restrictive constraint. © 2012 Acoustical Society of America

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

NASA Astrophysics Data System (ADS)

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

2017-07-01

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

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

PubMed

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

2017-07-28

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

The response of creeping parts of the San Andreas fault to earthquakes on nearby faults: Two examples

USGS Publications Warehouse

Simpson, R.W.; Schulz, S.S.; Dietz, L.D.; Burford, R.O.

1988-01-01

Rates of shallow slip on creeping sections of the San Andreas fault have been perturbed on a number of occasions by earthquakes occurring on nearby faults. One example of such perturbations occurred during the 26 January 1986 magnitude 5.3 Tres Pinos earthquake located about 10 km southeast of Hollister, California. Seven creepmeters on the San Andreas fault showed creep steps either during or soon after the shock. Both left-lateral (LL) and right-lateral (RL) steps were observed. A rectangular dislocation in an elastic half-space was used to model the coseismic fault offset at the hypocenter. For a model based on the preliminary focal mechanism, the predicted changes in static shear stress on the plane of the San Andreas fault agreed in sense (LL or RL) with the observed slip directions at all seven meters; for a model based on a refined focal mechanism, six of the seven meters showed the correct sense of motion. Two possible explanations for such coseismic and postseismic steps are (1) that slip was triggered by the earthquake shaking or (2) that slip occurred in response to the changes in static stress fields accompanying the earthquake. In the Tres Pinos example, the observed steps may have been of both the triggered and responsive kinds. A second example is provided by the 2 May 1983 magnitude 6.7 Coalinga earthquake, which profoundly altered slip rates at five creepmeters on the San Andreas fault for a period of months to years. The XMM1 meter 9 km northwest of Parkfield, California recorded LL creep for more than a year after the event. To simulate the temporal behavior of the XMM1 meter and to view the stress perturbation provided by the Coalinga earthquake in the context of steady-state deformation on the San Andreas fault, a simple time-evolving dislocation model was constructed. The model was driven by a single long vertical dislocation below 15 km in depth, that was forced to slip at 35 mm/yr in a RL sense. A dislocation element placed in the seismogenic layer under XMM1 was given a finite breaking strength of sufficient magnitude to produce a Parkfield-like earthquake every 22 years. When stress changes equivalent to a Coalinga earthquake were superposed on the model running in a steady state mode, the effect was to make a segment under XMM1, that could slip in a linear viscous fashion, creep LL and to delay the onset of the next Parkfield-like earthquake by a year or more. If static stress changes imposed by earthquakes off the San Andreas can indeed advance or delay earthquakes on the San Andreas by months or years, then such changes must be considered in intermediate-term prediction efforts. ?? 1988 Birkha??user Verlag.

Measurement of process-dependent material properties of pharmaceutical solids by nanoindentation.

PubMed

Liao, Xiangmin; Wiedmann, Timothy Scott

2005-01-01

The purpose of this work was to evaluate nanoindentation as a means to characterize the material properties of pharmaceutical solids. X-ray diffraction of potassium chloride and acetaminophen showed that samples prepared by cooling a melt to a crystalline sample as opposed to slow recrystallization had the same crystal structure. With analysis of the force-displacement curves, the KCl quenched samples had a hardness that was 10 times higher than the recrystallized KCl, while acetaminophen quenched samples were 25% harder than the recrystallized samples. The elastic moduli of the quenched samples were also much greater than that observed for the recrystallized samples. Although the elasticity was independent of load, the hardness increased with load for acetaminophen. With each sample, the flow at constant load increased with applied load. Etching patterns obtained by atomic force microscopy showed that the KCl quenched sample had a higher dislocation density than the recrystallized sample, although there was no evident difference in the acetaminophen samples. Overall, the differences in the observed sample properties may be related to the dislocation density. Thus, nanoindentation has been shown to be a sensitive method for determining a processed-induced change in the hardness, creep, and elasticity of KCl and acetaminophen. (c) 2004 Wiley-Liss, Inc.

Intermediate states and structure evolution in the free-falling process of the dislocation in graphene

NASA Astrophysics Data System (ADS)

Wang, Shaofeng; Yao, Yin; Bai, Jianhui; Wang, Rui

2017-04-01

This paper investigated the intermediate states and the structure evolution of the dislocation in graphene when it falls freely from the saddle point of the energy landscape. The O-type dislocation, an unstable equilibrium structure located at the saddle point, is obtained from the lattice theory of the dislocation structure and improved by the ab initio calculation to take the buckling into account. Intermediate states along the kinetics path in the falling process are obtained from the ab initio simulation. Once the dislocation falls from the saddle point to the energy valley, this O-type dislocation transforms into the stable structure that is referred to as the B-type dislocation, and in the meantime, it moves a distance that equals half a Burgers vector. The structure evolution and the energy variation in the free-falling process are revealed explicitly. It is observed that rather than smooth change, a platform manifests itself in the energy curve. The unusual behaviour in the energy curve is mainly originated from symmetry breaking and bond formation in the dislocation core. The results can provide deep insight in the mechanism of the brittle feature of covalent materials.

On the Morphological Adaptations of the Thorax of Sphagniana sphagnorum (Ensifera, Tettigoniidae) that Enable Complex Stridulation via the Forewings

NASA Astrophysics Data System (ADS)

Gutierrez, Sara-Jane

Males of the flightless tettigoniid Sphagniana sphagnorum generate a complex two-spectrum signal via stridulation, using acoustically adapted forewings (tegmina). Complex-wave rapidly decaying pulses in trains, made upon the distal half of the file, have a broad-band (17-25 kHz) spectrum; short, spaced, ultrasonic and strongly sinusoidal 35 kHz pulses are emitted as trains over the file's proximal half. I studied how S. sphagnorum tegminal morphology enables the production of these two different spectra with the same forewings. The storage of elastic energy in the scraper is hypothesized to play a key role in driving the scraper over the file at a necessary tooth-contact rate. Scraper morphology indicates structural adaptations enabling storage of elastic energy. Wax loading tested the role of scraper-pit flexibility in scraper movement. Sound levels in resonant spectra were more substantially affected than those associated with broadband generation. Morphology and alignment of pteralia during tegmino-tegminal stridulation is also investigated.

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

Coseismic Gravity and Displacement Signatures Induced by the 2013 Okhotsk Mw8.3 Earthquake.

PubMed

Zhang, Guoqing; Shen, Wenbin; Xu, Changyi; Zhu, Yiqing

2016-09-01

In this study, Gravity Recovery and Climate Experiment (GRACE) RL05 data from January 2003 to October 2014 were used to extract the coseismic gravity changes induced by the 24 May 2013 Okhotsk Mw8.3 deep-focus earthquake using the difference and least square fitting methods. The gravity changes obtained from GRACE data agreed well with those from dislocation theory in both magnitude and spatial pattern. Positive and negative gravity changes appeared on both sides of the epicenter. The positive signature appeared on the western side, and the peak value was approximately 0.4 microgal (1 microgal = 10(-8) m/s²), whereas on the eastern side, the gravity signature was negative, and the peak value was approximately -1.1 microgal. It demonstrates that deep-focus earthquakes Mw ≤ 8.5 are detectable by GRACE observations. Moreover, the coseismic displacements of 20 Global Positioning System (GPS) stations on the Earth's surface were simulated using an elastic dislocation theory in a spherical earth model, and the results are consistent with the GPS results, especially the near-field results. We also estimated the gravity contributions from the coseismic vertical displacements and density changes, analyzed the proportion of these two gravity change factors (based on an elastic dislocation theory in a spherical earth model) in this deep-focus earthquake. The gravity effect from vertical displacement is four times larger than that caused by density redistribution.

Experimental investigation of grain boundaries misorientations and nano twinning induced strengthening on addition of silicon carbide in pulse electrodeposited nickel tungsten composite coating

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

Rahman, O.S. Asiq; Wasekar, Nitin P.; Sundararajan, G.

Nanoindentation was performed on silicon carbide (SiC) reinforced pulse electrodeposited nickel-tungsten (Ni-W) composite coating. Addition of 5 vol.% of SiC in Ni-W coating increased the hardness from 10.31 ± 0.65 GPa to 14.32 ± 0.63 GPa and elastic modulus from 119.74 ± 3.15 GPa to 139.26 ± 2.09 GPa. Increased hardness and elastic modulus directly translates to the improved strengthening in the coating. An experimental investigation of strengthening mechanism was carried out in Ni-W-5 vol.% SiC alloy. Two simultaneous phenomena viz. grain refinement and increased internal strain was observed, which increased the dislocation density from 5.51 × 10{sup 18} m{supmore » −2} to 1.346 × 10{sup 19} m{sup −2} on reinforcement of 5 vol.% of SiC in Ni-W coating. Increased dislocation density promoted the formation of grain boundary misorientations and nano twinning. Low angle grain boundary, high angle grain boundary and nano twinning were identified using high resolution transmission electron microscope (HR-TEM) image and their role in strengthening mechanism was discussed in details. - Highlights: • SiC reinforced pulse electrodeposition Ni-W coating was deposited on steel. • Nanoindentation showed the increased mechanical properties on addition of SiC. • Grain refinement and increased internal strain was observed in Ni-W-SiC coating. • Dislocation density increased on reinforcement of SiC in Ni-W coating. • Increased dislocation density triggered grain boundary misorientation and twinning.« less

Surface stress mediated image force and torque on an edge dislocation

NASA Astrophysics Data System (ADS)

Raghavendra, R. M.; Divya, Iyer, Ganesh; Kumar, Arun; Subramaniam, Anandh

2018-07-01

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the 'climb image force' symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive 'climb geometry', arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth's idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.

Biophysical dynamics in disorderly environments.

PubMed

Nelson, David R

2012-01-01

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

Waveguiding by a locally resonant metasurface

NASA Astrophysics Data System (ADS)

Maznev, A. A.; Gusev, V. E.

2015-09-01

Dispersion relations for acoustic and electromagnetic waves guided by resonant inclusions located at the surface of an elastic solid or an interface between two media are analyzed theoretically within the effective medium approximation. Oscillators on the surface of an elastic half-space are shown to give rise to a Love-type surface acoustic wave only existing below the oscillator frequency. A simple dispersion relation governing this system is shown to also hold for electromagnetic waves guided by Lorentz oscillators at an interface between two media with equal dielectric constants. Different kinds of behavior of the dispersion of the resonantly guided mode are identified, depending on whether the bulk wave in the absence of oscillators can propagate along the surface or interface.

Numerical investigation of implementation of air-earth boundary by acoustic-elastic boundary approach

USGS Publications Warehouse

Xu, Y.; Xia, J.; Miller, R.D.

2007-01-01

The need for incorporating the traction-free condition at the air-earth boundary for finite-difference modeling of seismic wave propagation has been discussed widely. A new implementation has been developed for simulating elastic wave propagation in which the free-surface condition is replaced by an explicit acoustic-elastic boundary. Detailed comparisons of seismograms with different implementations for the air-earth boundary were undertaken using the (2,2) (the finite-difference operators are second order in time and space) and the (2,6) (second order in time and sixth order in space) standard staggered-grid (SSG) schemes. Methods used in these comparisons to define the air-earth boundary included the stress image method (SIM), the heterogeneous approach, the scheme of modifying material properties based on transversely isotropic medium approach, the acoustic-elastic boundary approach, and an analytical approach. The method proposed achieves the same or higher accuracy of modeled body waves relative to the SIM. Rayleigh waves calculated using the explicit acoustic-elastic boundary approach differ slightly from those calculated using the SIM. Numerical results indicate that when using the (2,2) SSG scheme for SIM and our new method, a spatial step of 16 points per minimum wavelength is sufficient to achieve 90% accuracy; 32 points per minimum wavelength achieves 95% accuracy in modeled Rayleigh waves. When using the (2,6) SSG scheme for the two methods, a spatial step of eight points per minimum wavelength achieves 95% accuracy in modeled Rayleigh waves. Our proposed method is physically reasonable and, based on dispersive analysis of simulated seismographs from a layered half-space model, is highly accurate. As a bonus, our proposed method is easy to program and slightly faster than the SIM. ?? 2007 Society of Exploration Geophysicists.

Strain-Engineered Nanomembrane Substrates for Si/SiGe Heterostructures

NASA Astrophysics Data System (ADS)

Sookchoo, Pornsatit

For Group IV materials, including silicon, germanium, and their alloys, although they are most widely used in the electronics industry, the development of photonic devices is hindered by indirect band gaps and large lattice mismatches. Thus, any heterostructures involving Si and Ge (4.17% lattice mismatch) are subject to plastic relaxation by dislocation formation in the heterolayers. These defects make many devices impossible and at minimum degrade the performance of those that are possible. Fabrication using elastic strain engineering in Si/SiGe nanomembranes (NMs) is an approach that is showing promise to overcome this limitation. A key advantage of such NM substrates over conventional bulk substrates is that they are relaxed elastically and therefore free of dislocations that occur in the conventional fabrication of SiGe substrates, which are transferred to the epilayers and roughen film interfaces. In this thesis, I use the strain engineering of NMs or NM stacks to fabricate substrates for the epitaxial growth of many repeating units of Si/SiGe heterostructure, known as a 'superlattice', by the elastic strain sharing of a few periods of the repeating unit of Si/SiGe heterolayers or a Si/SiGe/Si tri-layer structure. In both cases, the process begins with the epitaxial growth of Si/SiGe heterolayers on silicon-on-insulator (SOI), where each layer thickness is designed to stay below its kinetic critical thickness for the formation of dislocations. The heterostructure NMs are then released by etching of the SiO2 sacrificial layer in hydrofluoric acid. The resulting freestanding NMs are elastically relaxed by the sharing of strain between the heterolayers. The NMs can be bonded in-place to their host substrate or transferred to another host substrate for the subsequent growth of many periods of superlattice film. The magnitude of strain sharing in these freestanding NMs is influenced by their layer thicknesses and layer compositions. As illustrated in this dissertation, strain-engineering of such NMs can provide the enabling basis for improved Group IV optoelectronic devices.

Coupled DDD-FEM modeling on the mechanical behavior of microlayered metallic multilayer film at elevated temperature

NASA Astrophysics Data System (ADS)

Huang, Minsheng; Li, Zhenhuan

2015-12-01

To investigate the mechanical behavior of the microlayered metallic thin films (MMMFs) at elevated temperature, an enhanced discrete-continuous model (DCM), which couples rather than superposes the two-dimensional climb/glide-enabled discrete dislocation dynamics (2D-DDD) with the linearly elastic finite element method (FEM), is developed in this study. In the present coupling scheme, two especial treatments are made. One is to solve how the plastic strain captured by the DDD module is transferred properly to the FEM module as an eigen-strain; the other is to answer how the stress field computationally obtained by the FEM module is transferred accurately to the DDD module to drive those discrete dislocations moving correctly. With these two especial treatments, the interactions between adjacent dislocations and between dislocation pile-ups and inter-phase boundaries (IBs), which are crucial to the strengthening effect in MMMFs, are carefully taken into account. After verified by comparing the computationally predicted results with the theoretical solutions for a dislocation residing in a homogeneous material and nearby a bi-material interface, this 2D-DDD/FEM coupling scheme is used to model the tensile mechanical behaviors of MMMFs at elevated temperature. The strengthening mechanism of MMMFs and the layer thickness effect are studied in detail, with special attentions to the influence of dislocation climb on them.

Dislocation-mediated growth of bacterial cell walls

PubMed Central

Amir, Ariel; Nelson, David R.

2012-01-01

Recent experiments have illuminated a remarkable growth mechanism of rod-shaped bacteria: proteins associated with cell wall extension move at constant velocity in circles oriented approximately along the cell circumference [Garner EC, et al., (2011) Science 333:222–225], [Domínguez-Escobar J, et al. (2011) Science 333:225–228], [van Teeffelen S, et al. (2011) PNAS 108:15822–15827]. We view these as dislocations in the partially ordered peptidoglycan structure, activated by glycan strand extension machinery, and study theoretically the dynamics of these interacting defects on the surface of a cylinder. Generation and motion of these interacting defects lead to surprising effects arising from the cylindrical geometry, with important implications for growth. We also discuss how long range elastic interactions and turgor pressure affect the dynamics of the fraction of actively moving dislocations in the bacterial cell wall. PMID:22660931

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

Chen, Tianyi; Tan, Lizhen; Lu, Zizhe

Instrumented nanoindentation was used in this paper to investigate the hardness, elastic modulus, and creep behavior of an austenitic Fe-20Cr-25Ni model alloy at room temperature, with the indented grain orientation being the variant. The samples indented close to the {111} surfaces exhibited the highest hardness and modulus. However, nanoindentation creep tests showed the greatest tendency for creep in the {111} indented samples, compared with the samples indented close to the {001} and {101} surfaces. Scanning electron microscopy and cross-sectional transmission electron microscopy revealed slip bands and dislocations in all samples. The slip band patterns on the indented surfaces were influencedmore » by the grain orientations. Deformation twinning was observed only under the {001} indented surfaces. Finally, microstructural analysis and molecular dynamics modeling correlated the anisotropic nanoindentation-creep behavior with the different dislocation substructures formed during indentation, which resulted from the dislocation reactions of certain active slip systems that are determined by the indented grain orientations.« less

Spin-polarized structural, elastic, electronic and magnetic properties of half-metallic ferromagnetism in V-doped ZnSe

NASA Astrophysics Data System (ADS)

Monir, M. El Amine.; Baltache, H.; Murtaza, G.; Khenata, R.; Ahmed, Waleed K.; Bouhemadou, A.; Omran, S. Bin; Seddik, T.

2015-01-01

Based on first principles spin-polarized density functional theory, the structural, elastic electronic and magnetic properties of Zn1-xVxSe (for x=0.25, 0.50, 0.75) in zinc blende structure have been studied. The investigation was done using the full-potential augmented plane wave method as implemented in WIEN2k code. The exchange-correlation potential was treated with the generalized gradient approximation PBE-GGA for the structural and elastic properties. Moreover, the PBE-GGA+U approximation (where U is the Hubbard correlation terms) is employed to treat the "d" electrons properly. A comparative study between the band structures, electronic structures, total and partial densities of states and local moments calculated within both GGA and GGA+U schemes is presented. The analysis of spin-polarized band structure and density of states shows the half-metallic ferromagnetic character and are also used to determine s(p)-d exchange constants N0α (conduction band) and N0β (valence band) due to Se(4p)-V(3d) hybridization. It has been clearly evidence that the magnetic moment of V is reduced from its free space change value of 3 μB and the minor atomic magnetic moment on Zn and Se are generated.

Benchmark solution for vibrations from a moving point source in a tunnel embedded in a half-space

NASA Astrophysics Data System (ADS)

Yuan, Zonghao; Boström, Anders; Cai, Yuanqiang

2017-01-01

A closed-form semi-analytical solution for the vibrations due to a moving point load in a tunnel embedded in a half-space is given in this paper. The tunnel is modelled as an elastic hollow cylinder and the ground surrounding the tunnel as a linear viscoelastic material. The total wave field in the half-space with a cylindrical hole is represented by outgoing cylindrical waves and down-going plane waves. To apply the boundary conditions on the ground surface and at the tunnel-soil interface, the transformation properties between the plane and cylindrical wave functions are employed. The proposed solution can predict the ground vibration from an underground railway tunnel of circular cross-section with a reasonable computational effort and can serve as a benchmark solution for other computational methods. Numerical results for the ground vibrations on the free surface due to a moving constant load and a moving harmonic load applied at the tunnel invert are presented for different load velocities and excitation frequencies. It is found that Rayleigh waves play an important role in the ground vibrations from a shallow tunnel.

Pseudospectral modeling and dispersion analysis of Rayleigh waves in viscoelastic media

USGS Publications Warehouse

Zhang, K.; Luo, Y.; Xia, J.; Chen, C.

2011-01-01

Multichannel Analysis of Surface Waves (MASW) is one of the most widely used techniques in environmental and engineering geophysics to determine shear-wave velocities and dynamic properties, which is based on the elastic layered system theory. Wave propagation in the Earth, however, has been recognized as viscoelastic and the propagation of Rayleigh waves presents substantial differences in viscoelastic media as compared with elastic media. Therefore, it is necessary to carry out numerical simulation and dispersion analysis of Rayleigh waves in viscoelastic media to better understand Rayleigh-wave behaviors in the real world. We apply a pseudospectral method to the calculation of the spatial derivatives using a Chebyshev difference operator in the vertical direction and a Fourier difference operator in the horizontal direction based on the velocity-stress elastodynamic equations and relations of linear viscoelastic solids. This approach stretches the spatial discrete grid to have a minimum grid size near the free surface so that high accuracy and resolution are achieved at the free surface, which allows an effective incorporation of the free surface boundary conditions since the Chebyshev method is nonperiodic. We first use an elastic homogeneous half-space model to demonstrate the accuracy of the pseudospectral method comparing with the analytical solution, and verify the correctness of the numerical modeling results for a viscoelastic half-space comparing the phase velocities of Rayleigh wave between the theoretical values and the dispersive image generated by high-resolution linear Radon transform. We then simulate three types of two-layer models to analyze dispersive-energy characteristics for near-surface applications. Results demonstrate that the phase velocity of Rayleigh waves in viscoelastic media is relatively higher than in elastic media and the fundamental mode increases by 10-16% when the frequency is above 10. Hz due to the velocity dispersion of P and S waves. ?? 2011 Elsevier Ltd.

Capping spheres with scarry crystals: Organizing principles of multi-dislocation, ground-state patterns

NASA Astrophysics Data System (ADS)

Azadi, Amir; Grason, Gregory M.

2014-03-01

Predicting the ground state ordering of curved crystals remains an unsolved, century-old challenge, beginning with the classic Thomson problem to more recent studies of particle-coated droplets. We study the structural features and underlying principles of multi-dislocation ground states of a crystalline cap adhered to a spherical substrate. In the continuum limit, vanishing lattice spacing, a --> 0 , dislocations proliferate and we show that ground states approach a characteristic sequence of patterns of n-fold radial grain boundary ``scars,'' extending from the boundary and terminating in the bulk. A combination of numerical and asymptotic analysis reveals that energetic hierarchy gives rise to a structural hierarchy, whereby the number of dislocation and scars diverge as a --> 0 while the scar length and number of dislocations per scar become remarkably independent of lattice spacing. We show the that structural hierarchy remains intact when n-fold symmetry becomes unstable to polydispersed forked-scar morphologies. We expect this analysis to resolve previously open questions about the optimal symmetries of dislocation patterns in Thomson-like problems, both with and without excess 5-fold defects.

The strength and dislocation microstructure evolution in superalloy microcrystals

NASA Astrophysics Data System (ADS)

Hussein, Ahmed M.; Rao, Satish I.; Uchic, Michael D.; Parthasarathay, Triplicane A.; El-Awady, Jaafar A.

2017-02-01

In this work, the evolution of the dislocations microstructure in single crystal two-phase superalloy microcrystals under monotonic loading has been studied using the three-dimensional discrete dislocation dynamics (DDD) method. The DDD framework has been extended to properly handle the collective behavior of dislocations and their interactions with large collections of arbitrary shaped precipitates. Few constraints are imposed on the initial distribution of the dislocations or the precipitates, and the extended DDD framework can support experimentally-obtained precipitate geometries. Full tracking of the creation and destruction of anti-phase boundaries (APB) is accounted for. The effects of the precipitate volume fraction, APB energy, precipitate size, and crystal size on the deformation of superalloy microcrystals have been quantified. Correlations between the precipitate microstructure and the dominant deformation features, such as dislocation looping versus precipitate shearing, are also discussed. It is shown that the mechanical strength is independent of the crystal size, increases linearly with increasing the volume fraction, follows a near square-root relationship with the APB energy and an inverse square-root relationship with the precipitate size. Finally, the flow strength in simulations having initial dislocation pair sources show a flow strength that is about one half of that predicted from simulations starting with single dislocation sources. The method developed can be used, with minimal extensions, to simulate dislocation microstructure evolution in general multiphase materials.

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.

Forearc kinematics in obliquely convergent margins: Examples from Nicaragua and the northern Lesser Antilles

NASA Astrophysics Data System (ADS)

Turner, Henry L., III

In this study, I use surface velocities derived from GPS geodesy, elastic half-space dislocation models, and modeled Coulomb stress changes to investigate deformation in the over-riding plate at obliquely convergent margins at the leading and trailing edges of the Caribbean plate. The two principal study areas are western Nicaragua, where the Cocos plate subducts beneath the Caribbean plate, and the northern Lesser Antilles, where the North American plate subducts beneath the Caribbean plate. In Nicaragua, plate convergence is rapid at 84 mm yr1 with a small angle of obliquity of 10° along a slightly concave portion of the Middle America Trench. GPS velocities for the period from 2000 to 2004 from sites located in the Nicaraguan forearc confirmed forearc sliver motion on the order of ˜14 mm yr1 in close agreement with the value predicted by DeMets (2001). These results are presented here in Chapter 3 and were reported in Geophysical Research Letters (Turner et al., 2007). GPS observations made on sites located in the interior and on the eastern coast of Nicaragua during the same time period were combined with new data from eastern Honduras to help better constrain estimates of rigid Caribbean plate motion (DeMets et al., 2007). Slip approaching the plate convergence rate along the Nicaraguan and El Salvadoran sections of the Middle America Trench was quantitatively demonstrated by finite element modeling of this section of the plate interface using GPS velocities from our Nicaraguan network together with velocities from El Salvador and Honduras as model constraints (Correa-Mora, 2009). The MW 6.9 earthquake that ruptured the seismogenic zone offshore Nicaragua on October 9, 2004 resulted in coseismic displacements and post-seismic motion at GPS sites in the central part of the Nicaraguan forearc that currently prevent extension of interseismic time-series in this region. An elastic half-space dislocation model was used to estimate coseismic displacements at these sites and to qualitatively examine the observed post-seismic motion. Coseismic and post-seismic motion in this portion of the forearc indicate that long-term motion of the forearc across the earthquake cycle may proceed in a zig-zag pattern, which may contribute to east-west extension as observed in the Managua graben. Sites to the northwest and southeast were not substantially effected by the earthquake, and longer duration time-series (˜7 yrs) from these areas support the earlier estimates of forearc sliver motion. Results from our analysis of Nicaraguan GPS time-series from 2004--2008 and our earthquake modeling efforts are discussed in Chapter 4 and will form the basis of an article to be submitted for publication. In the northern Lesser Antilles, plate convergence is slow at ˜2 cm yr1, and obliquity varies substantially along the convex Lesser Antilles Subduction Zone. In chapter 5, I present GPS velocities derived from a decade of observations on sites in the northern Lesser Antilles and Virgin Islands. The velocities support forearc sliver motion on the order of ˜2--3 mm yr1 consistent with the lower value estimated by Lopez et al. (2006), indicating convergence in the northern region is only partially partitioned. GPS velocities in the northern Lesser Antilles show considerable variation between islands, suggesting possible independent block motion and internal deformation within the forearc region, however, velocity uncertainties for some sites remain high and may reflect the low signal-to-noise ratio of our residual velocities for the region. The lack of a substantial arc-normal component of shortening is similar to that seen in Nicaragua and may indicate a small amount of locking along the subduction interface with forearc sliver motion being driven from a more fully locked region south of Guadeloupe where the Barracuda and Tiburon aseismic ridges impinge on the subduction zone. (Abstract shortened by UMI.)

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

Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation.

PubMed

Yamakov, V; Wolf, D; Phillpot, S R; Mukherjee, A K; Gleiter, H

2004-01-01

Molecular-dynamics simulations have recently been used to elucidate the transition with decreasing grain size from a dislocation-based to a grain-boundary-based deformation mechanism in nanocrystalline f.c.c. metals. This transition in the deformation mechanism results in a maximum yield strength at a grain size (the 'strongest size') that depends strongly on the stacking-fault energy, the elastic properties of the metal, and the magnitude of the applied stress. Here, by exploring the role of the stacking-fault energy in this crossover, we elucidate how the size of the extended dislocations nucleated from the grain boundaries affects the mechanical behaviour. Building on the fundamental physics of deformation as exposed by these simulations, we propose a two-dimensional stress-grain size deformation-mechanism map for the mechanical behaviour of nanocrystalline f.c.c. metals at low temperature. The map captures this transition in both the deformation mechanism and the related mechanical behaviour with decreasing grain size, as well as its dependence on the stacking-fault energy, the elastic properties of the material, and the applied stress level.

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.

Ground Vibration Generated by a Load Moving Along a Railway Track

NASA Astrophysics Data System (ADS)

SHENG, X.; JONES, C. J. C.; PETYT, M.

1999-11-01

The propagation of vibration generated by a harmonic or a constant load moving along a layered beam resting on the layered half-space is investigated theoretically in this paper. The solution to this problem can be used to study the ground vibration generated by the motion of a train axle load on a railway track. In this application, the ground is modelled as a number of parallel viscoelastic layers overlying an elastic half-space or a rigid foundation. The track, including the rails, rail pad, sleepers and ballast, is modelled as an infinite, layered beam structure. The modal nature of propagation in the ground for a chosen set of ground parameters is discussed and the results of the model are presented showing the characteristics of the vibration generated by a constant load and an oscillatory load at speeds below, near to, and above the lowest ground wave speed.

A Fourier-based total-field/scattered-field technique for three-dimensional broadband simulations of elastic targets near a water-sand interface.

PubMed

Shao, Yu; Wang, Shumin

2016-12-01

The numerical simulation of acoustic scattering from elastic objects near a water-sand interface is critical to underwater target identification. Frequency-domain methods are computationally expensive, especially for large-scale broadband problems. A numerical technique is proposed to enable the efficient use of finite-difference time-domain method for broadband simulations. By incorporating a total-field/scattered-field boundary, the simulation domain is restricted inside a tightly bounded region. The incident field is further synthesized by the Fourier transform for both subcritical and supercritical incidences. Finally, the scattered far field is computed using a half-space Green's function. Numerical examples are further provided to demonstrate the accuracy and efficiency of the proposed technique.

Coseismic Gravity and Displacement Signatures Induced by the 2013 Okhotsk Mw8.3 Earthquake

PubMed Central

Zhang, Guoqing; Shen, Wenbin; Xu, Changyi; Zhu, Yiqing

2016-01-01

In this study, Gravity Recovery and Climate Experiment (GRACE) RL05 data from January 2003 to October 2014 were used to extract the coseismic gravity changes induced by the 24 May 2013 Okhotsk Mw8.3 deep-focus earthquake using the difference and least square fitting methods. The gravity changes obtained from GRACE data agreed well with those from dislocation theory in both magnitude and spatial pattern. Positive and negative gravity changes appeared on both sides of the epicenter. The positive signature appeared on the western side, and the peak value was approximately 0.4 microgal (1 microgal = 10−8 m/s2), whereas on the eastern side, the gravity signature was negative, and the peak value was approximately −1.1 microgal. It demonstrates that deep-focus earthquakes Mw ≤ 8.5 are detectable by GRACE observations. Moreover, the coseismic displacements of 20 Global Positioning System (GPS) stations on the Earth’s surface were simulated using an elastic dislocation theory in a spherical earth model, and the results are consistent with the GPS results, especially the near-field results. We also estimated the gravity contributions from the coseismic vertical displacements and density changes, analyzed the proportion of these two gravity change factors (based on an elastic dislocation theory in a spherical earth model) in this deep-focus earthquake. The gravity effect from vertical displacement is four times larger than that caused by density redistribution. PMID:27598158

Fracton-Elasticity Duality

NASA Astrophysics Data System (ADS)

Pretko, Michael; Radzihovsky, Leo

2018-05-01

Motivated by recent studies of fractons, we demonstrate that elasticity theory of a two-dimensional quantum crystal is dual to a fracton tensor gauge theory, providing a concrete manifestation of the fracton phenomenon in an ordinary solid. The topological defects of elasticity theory map onto charges of the tensor gauge theory, with disclinations and dislocations corresponding to fractons and dipoles, respectively. The transverse and longitudinal phonons of crystals map onto the two gapless gauge modes of the gauge theory. The restricted dynamics of fractons matches with constraints on the mobility of lattice defects. The duality leads to numerous predictions for phases and phase transitions of the fracton system, such as the existence of gauge theory counterparts to the (commensurate) crystal, supersolid, hexatic, and isotropic fluid phases of elasticity theory. Extensions of this duality to generalized elasticity theories provide a route to the discovery of new fracton models. As a further consequence, the duality implies that fracton phases are relevant to the study of interacting topological crystalline insulators.

Recombination properties of dislocations in GaN

NASA Astrophysics Data System (ADS)

Yakimov, Eugene B.; Polyakov, Alexander Y.; Lee, In-Hwan; Pearton, Stephen J.

2018-04-01

The recombination activity of threading dislocations in n-GaN with different dislocation densities and different doping levels was studied using electron beam induced current (EBIC). The recombination velocity on a dislocation, also known as the dislocation recombination strength, was calculated. The results suggest that dislocations in n-GaN giving contrast in EBIC are charged and surrounded by a space charge region, as evidenced by the observed dependence of dislocation recombination strength on dopant concentration. For moderate (below ˜108 cm-2) dislocation densities, these defects do not primarily determine the average diffusion length of nonequilibrium charge carriers, although locally, dislocations are efficient recombination sites. In general, it is observed that the effect of the growth method [standard metalorganic chemical vapor deposition (MOCVD), epitaxial lateral overgrowth versions of MOCVD, and hydride vapor phase epitaxy] on the recombination activity of dislocations is not very pronounced, although the average diffusion lengths can widely differ for various samples. The glide of basal plane dislocations at room temperature promoted by low energy electron irradiation does not significantly change the recombination properties of dislocations.

An examination of the concept of driving point receptance

NASA Astrophysics Data System (ADS)

Sheng, X.; He, Y.; Zhong, T.

2018-04-01

In the field of vibration, driving point receptance is a well-established and widely applied concept. However, as demonstrated in this paper, when a driving point receptance is calculated using the finite element (FE) method with solid elements, it does not converge as the FE mesh becomes finer, suggesting that there is a singularity. Hence, the concept of driving point receptance deserves a rigorous examination. In this paper, it is firstly shown that, for a point harmonic force applied on the surface of an elastic half-space, the Boussinesq formula can be applied to calculate the displacement amplitude of the surface if the response point is sufficiently close to the load. Secondly, by applying the Betti reciprocal theorem, it is shown that the displacement of an elastic body near a point harmonic force can be decomposed into two parts, with the first one being the displacement of an elastic half-space. This decomposition is useful, since it provides a solid basis for the introduction of a contact spring between a wheel and a rail in interaction. However, according to the Boussinesq formula, this decomposition also leads to the conclusion that a driving point receptance is infinite (singular), and would be undefinable. Nevertheless, driving point receptances have been calculated using different methods. Since the singularity identified in this paper was not appreciated, no account was given to the singularity in these calculations. Thus, the validity of these calculation methods must be examined. This constructs the third part of the paper. As the final development of the paper, the above decomposition is utilised to define and determine driving point receptances required for dealing with wheel/rail interactions.

Observations and models of Co- and Post-Seismic Deformation Due to the 2015 Mw 7.8 Gorkha (Nepal) Earthquake

NASA Astrophysics Data System (ADS)

Wang, K.; Fialko, Y. A.

2016-12-01

The 2015 Mw 7.8 Gorkha (Nepal) earthquake occurred along the central Himalayan arc, a convergent boundary between India and Eurasian plates. We use space geodetic data to investigate co- and post-seismic deformation due to the Gorkha earthquake. Because the epicentral area of the earthquake is characterized by strong variations in surface relief and material properties, we developed finite element models that explicitly account for topography and 3-D elastic structure. Compared with slip models obtained using homogenous elastic half-space models, the model including elastic heterogeneity and topography exhibits greater (up to 10%) slip amplitude. GPS observations spanning more than 1 year following the earthquake show overall southward movement and uplift after the Gorkha earthquake, qualitatively similar to the coseismic deformation pattern. Kinematic inversions of GPS data, and forward modeling of stress-driven creep indicate that the observed post-seismic transient is consistent with afterslip on a down-dip extention of the seismic rupture. The Main Himalayan Thrust (MHT) has negligible creep updip of the 2015 rupture, reiterating a future seismic hazard. A poro-elastic rebound may contribute to the observed uplift southward motion, but the predicted surface displacements are small (on the order of 1 cm or less). We also tested a wide range of visco-elastic relaxation models, including 1-D and 3-D variations in the viscosity structure. All tested visco-elastic models predict the opposite signs of horizontal and vertical displacements compared to those observed. Available surface deformation data allow one to rule out a model of a low viscosity channel beneath Tibetan Plateau invoked to explain variations in surface relief at the plateau margins.

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

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

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

DOE PAGES

Lawrence, Samantha K.; Somerday, Brian P.; Ingraham, Mathew Duffy; ...

2018-04-11

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases ~22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases ~20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yieldingmore » in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.« less

Probing the Effect of Hydrogen on Elastic Properties and Plastic Deformation in Nickel Using Nanoindentation and Ultrasonic Methods

NASA Astrophysics Data System (ADS)

Lawrence, S. K.; Somerday, B. P.; Ingraham, M. D.; Bahr, D. F.

2018-04-01

Hydrogen effects on small-volume plasticity and elastic stiffness constants are investigated with nanoindentation of Ni-201 and sonic velocity measurements of bulk Ni single crystals. Elastic modulus of Ni-201, calculated from indentation data, decreases 22% after hydrogen charging. This substantial decrease is independently confirmed by sonic velocity measurements of Ni single crystals; c 44 decreases 20% after hydrogen exposure. Furthermore, clear hydrogen-deformation interactions are observed. The maximum shear stress required to nucleate dislocations in hydrogen-charged Ni-201 is markedly lower than in as-annealed material, driven by hydrogen-reduced shear modulus. Additionally, a larger number of depth excursions are detected prior to general yielding in hydrogen-charged material, suggesting cross-slip restriction. Together, these data reveal a direct correlation between hydrogen-affected elastic properties and plastic deformation in Ni alloys.

Thermoelastic stress in oceanic lithosphere due to hotspot reheating

NASA Technical Reports Server (NTRS)

Zhu, Anning; Wiens, Douglas A.

1991-01-01

The effect of hotspot reheating on the intraplate stress field is investigated by modeling the three-dimensional thermal stress field produced by nonuniform temperature changes in an elastic plate. Temperature perturbations are calculated assuming that the lithosphere is heated by a source in the lower part of the thermal lithosphere. A thermal stress model for the elastic lithosphere is calculated by superposing the stress fields resulting from temperature changes in small individual elements. The stress in an elastic plate resulting from a temperature change in each small element is expressed as an infinite series, wherein each term is a source or an image modified from a closed-from half-space solution. The thermal stress solution is applied to midplate swells in oceanic lithosphere with various thermal structures and plate velocities. The results predict a stress field with a maximum deviatoric stress on the order of 100 MPa covering a broad area around the hotspot plume. The predicted principal stress orientations show a complicated geographical pattern, with horizontal extension perpendicular to the hotspot track at shallow depths and compression along the track near the bottom of the elastic lithosphere.

Dislocation dynamics simulations of plasticity at small scales

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

Zhou, Caizhi

2010-01-01

As metallic structures and devices are being created on a dimension comparable to the length scales of the underlying dislocation microstructures, the mechanical properties of them change drastically. Since such small structures are increasingly common in modern technologies, there is an emergent need to understand the critical roles of elasticity, plasticity, and fracture in small structures. Dislocation dynamics (DD) simulations, in which the dislocations are the simulated entities, offer a way to extend length scales beyond those of atomistic simulations and the results from DD simulations can be directly compared with the micromechanical tests. The primary objective of this researchmore » is to use 3-D DD simulations to study the plastic deformation of nano- and micro-scale materials and understand the correlation between dislocation motion, interactions and the mechanical response. Specifically, to identify what critical events (i.e., dislocation multiplication, cross-slip, storage, nucleation, junction and dipole formation, pinning etc.) determine the deformation response and how these change from bulk behavior as the system decreases in size and correlate and improve our current knowledge of bulk plasticity with the knowledge gained from the direct observations of small-scale plasticity. Our simulation results on single crystal micropillars and polycrystalline thin films can march the experiment results well and capture the essential features in small-scale plasticity. Furthermore, several simple and accurate models have been developed following our simulation results and can reasonably predict the plastic behavior of small scale materials.« less

d-Neighborhood system and generalized F-contraction in dislocated metric space.

PubMed

Kumari, P Sumati; Zoto, Kastriot; Panthi, Dinesh

2015-01-01

This paper, gives an answer for the Question 1.1 posed by Hitzler (Generalized metrics and topology in logic programming semantics, 2001) by means of "Topological aspects of d-metric space with d-neighborhood system". We have investigated the topological aspects of a d-neighborhood system obtained from dislocated metric space (simply d-metric space) which has got useful applications in the semantic analysis of logic programming. Further more we have generalized the notion of F-contraction in the view of d-metric spaces and investigated the uniqueness of fixed point and coincidence point of such mappings.

Cyclic Deformation Microstructure in Heavily Cold-Drawn Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Xie, Xingfei; Ning, Dong; Sun, Jian

2018-04-01

Cyclic deformation microstructure of the heavily cold-drawn austenitic stainless steel is significantly influenced by the spacing between mechanical twins introduced by prior cold drawing. Well-developed dislocation cells form between mechanical twins with the spacing larger than about 800 nm. Persistent slip band (PSB)-like structure with ladders takes place between mechanical twins spacing from 300 to 800 nm. Few dislocations occur between neighboring mechanical twins with spacing less than about 100 nm. Pre-existing mechanical twins and deformation bands segment austenitic grains, facilitating multi-slip and consequently suppressing PSB formation.

Cyclic Deformation Microstructure in Heavily Cold-Drawn Austenitic Stainless Steel

NASA Astrophysics Data System (ADS)

Xie, Xingfei; Ning, Dong; Sun, Jian

2018-07-01

Cyclic deformation microstructure of the heavily cold-drawn austenitic stainless steel is significantly influenced by the spacing between mechanical twins introduced by prior cold drawing. Well-developed dislocation cells form between mechanical twins with the spacing larger than about 800 nm. Persistent slip band (PSB)-like structure with ladders takes place between mechanical twins spacing from 300 to 800 nm. Few dislocations occur between neighboring mechanical twins with spacing less than about 100 nm. Pre-existing mechanical twins and deformation bands segment austenitic grains, facilitating multi-slip and consequently suppressing PSB formation.

Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

NASA Astrophysics Data System (ADS)

Rezaei Mianroodi, Jaber; Svendsen, Bob

2015-04-01

The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical one as based on the Peach-Köhler force.

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.

The Computation of Global Viscoelastic Co- and Post-seismic Displacement in a Realistic Earth Model by Straightforward Numerical Inverse Laplace Integration

NASA Astrophysics Data System (ADS)

Tang, H.; Sun, W.

2016-12-01

The theoretical computation of dislocation theory in a given earth model is necessary in the explanation of observations of the co- and post-seismic deformation of earthquakes. For this purpose, computation theories based on layered or pure half space [Okada, 1985; Okubo, 1992; Wang et al., 2006] and on spherically symmetric earth [Piersanti et al., 1995; Pollitz, 1997; Sabadini & Vermeersen, 1997; Wang, 1999] have been proposed. It is indicated that the compressibility, curvature and the continuous variation of the radial structure of Earth should be simultaneously taken into account for modern high precision displacement-based observations like GPS. Therefore, Tanaka et al. [2006; 2007] computed global displacement and gravity variation by combining the reciprocity theorem (RPT) [Okubo, 1993] and numerical inverse Laplace integration (NIL) instead of the normal mode method [Peltier, 1974]. Without using RPT, we follow the straightforward numerical integration of co-seismic deformation given by Sun et al. [1996] to present a straightforward numerical inverse Laplace integration method (SNIL). This method is used to compute the co- and post-seismic displacement of point dislocations buried in a spherically symmetric, self-gravitating viscoelastic and multilayered earth model and is easy to extended to the application of geoid and gravity. Comparing with pre-existing method, this method is relatively more straightforward and time-saving, mainly because we sum associated Legendre polynomials and dislocation love numbers before using Riemann-Merlin formula to implement SNIL.

Coulomb Stress Accumulation along the San Andreas Fault System

NASA Technical Reports Server (NTRS)

Smith, Bridget; Sandwell, David

2003-01-01

Stress accumulation rates along the primary segments of the San Andreas Fault system are computed using a three-dimensional (3-D) elastic half-space model with realistic fault geometry. The model is developed in the Fourier domain by solving for the response of an elastic half-space due to a point vector body force and analytically integrating the force from a locking depth to infinite depth. This approach is then applied to the San Andreas Fault system using published slip rates along 18 major fault strands of the fault zone. GPS-derived horizontal velocity measurements spanning the entire 1700 x 200 km region are then used to solve for apparent locking depth along each primary fault segment. This simple model fits remarkably well (2.43 mm/yr RMS misfit), although some discrepancies occur in the Eastern California Shear Zone. The model also predicts vertical uplift and subsidence rates that are in agreement with independent geologic and geodetic estimates. In addition, shear and normal stresses along the major fault strands are used to compute Coulomb stress accumulation rate. As a result, we find earthquake recurrence intervals along the San Andreas Fault system to be inversely proportional to Coulomb stress accumulation rate, in agreement with typical coseismic stress drops of 1 - 10 MPa. This 3-D deformation model can ultimately be extended to include both time-dependent forcing and viscoelastic response.

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

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

Zolotov, D. A., E-mail: zolotovden@crys.ras.ru; Buzmakov, A. V.; Elfimov, D. A.

2017-01-15

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

Nonsteady Problem for an Elastic Half-Plane with Mixed Boundary Conditions

NASA Astrophysics Data System (ADS)

Kubenko, V. D.

2016-03-01

An approach to studying nonstationary wave processes in an elastic half-plane with mixed boundary conditions of the fourth boundary-value problem of elasticity is proposed. The Laplace and Fourier transforms are used. The sequential inversion of these transforms or the inversion of the joint transform by the Cagniard method allows obtaining the required solution (stresses, displacements) in a closed analytic form. With this approach, the problem can be solved for various types of loads

A new finite element code for the study of strain-localization under strike-slip faults

NASA Astrophysics Data System (ADS)

Rodríguez-González, J.; Montesi, L.

2016-12-01

Shear localization under strike-slip faults in ductile conditions remains a matter of debate. The rheology of rocks in the ductile regime is fundamentally strain-rate hardening, which complicates the understanding of the formation of narrow shear zones. Localized shear zones are present in a variety of scales, including kilometric structures at plate boundaries. To compensate for strain-rate hardening, shear zones must be weaker than their surroundings thanks to some weakening mechanism that works at multiple length scales. Mechanisms as shear heating or grain size reduction have been invoked to explain localization of deformation, but none of these mechanisms can work in scales that range from 1 to 1000 km. Layered fabric development has been suggested as a candidate to develop localized shear zones at multiple scales. To test this hypothesis, we have developed a new software that uses the Finite Element Method library deal.II written in C++. We solve the elasticity equations for elastic and Maxwell visco-elastic mediums. A key component required to study strain localization is adaptive mesh refinement. The code automatically identifies those regions in which the deformation is being localized and will increase the resolution. We benchmark the code and test its accuracy using analytical solutions of strike-slip deformation with different boundary conditions. We simulate the instantaneous deformation caused by two kinds of dislocations: a free fault subject to a far field traction and fault with an imposed displacement. We also simulate the visco-elastic relaxation following a strike-slip dislocation. We show that deal.II is a flexible library, suitable for different problems, which will prove useful to study the mechanisms that can lead to strain localization.

Simulation of the zero-temperature behavior of a three-dimensional elastic medium

NASA Astrophysics Data System (ADS)

McNamara, David; Middleton, A. Alan; Zeng, Chen

1999-10-01

We have performed numerical simulation of a three-dimensional elastic medium, with scalar displacements, subject to quenched disorder. In the absence of topological defects this system is equivalent to a (3+1)-dimensional interface subject to a periodic pinning potential. We have applied an efficient combinatorial optimization algorithm to generate exact ground states for this interface representation. Our results indicate that this Bragg glass is characterized by power law divergences in the structure factor S(k)~Ak-3. We have found numerically consistent values of the coefficient A for two lattice discretizations of the medium, supporting universality for A in the isotropic systems considered here. We also examine the response of the ground state to the change in boundary conditions that corresponds to introducing a single dislocation loop encircling the system. The rearrangement of the ground state caused by this change is equivalent to the domain wall of elastic deformations which span the dislocation loop. Our results indicate that these domain walls are highly convoluted, with a fractal dimension df=2.60(5). We also discuss the implications of the domain wall energetics for the stability of the Bragg glass phase. Elastic excitations similar to these domain walls arise when the pinning potential is slightly perturbed. As in other disordered systems, perturbations of relative strength δ introduce a new length scale L*~δ-1/ζ beyond which the perturbed ground state becomes uncorrelated with the reference (unperturbed) ground state. We have performed a scaling analysis of the response of the ground state to the perturbations and obtain ζ=0.385(40). This value is consistent with the scaling relation ζ=df/2-θ, where θ characterizes the scaling of the energy fluctuations of low energy excitations.

Fine tune of elasticity and plasticity of olivine by water: a key to reconcile discrepancy between mineral physics and seismology models

NASA Astrophysics Data System (ADS)

Chen, J.; Girard, J.

2012-12-01

Study of mechanical properties of mantle minerals has unveiled many mysteries of Earth's interior alluded through seismic events. However, some details of seismic models remain unexplained. For instance, magnitude of seismic discontinuity at 410 km depth in seismic models is significantly larger than that derived from elastic properties of dominant minerals at such depth. For another example, although the attenuation of seismic anisotropy in the upper mantle at about 200-220 km depth can be attributed to switchover of active dislocation slip system in the dominant mineral, olivine, the depth and its variation are discrepant from that derived from the pressure at which such switchover is observed in the deformation experiment of mineral plasticity study. We have investigated influence of water on elastic and plastic behaviors of olivine through equation of state and rheological creep experiments using synchrotron x-rays at the X17C and X17B2 beamlines of the NSLS. Results indicate water significantly weakens the mineral. Elastically, 0.4 wt% H2O in olivine results in a 5% reduction in bulk modulus (i.e. from 130 GPa for anhydrous sample to 123 GPa for hydrous sample). Plastically, structural H2O in olivine influences different dislocation slip system very differently, and therefore alters the pressure of active slip system switchover with respect to "dry" sample. Even 30 ppm H2O in weight may lower down the pressure for transition from [100](010) slip to [001](010) slip by 2 GPa (i.e. from 8 GPa in dry condition to 6 GPa in wet condition). Implications of these results will be discussed in this presentation. Together with previously reported results on elastic and plastic properties of mantle dominant minerals, we are able to reconcile the discrepancies between mineral physics and seismology models for the magnitude of 410 km discontinuity and for the attenuation of seismic anisotropy at about 200-220 km respectively.

Nonrigid 3D medical image registration and fusion based on deformable models.

PubMed

Liu, Peng; Eberhardt, Benjamin; Wybranski, Christian; Ricke, Jens; Lüdemann, Lutz

2013-01-01

For coregistration of medical images, rigid methods often fail to provide enough freedom, while reliable elastic methods are available clinically for special applications only. The number of degrees of freedom of elastic models must be reduced for use in the clinical setting to archive a reliable result. We propose a novel geometry-based method of nonrigid 3D medical image registration and fusion. The proposed method uses a 3D surface-based deformable model as guidance. In our twofold approach, the deformable mesh from one of the images is first applied to the boundary of the object to be registered. Thereafter, the non-rigid volume deformation vector field needed for registration and fusion inside of the region of interest (ROI) described by the active surface is inferred from the displacement of the surface mesh points. The method was validated using clinical images of a quasirigid organ (kidney) and of an elastic organ (liver). The reduction in standard deviation of the image intensity difference between reference image and model was used as a measure of performance. Landmarks placed at vessel bifurcations in the liver were used as a gold standard for evaluating registration results for the elastic liver. Our registration method was compared with affine registration using mutual information applied to the quasi-rigid kidney. The new method achieved 15.11% better quality with a high confidence level of 99% for rigid registration. However, when applied to the quasi-elastic liver, the method has an averaged landmark dislocation of 4.32 mm. In contrast, affine registration of extracted livers yields a significantly (P = 0.000001) smaller dislocation of 3.26 mm. In conclusion, our validation shows that the novel approach is applicable in cases where internal deformation is not crucial, but it has limitations in cases where internal displacement must also be taken into account.

Crack stability and branching at interfaces

NASA Astrophysics Data System (ADS)

Thomson, Robb

1995-11-01

The various events that occur at a crack on an interface are explored, and described in terms of a simple graphical construction called the crack stability diagram. For simple Griffith cleavage in a homogeneous material, the stability diagram is a sector of a circle in the space of stress intensity factors, KI/KII. The Griffith circle is limited in both positive and negative KII directions by nonblunting dislocation emission on the cleavage plane. For a branching plane inclined at an angle to the original cleavage plane, both cleavage and emission (which blunts the crack) can be described as a balance between an elastic driving force and a lattice resistance for the event. We use an analytic expression obtained by Cotterell and Rice for cleavage, and show that it is an excellent approximation, but show that the lattice resistance includes a cornering resistance, in addition to the standard surface energy in the final cleavage criterion. Our discussion of the lattaice resistance is derived from simulations in two-dimensional hexagonal lattices with UBER force laws with a variety of shapes. Both branching cleavage and blunting emission can be described in terms of a stability diagram in the space of the remote stress intensity factors, and the competition between events on the initial cleavage plane and those on the branching plane can be described by overlays of the two appropriate stability diagrams. The popular criterion that kII=0 on the branching plane is explored for lattices and found to fail significantly, because the lattice stabilizes cleavage by the anisotropy of the surface energy. Also, in the lattice, dislocation emission must must always be considered as an alternative competing event to branching.

Atomistic simulation study of influence of Al2O3-Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum.

PubMed

Mishra, Srishti; Meraj, Md; Pal, Snehanshu

2018-06-19

A large-scale molecular dynamics (MD) simulation of nano-indentation was carried out to provide insight into the influence of the Al-Al 2 O 3 interface on dislocation evolution and deformation behavior of Al substrate coated with Al 2 O 3 thin film. Adaptive common neighbor analysis (a-CNA), centro-symmetry parameter (CSP) estimation, and dislocation extraction algorithm (DXA) were implemented to represent structural evolution during nano-indentation deformation. The absence of elastic regime was observed in the P-h curve for this simulated nano-indentation test of Al 2 O 3 thin film coated Al specimen. The displacement of oxygen atoms from Al 2 O 3 to Al partly through the interface greatly influences the plastic deformation behavior of the specimen during nano-indentation. Prismatic dislocation loops, which are formed due to pinning of Shockley partials (1/6 < 112>) by Stair-rod (1/6 < 110>) and Hirth dislocation (1/3 < 001>), were observed in all cases studied in this work. Pile-up of atoms was also observed and the extent of the pile-up was found to vary with the test temperature. A distorted stacking fault tetrahedron (SFT) is formed when a nano-indentation test is carried out at 100 K. The presence of a prismatic dislocation loop, SFT and dislocation forest caused strain hardening and, consequently, there is an increase in hardness as indentation depth increases. Graphical abstract Figure illustrates nano-indentation model set up along with load vs. depth curve and distorted stacking fault tetrahedron.

On the mobility of carriers at semi-coherent oxide heterointerfaces

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

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

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

On the mobility of carriers at semi-coherent oxide heterointerfaces

DOE PAGES

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

2017-08-17

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

Dislocation pinning effects induced by nano-precipitates during warm laser shock peening: Dislocation dynamic simulation and experiments

NASA Astrophysics Data System (ADS)

Liao, Yiliang; Ye, Chang; Gao, Huang; Kim, Bong-Joong; Suslov, Sergey; Stach, Eric A.; Cheng, Gary J.

2011-07-01

Warm laser shock peening (WLSP) is a new high strain rate surface strengthening process that has been demonstrated to significantly improve the fatigue performance of metallic components. This improvement is mainly due to the interaction of dislocations with highly dense nanoscale precipitates, which are generated by dynamic precipitation during the WLSP process. In this paper, the dislocation pinning effects induced by the nanoscale precipitates during WLSP are systematically studied. Aluminum alloy 6061 and AISI 4140 steel are selected as the materials with which to conduct WLSP experiments. Multiscale discrete dislocation dynamics (MDDD) simulation is conducted in order to investigate the interaction of dislocations and precipitates during the shock wave propagation. The evolution of dislocation structures during the shock wave propagation is studied. The dislocation structures after WLSP are characterized via transmission electron microscopy and are compared with the results of the MDDD simulation. The results show that nano-precipitates facilitate the generation of highly dense and uniformly distributed dislocation structures. The dislocation pinning effect is strongly affected by the density, size, and space distribution of nano-precipitates.

The effect of grain orientation on nanoindentation behavior of model austenitic alloy Fe-20Cr-25Ni

DOE PAGES

Chen, Tianyi; Tan, Lizhen; Lu, Zizhe; ...

2017-07-26

Instrumented nanoindentation was used in this paper to investigate the hardness, elastic modulus, and creep behavior of an austenitic Fe-20Cr-25Ni model alloy at room temperature, with the indented grain orientation being the variant. The samples indented close to the {111} surfaces exhibited the highest hardness and modulus. However, nanoindentation creep tests showed the greatest tendency for creep in the {111} indented samples, compared with the samples indented close to the {001} and {101} surfaces. Scanning electron microscopy and cross-sectional transmission electron microscopy revealed slip bands and dislocations in all samples. The slip band patterns on the indented surfaces were influencedmore » by the grain orientations. Deformation twinning was observed only under the {001} indented surfaces. Finally, microstructural analysis and molecular dynamics modeling correlated the anisotropic nanoindentation-creep behavior with the different dislocation substructures formed during indentation, which resulted from the dislocation reactions of certain active slip systems that are determined by the indented grain orientations.« less

Analysis of synthetic diamond single crystals by X-ray topography and double-crystal diffractometry

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

Prokhorov, I. A., E-mail: igor.prokhorov@mail.ru; Ralchenko, V. G.; Bolshakov, A. P.

2013-12-15

Structural features of diamond single crystals synthesized under high pressure and homoepitaxial films grown by chemical vapor deposition (CVD) have been analyzed by double-crystal X-ray diffractometry and topography. The conditions of a diffraction analysis of diamond crystals using Ge monochromators have been optimized. The main structural defects (dislocations, stacking faults, growth striations, second-phase inclusions, etc.) formed during crystal growth have been revealed. The nitrogen concentration in high-pressure/high-temperature (HPHT) diamond substrates is estimated based on X-ray diffraction data. The formation of dislocation bundles at the film-substrate interface in the epitaxial structures has been revealed by plane-wave topography; these dislocations are likelymore » due to the relaxation of elastic macroscopic stresses caused by the lattice mismatch between the substrate and film. The critical thicknesses of plastic relaxation onset in CVD diamond films are calculated. The experimental techniques for studying the real diamond structure in optimizing crystal-growth technology are proven to be highly efficient.« less

Investigation of PDMS based bi-layer elasticity via interpretation of apparent Young's modulus.

PubMed

Sarrazin, Baptiste; Brossard, Rémy; Guenoun, Patrick; Malloggi, Florent

2016-02-21

As the need of new methods for the investigation of thin films on various kinds of substrates becomes greater, a novel approach based on AFM nanoindentation is explored. Substrates of polydimethylsiloxane (PDMS) coated by a layer of hard material are probed with an AFM tip in order to obtain the force profile as a function of the indentation. The equivalent elasticity of those composite systems is interpreted using a new numerical approach, the Coated Half-Space Indentation Model of Elastic Response (CHIMER), in order to extract the thicknesses of the upper layer. Two kinds of coating are investigated. First, chitosan films of known thicknesses between 30 and 200 nm were probed in order to test the model. A second type of samples is produced by oxygen plasma oxidation of the PDMS substrate, which results in the growth of a relatively homogeneous oxide layer. The local nature of this protocol enables measurements at long oxidation time, where the apparition of cracks prevents other kinds of measurements.

The wavelet response as a multiscale characterization of scattering processes at granular interfaces.

PubMed

Le Gonidec, Yves; Gibert, Dominique

2006-11-01

We perform a multiscale analysis of the backscattering properties of a complex interface between water and a layer of randomly arranged glass beads with diameter D=1 mm. An acoustical experiment is done to record the wavelet response of the interface in a large frequency range from lambda/D=0.3 to lambda/D=15. The wavelet response is a physical analog of the mathematical wavelet transform which possesses nice properties to detect and characterize abrupt changes in signals. The experimental wavelet response allows to identify five frequency domains corresponding to different backscattering properties of the complex interface. This puts quantitative limits to the validity domains of the models used to represent the interface and which are flat elastic, flat visco-elastic, rough random half-space with multiple scattering, and rough elastic from long to short wavelengths respectively. A physical explanation based on Mie scattering theory is proposed to explain the origin of the five frequency domains identified in the wavelet response.

Solving Laplace equation to investigate the volcanic ground deformation pattern

NASA Astrophysics Data System (ADS)

Brahmi, Mouna; Castaldo, Raffaele; Barone, Andrea; Fedi, Maurizio; Tizzani, Pietro

2017-04-01

Volcanic eruptions are generally preceded by unrest phenomena, which are characterized by variations in the geophysical and geochemical state of the system. The most evident unrest parameters are the spatial and temporal topographic changes, which typically result in uplift or subsidence of the volcano edifice, usually caused by magma accumulation or hot fluid concentration in shallow reservoirs (Denasoquo et al., 2009). If the observed ground deformation phenomenon is very quick and the time evolution of the process shows a linear tendency, we can approximate the problem by using an elastic rheology model of the crust beneath the volcano. In this scenario, by considering the elastic field theory under the Boussinesq (1885) and Love (1892) approximations, we can evaluate the displacement field induced by a generic source in a homogeneous, elastic, half-space at an arbitrary point. To this purpose, we use the depth to extreme points (DEXP) method. By using this approach, we are able to estimate the depth and the geometry of the active source, responsible of the observed ground deformation.

Morphological changes in the cervical intervertebral foramen dimensions with unilateral facet joint dislocation.

PubMed

Ebraheim, Nabil A; Liu, Jiayong; Ramineni, Satheesh K; Liu, Xiaochen; Xie, Joe; Hartman, Ryan G; Goel, Vijay K

2009-11-01

Many investigators have conducted studies to determine the biomechanics, causes, complications and treatment of unilateral facet joint dislocation in the cervical spine. However, there is no quantitative data available on morphological changes in the intervertebral foramen of the cervical spine following unilateral facet joint dislocation. These data are important to understand the cause of neurological compromise following unilateral facet joint dislocation. Eight embalmed human cadaver cervical spine specimens ranging from level C1-T1 were used. The nerve roots of these specimens at C5-C6 level were marked by wrapping a 0.12mm diameter wire around them. Unilateral facet dislocation at C5-C6 level was simulated by serially sectioning the corresponding ligamentous structures. A CT scan of the specimens was obtained before and after the dislocation was simulated. A sagittal plane through the centre of the pedicle and facet joint was constructed and used for measurement. The height and area of the intervertebral foramen, the facet joint space, nerve root diameter and area, and vertebral alignment both before and after dislocation were evaluated. The intervertebral foramen area changed from 50.72+/-0.88mm(2) to 67.82+/-4.77mm(2) on the non-dislocated side and from 41.39+/-1.11mm(2) to 113.77+/-5.65mm(2) on the dislocated side. The foraminal heights changed from 9.02+/-0.30mm to 10.52+/-0.50mm on the non-dislocated side and 10.43+/-0.50mm to 17.04+/-0.96mm on the dislocated side. The facet space area in the sagittal plane changed from 6.80+/-0.80mm(2) to 40.02+/-1.40mm(2) on the non-dislocated side. The C-5 anterior displacement showed a great change from 0mm to 5.40+/-0.24mm on the non-dislocated side and from 0mm to 3.42+/-0.20mm on the dislocated side. Neither of the nerve roots on either side showed a significant change in size. The lack of change in nerve root area indicates that the associated nerve injury with unilateral facet joint dislocation is probably due to distraction rather than due to direct nerve root compression.

Geodetic Network Design and Optimization on the Active Tuzla Fault (Izmir, Turkey) for Disaster Management

PubMed Central

Halicioglu, Kerem; Ozener, Haluk

2008-01-01

Both seismological and geodynamic research emphasize that the Aegean Region, which comprises the Hellenic Arc, the Greek mainland and Western Turkey is the most seismically active region in Western Eurasia. The convergence of the Eurasian and African lithospheric plates forces a westward motion on the Anatolian plate relative to the Eurasian one. Western Anatolia is a valuable laboratory for Earth Science research because of its complex geological structure. Izmir is a large city in Turkey with a population of about 2.5 million that is at great risk from big earthquakes. Unfortunately, previous geodynamics studies performed in this region are insufficient or cover large areas instead of specific faults. The Tuzla Fault, which is aligned trending NE–SW between the town of Menderes and Cape Doganbey, is an important fault in terms of seismic activity and its proximity to the city of Izmir. This study aims to perform a large scale investigation focusing on the Tuzla Fault and its vicinity for better understanding of the region's tectonics. In order to investigate the crustal deformation along the Tuzla Fault and Izmir Bay, a geodetic network has been designed and optimizations were performed. This paper suggests a schedule for a crustal deformation monitoring study which includes research on the tectonics of the region, network design and optimization strategies, theory and practice of processing. The study is also open for extension in terms of monitoring different types of fault characteristics. A one-dimensional fault model with two parameters – standard strike-slip model of dislocation theory in an elastic half-space – is formulated in order to determine which sites are suitable for the campaign based geodetic GPS measurements. Geodetic results can be used as a background data for disaster management systems. PMID:27873783

The 1999 Mw 7.1 Hector Mine, California, earthquake: A test of the stress shadow hypothesis?

USGS Publications Warehouse

Harris, R.A.; Simpson, R.W.

2002-01-01

We test the stress shadow hypothesis for large earthquake interactions by examining the relationship between two large earthquakes that occurred in the Mojave Desert of southern California, the 1992 Mw 7.3 Landers and 1999 Mw 7.1 Hector Mine earthquakes. We want to determine if the 1999 Hector Mine earthquake occurred at a location where the Coulomb stress was increased (earthquake advance, stress trigger) or decreased (earthquake delay, stress shadow) by the previous large earthquake. Using four models of the Landers rupture and a range of possible hypocentral planes for the Hector Mine earthquake, we discover that most scenarios yield a Landers-induced relaxation (stress shadow) on the Hector Mine hypocentral plane. Although this result would seem to weigh against the stress shadow hypothesis, the results become considerably more uncertain when the effects of a nearby Landers aftershock, the 1992 ML 5.4 Pisgah earthquake, are taken into account. We calculate the combined static Coulomb stress changes due to the Landers and Pisgah earthquakes to range from -0.3 to +0.3 MPa (- 3 to +3 bars) at the possible Hector Mine hypocenters, depending on choice of rupture model and hypocenter. These varied results imply that the Hector Mine earthquake does not provide a good test of the stress shadow hypothesis for large earthquake interactions. We use a simple approach, that of static dislocations in an elastic half-space, yet we still obtain a wide range of both negative and positive Coulomb stress changes. Our findings serve as a caution that more complex models purporting to explain the triggering or shadowing relationship between the 1992 Landers and 1999 Hector Mine earthquakes need to also consider the parametric and geometric uncertainties raised here.

Geodetic Network Design and Optimization on the Active Tuzla Fault (Izmir, Turkey) for Disaster Management.

PubMed

Halicioglu, Kerem; Ozener, Haluk

2008-08-19

Both seismological and geodynamic research emphasize that the Aegean Region, which comprises the Hellenic Arc, the Greek mainland and Western Turkey is the most seismically active region in Western Eurasia. The convergence of the Eurasian and African lithospheric plates forces a westward motion on the Anatolian plate relative to the Eurasian one. Western Anatolia is a valuable laboratory for Earth Science research because of its complex geological structure. Izmir is a large city in Turkey with a population of about 2.5 million that is at great risk from big earthquakes. Unfortunately, previous geodynamics studies performed in this region are insufficient or cover large areas instead of specific faults. The Tuzla Fault, which is aligned trending NE-SW between the town of Menderes and Cape Doganbey, is an important fault in terms of seismic activity and its proximity to the city of Izmir. This study aims to perform a large scale investigation focusing on the Tuzla Fault and its vicinity for better understanding of the region's tectonics. In order to investigate the crustal deformation along the Tuzla Fault and Izmir Bay, a geodetic network has been designed and optimizations were performed. This paper suggests a schedule for a crustal deformation monitoring study which includes research on the tectonics of the region, network design and optimization strategies, theory and practice of processing. The study is also open for extension in terms of monitoring different types of fault characteristics. A one-dimensional fault model with two parameters - standard strike-slip model of dislocation theory in an elastic half-space - is formulated in order to determine which sites are suitable for the campaign based geodetic GPS measurements. Geodetic results can be used as a background data for disaster management systems.

[Treatment of complete acromioclavicular joint dislocation with transfer of the medial half of the coracoacromial ligament to reconstruct the coracoclavicular ligament].

PubMed

Dong, Wen-Wei; Shi, Zeng-Yuan; Liu, Zheng-Xin; Mao, Hai-Jiao

2015-04-01

To explore the operation methods and clinical effects of transfer of the medial half of the coracoacromial ligament to reconstruct the coracoclavicular ligament in treating complete acromioclavicular joint dislocation. From January 2006 to June 2012,26 patients with acute complete acromioclavicular joint dislocation underwent surgery. Transfer of the medial half of the coracoacromial ligament to reconstruct the coracoclavicular ligament, additional clavical hoot plate and Kirschner wires fixation, were performed in all the patients. Among the patients, 18 patients were male and 8 patients were female, with an average age of 36.7 years old (ranged from 25 to 51 years). The duration from injury to operation was from 3 to 12 days with an average of 5 days. According to the Rockwood classification, 4 cases were grade III and 22 cases were grade V . Clinical manifestation included local swelling, tenderness with snapping, limitation of shoulder joint motion. In preoperative bilateral shoulder joint X-rays, the injured coracoclavicular distance was (16.2 ± 5.0) mm which was significantly wider than that of uninjured sides (7.6 ± 1.0) mm. Clinical results were evaluated according to X-rays and Constant-Murley score. All incisions obtained primary healing after operation without complication of infection, internal fixation breakage, redislocation. All the patients were followed up from 12 to 30 months with an average of 18 months. Kirschner wires and internal fixation plate were removed at 1 month and 8-10 months after operation, respectively. At final follow-up, the motion of shoulder joint recovered to normal and a no pain joint was obtained. According to Constant-Murley score, 24 cases got excellent results and 2 cases good. There was no significant difference after operation between the injured coracoclavicular distance and the uninjured contralateral side [(7.7 ± 1.2) mm vs (7.6 ± 1.0) mm), P > 0.05]. Transfer of the medial half of the coracoacromial ligament to reconstruct the coracoclavicular ligament, additional fixation using hook plate and Kirschner wires is the effective surgical method in treating complete acute acromioclavicular joint dislocation.

Mechanical behavior of nanocrystalline NaCl islands on Cu(111).

PubMed

Bombis, Ch; Ample, F; Mielke, J; Mannsberger, M; Villagómez, C J; Roth, Ch; Joachim, C; Grill, L

2010-05-07

The mechanical response of ultrathin NaCl crystallites of nanometer dimensions upon manipulation with the tip of a scanning tunneling microscope (STM) is investigated, expanding STM manipulation to various nanostructuring modes of inorganic materials as cutting, moving, and cracking. In the light of theoretical calculations, our results reveal that atomic-scale NaCl islands can behave elastically and follow a classical Hooke's law. When the elastic limit of the nanocrystallites is reached, the STM tip induces atomic dislocations and consequently the regime of plastic deformation is entered. Our methodology is paving the way to understand the mechanical behavior and properties of other nanoscale materials.

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.

Oscillations of kinks on dislocation lines in crystals and low-temperature transport anomalies as a ``passport'' of newly-induced defects

NASA Astrophysics Data System (ADS)

Mezhov-Deglin, L. P.; Mukhin, S. I.

2011-10-01

The possible interpretation of experimental data on low-temperature anomalies in weakly deformed metallic crystals prepared form ultra-pure lead, copper, and silver, as well as in crystals of 4He is discussed within the previously proposed theoretical picture of dislocations with dynamical kinks. In the case of pure metals the theoretical predictions give a general picture of interaction of conduction electrons in a sample with newly-introduced dislocations, containing dynamic kinks in the Peierls potential relief. In the field of random stresses appearing due to plastic deformation of a sample, kinks on the dislocation line form a set of one-dimensional oscillators in potential wells of different shapes. In the low temperature region at low enough density of defects pinning kinks the inelastic scattering of electrons on kinks should lead to deviations from the Wiedemann-Franz law. In particular, the inelastic scattering on kinks should result in a quadratic temperature dependence of the thermal conductivity in a metallic sample along preferential directions of dislocation axes. In the plane normal to the dislocation axis the elastic large-angle scattering of electrons is prevalent. The kink pinning by a point defect or by additional dislocations as well as the sample annealing leading to the disappearance of kinks should induce suppression of transport anomalies. Thus, the energy interval for the spectrum of kink oscillations restricted by characteristic amplitude of the Peierls relief is a "passport of deformation history" for each specific sample. For instance, in copper the temperature/energy region of the order of 1 K corresponds to it. It is also planned to discuss in the other publication applicability of mechanism of phonon scattering on mobile dislocation kinks and pinning of kinks by impurities in order to explain anomalies of phonon thermal conductivity of 4He crystals and deformed crystals of pure lead in a superconducting state.

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.

Asymptotic self-restabilization of a continuous elastic structure

NASA Astrophysics Data System (ADS)

Bosi, F.; Misseroni, D.; Dal Corso, F.; Neukirch, S.; Bigoni, D.

2016-12-01

A challenge in soft robotics and soft actuation is the determination of an elastic system that spontaneously recovers its trivial path during postcritical deformation after a bifurcation. The interest in this behavior is that a displacement component spontaneously cycles around a null value, thus producing a cyclic soft mechanism. An example of such a system is theoretically proven through the solution of the elastica and a stability analysis based on dynamic perturbations. It is shown that the asymptotic self-restabilization is driven by the development of a configurational force, of similar nature to the Peach-Koehler interaction between dislocations in crystals, which is derived from the principle of least action. A proof-of-concept prototype of the discovered elastic system is designed, realized, and tested, showing that this innovative behavior can be obtained in a real mechanical apparatus.

Effects of processing history on the evolution of surface damage layer and dislocation substructure in large grain niobium cavities

DOE PAGES

Kang, D.; Bieler, T. R.; Compton, C.

2015-12-16

Large grain niobium (Nb) is being investigated for fabricating superconducting radiofrequency cavities as an alternative to the traditional approach using fine grain polycrystalline Nb sheets. Past studies have identified a surface damage layer on fine grain cavities due to deep drawing and demonstrated the necessity for chemical etching on the surface. However, the origin of and depth of the damage layer are not well understood, and similar exploration on large grain cavities is lacking. In this work, electron backscatter diffraction (EBSD) was used to examine the cross sections at the equator and iris of a half cell deep drawn frommore » a large grain Nb ingot slice. The results indicate that the damage (identified by a high density of geometrically necessary dislocations) depends on crystal orientations, is different at the equator and iris, and is present through the full thickness of a half cell in some places. After electron backscatter diffraction, the specimens were heat treated at 800 °C or 1000 °C for two hours, and the same areas were reexamined. A more dramatic decrease in dislocation content was observed at the iris than the equator, where some regions exhibited no change. The specimens were then etched and examined again, to determine if the subsurface region behaved differently than the surface. As a result, little change in the dislocation substructure was observed, suggesting that the large grain microstructure is retained with a normal furnace anneal.« less

M(2)C Carbide Precipitation in Martensitic Cobalt - Steels.

NASA Astrophysics Data System (ADS)

Montgomery, Jonathan Scott

1990-01-01

M_2C carbide precipitation was investigated in martensitic Co-Ni steels, including the commercial AF1410 steel and a series of higher-strength model alloys. Results of TEM (from both thin foils and extraction replicas) and X-ray diffraction were combined with results of collaborative SANS and APFIM studies to determine phase fractions, compositions, and lattice parameters throughout precipitation, including estimation of carbide initial critical nucleus properties. The composition dependence of the M_2C lattice parameters was modelled to predict the composition-dependent transformation eigen-strains for coherent precipitation; this was input into collaborative numerical calculations of both the coherent carbide elastic self energy and the dislocation interaction energy during heterogeneous precipitation. The observed overall precipitation behavior is consistent with theoretically-predicted behavior at high supersaturations where nucleation and coarsening compete such that the average particle size remains close to the critical size as supersaturation drops. However, the coarsening in this system follows a t^{1over 5} rate law consistent with heterogeneous precipitation on dislocations. Initial precipitation appears to be coherent, the carbides tending toward a rod shape with major axis oriented along the minimum principal strain direction. At initial nucleation, particles are Fe-rich and C-deficient, diminishing the transformation eigenstrains to a near invariant-line strain condition. The observed relation between carbide volume fraction and the shape -dependent capillarity parameter partialS/ partialV implies a coherency loss transition in AF1410 reached at 8hr tempering at 510 ^circC. The precipitation in AF1410 at 510^ circC exhibits a "renucleation" phenomenon in which a second stage of nucleation occurs beyond the precipitation half-completion time (1-2hrs). It appears that the carbide composition during precipitation follows a trajectory of increasing interfacial energy and nearly constant volume driving force. This may contribute to the renucleation phenomenon, but the computed barrier for heterogeneous nucleation on the dislocations is at this point an order of magnitude too high. An alternative possibility is that renucleation may represent autocatalytic heterogeneous nucleation in the stress field of coherent carbides, once they have grown to sufficient size to act as potent nucleation sites.

Analytical close-form solutions to the elastic fields of solids with dislocations and surface stress

NASA Astrophysics Data System (ADS)

Ye, Wei; Paliwal, Bhasker; Ougazzaden, Abdallah; Cherkaoui, Mohammed

2013-07-01

The concept of eigenstrain is adopted to derive a general analytical framework to solve the elastic field for 3D anisotropic solids with general defects by considering the surface stress. The formulation shows the elastic constants and geometrical features of the surface play an important role in determining the elastic fields of the solid. As an application, the analytical close-form solutions to the stress fields of an infinite isotropic circular nanowire are obtained. The stress fields are compared with the classical solutions and those of complex variable method. The stress fields from this work demonstrate the impact from the surface stress when the size of the nanowire shrinks but becomes negligible in macroscopic scale. Compared with the power series solutions of complex variable method, the analytical solutions in this work provide a better platform and they are more flexible in various applications. More importantly, the proposed analytical framework profoundly improves the studies of general 3D anisotropic materials with surface effects.

Implementation of perfectly matched layers in an arbitrary geometrical boundary for elastic wave modelling

NASA Astrophysics Data System (ADS)

Gao, Hongwei; Zhang, Jianfeng

2008-09-01

The perfectly matched layer (PML) absorbing boundary condition is incorporated into an irregular-grid elastic-wave modelling scheme, thus resulting in an irregular-grid PML method. We develop the irregular-grid PML method using the local coordinate system based PML splitting equations and integral formulation of the PML equations. The irregular-grid PML method is implemented under a discretization of triangular grid cells, which has the ability to absorb incident waves in arbitrary directions. This allows the PML absorbing layer to be imposed along arbitrary geometrical boundaries. As a result, the computational domain can be constructed with smaller nodes, for instance, to represent the 2-D half-space by a semi-circle rather than a rectangle. By using a smooth artificial boundary, the irregular-grid PML method can also avoid the special treatments to the corners, which lead to complex computer implementations in the conventional PML method. We implement the irregular-grid PML method in both 2-D elastic isotropic and anisotropic media. The numerical simulations of a VTI lamb's problem, wave propagation in an isotropic elastic medium with curved surface and in a TTI medium demonstrate the good behaviour of the irregular-grid PML method.

Elasticity of fractal materials using the continuum model with non-integer dimensional space

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2015-01-01

Using a generalization of vector calculus for space with non-integer dimension, we consider elastic properties of fractal materials. Fractal materials are described by continuum models with non-integer dimensional space. A generalization of elasticity equations for non-integer dimensional space, and its solutions for the equilibrium case of fractal materials are suggested. Elasticity problems for fractal hollow ball and cylindrical fractal elastic pipe with inside and outside pressures, for rotating cylindrical fractal pipe, for gradient elasticity and thermoelasticity of fractal materials are solved.

Morphology of single Shockley-type stacking faults generated by recombination enhanced dislocation glide in 4H-SiC

NASA Astrophysics Data System (ADS)

Matsuhata, Hirofumi; Sekiguchi, Takashi

2018-04-01

Morphology of single Shockley-type stacking faults (SFs) generated by recombination enhanced dislocation glide (REDG) in 4H-SiC are discussed and analysed. A complete set of the 12 different dissociated states of basal-plane dislocation loops is obtained using the crystallographic space group operations. From this set, six different double rhombic-shaped SFs are derived. These tables indicate the rules that connect shapes of SFs with the locations of partial dislocations having different core structures, the positions of slip planes in a unit cell, and the Burgers vectors of partial dislocations. We applied these tables for the analysis of SFs generated by the REDG effect reported in the past articles. Shapes, growing process of SFs and perfect dislocations for origins of SFs were well analysed systematically.

Determination of dislocation density by electron backscatter diffraction and X-ray line profile analysis in ferrous lath martensite

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

Berecz, Tibor, E-mail: berecz@eik.bme.hu; Jenei, Péter, E-mail: jenei@metal.elte.hu; Csóré, András, E-mail: csorean@gmail.com

2016-03-15

The microstructure and the dislocation density in as-quenched ferrous lath martensite were studied by different methods. The blocks, packets and variants formed due to martensitic transformation were identified and their sizes were determined by electron backscatter diffraction (EBSD). Concomitant transmission electron microscopy (TEM) investigation revealed that the laths contain subgrains with the size between 50 and 100 nm. A novel evaluation procedure of EBSD images was elaborated for the determination of the density and the space distribution of geometrically necessary dislocations from the misorientation distribution. The total dislocation density obtained by X-ray diffraction line profile analysis was in good agreementmore » with the value determined by EBSD, indicating that the majority of dislocations formed due to martensitic transformation during quenching are geometrically necessary dislocations.« less

Indentation theory on a half-space of transversely isotropic multi-ferroic composite medium: sliding friction effect

NASA Astrophysics Data System (ADS)

Wu, F.; Wu, T.-H.; Li, X.-Y.

2018-03-01

This article aims to present a systematic indentation theory on a half-space of multi-ferroic composite medium with transverse isotropy. The effect of sliding friction between the indenter and substrate is taken into account. The cylindrical flat-ended indenter is assumed to be electrically/magnetically conducting or insulating, which leads to four sets of mixed boundary-value problems. The indentation forces in the normal and tangential directions are related to the Coulomb friction law. For each case, the integral equations governing the contact behavior are developed by means of the generalized method of potential theory, and the corresponding coupling field is obtained in terms of elementary functions. The effect of sliding on the contact behavior is investigated. Finite element method (FEM) in the context of magneto-electro-elasticity is developed to discuss the validity of the analytical solutions. The obtained analytical solutions may serve as benchmarks to various simplified analyses and numerical codes and as a guide for future experimental studies.

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.

Dislocation loops in ultra-high purity Fe(Cr) alloys after 7.2 MeV proton irradiation

NASA Astrophysics Data System (ADS)

Chen, J.; Duval, F.; Jung, P.; Schäublin, R.; Gao, N.; Barthe, M. F.

2018-05-01

Ultra-high purity Fe(Cr) alloys (from 0 wt% Cr to 14 wt% Cr) were 3D homogeneously irradiated by 0-7.2 MeV protons to 0.3 dpa at nominal temperatures from 270 °C to 500 °C. Microstructural changes were observed by transmission electron microscopy (TEM). The results showed that evolution of dislocation loops depends on the Cr content. Below 300 °C, large ½ a0 <111> loops are dominating. Above 300 °C, a0 <100> loops with a habit plane {100} appear. Loop sizes of both types are more or less the same. At temperatures from 310 °C to 400 °C, a0 <100> loops form clusters with the same {100} habit plane as the one of the loops forming them. This indicates that <100> loops of the same variant start gliding under mutual elastic interaction. At 500 °C, dislocation loops form disc shaped clusters about 1000 nm in diameter and sitting on {111} and/or {100} planes in the pure Fe samples. Based on these observations a quantitative analysis of the dislocation loops configurations and their temperature dependence is made, leading to an understanding of the basic mechanisms of formation of these loops.

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

Hansen, Benjamin L; Bronkhorst, Curt; Beyerlein, Irene

The goal of this work is to formulate a constitutive model for the deformation of metals over a wide range of strain rates. Damage and failure of materials frequently occurs at a variety of deformation rates within the same sample. The present state of the art in single crystal constitutive models relies on thermally-activated models which are believed to become less reliable for problems exceeding strain rates of 10{sup 4} s{sup -1}. This talk presents work in which we extend the applicability of the single crystal model to the strain rate region where dislocation drag is believed to dominate. Themore » elastic model includes effects from volumetric change and pressure sensitive moduli. The plastic model transitions from the low-rate thermally-activated regime to the high-rate drag dominated regime. The direct use of dislocation density as a state parameter gives a measurable physical mechanism to strain hardening. Dislocation densities are separated according to type and given a systematic set of interactions rates adaptable by type. The form of the constitutive model is motivated by previously published dislocation dynamics work which articulated important behaviors unique to high-rate response in fcc systems. The proposed material model incorporates thermal coupling. The hardening model tracks the varying dislocation population with respect to each slip plane and computes the slip resistance based on those values. Comparisons can be made between the responses of single crystals and polycrystals at a variety of strain rates. The material model is fit to copper.« less

Boundary element method for normal non-adhesive and adhesive contacts of power-law graded elastic materials

NASA Astrophysics Data System (ADS)

Li, Qiang; Popov, Valentin L.

2018-03-01

Recently proposed formulation of the boundary element method for adhesive contacts has been generalized for contacts of power-law graded materials with and without adhesion. Proceeding from the fundamental solution for single force acting on the surface of an elastic half space, first the influence matrix is obtained for a rectangular grid. The inverse problem for the calculation of required stress in the contact area from a known surface displacement is solved using the conjugate-gradient technique. For the transformation between the stresses and displacements, the Fast Fourier Transformation is used. For the adhesive contact of graded material, the detachment criterion based on the energy balance is proposed. The method is validated by comparison with known exact analytical solutions as well as by proving the independence of the mesh size and the grid orientation.

Simulation of elastic wave propagation using cellular automata and peridynamics, and comparison with experiments

DOE PAGES

Nishawala, Vinesh V.; Ostoja-Starzewski, Martin; Leamy, Michael J.; ...

2015-09-10

Peridynamics is a non-local continuum mechanics formulation that can handle spatial discontinuities as the governing equations are integro-differential equations which do not involve gradients such as strains and deformation rates. This paper employs bond-based peridynamics. Cellular Automata is a local computational method which, in its rectangular variant on interior domains, is mathematically equivalent to the central difference finite difference method. However, cellular automata does not require the derivation of the governing partial differential equations and provides for common boundary conditions based on physical reasoning. Both methodologies are used to solve a half-space subjected to a normal load, known as Lamb’smore » Problem. The results are compared with theoretical solution from classical elasticity and experimental results. Furthermore, this paper is used to validate our implementation of these methods.« less

On the relative importance of bending and compression in cervical spine bilateral facet dislocation.

PubMed

Nightingale, Roger W; Bass, Cameron R; Myers, Barry S

2018-03-08

Cervical bilateral facet dislocations are among the most devastating spine injuries in terms of likelihood of severe neurological sequelae. More than half of patients with tetraparesis had sustained some form of bilateral facet fracture dislocation. They can occur at any level of the sub-axial cervical spine, but predominate between C5 and C7. The mechanism of these injuries has long been thought to be forceful flexion of the chin towards the chest. This "hyperflexion" hypothesis comports well with intuition and it has become dogma in the clinical literature. However, biomechanical studies of the human cervical spine have had little success in producing this clinically common and devastating injury in a flexion mode of loading. The purpose of this manuscript is to review the clinical and engineering literature on the biomechanics of bilateral facet dislocations and to describe the mechanical reasons for the causal role of compression, and the limited role of head flexion, in producing bilateral facet dislocations. Bilateral facet dislocations have only been produced in experiments where compression is the primary loading mode. To date, no biomechanical study has produced bilateral facet dislocations in a whole spine by bending. Yet the notion that it is primarily a hyper-flexion injury persists in the clinical literature. Compression and compressive buckling are the primary causes of bilateral facet dislocations. It is important to stop using the hyper-flexion nomenclature to describe this class of cervical spines injuries because it may have a detrimental effect on designs for injury prevention. Copyright © 2018 Elsevier Ltd. All rights reserved.

Comment on ``Dynamic Peierls-Nabarro equations for elastically isotropic crystals''

NASA Astrophysics Data System (ADS)

Markenscoff, Xanthippi

2011-02-01

The paper by Pellegrini [Phys. Rev. BPRBMDO0031-899X10.1103/PhysRevB.81.024101 81, 024101 (2010)] introduces additional “distributional terms” to the displacement of the static field of a dislocation and claims that they are needed so that Weertman's equation for the steady-state motion of the Peierls-Nabarro dislocation be recovered. He also claims that the [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution for a moving screw is wrong, a statement with which I disagree. The same [Eshelby, Phys. Rev.PHRVAO0031-899X10.1103/PhysRev.90.248 90, 248 (1953)] solution is also obtained and used by the eminent dislocation scientists Al’shitz and Indenbom in Al’shitz [Sov. Phys. JETP 33, 1240 (1971)] that the author ignores. A key reference in the formulation of the problem as a 3D inclusion with eigenstrain is Willis [J. Mech. Phys. SolidsJMPSA80022-509610.1016/0022-5096(65)90038-4 13, 377 (1965)] who showed that, in the transient fields, the static Eshelby equivalence of dislocations to inclusions (with eigenstrain) does not hold, but only at long times when they tend to the static ones. In this Comment the author provides the fundamental physics of the behavior of a moving Volterra dislocation in nonuniform motion by showing how the singular fields near the moving core are obtained from “first principles” (without solving for the full fields). The limit to the steady-state motion of a Peierls-Nabarro dislocation is also shown how to be obtained from first principles from the Volterra one by taking the appropriate limit, without the need of the additional distributional terms that Pellegrini introduces.

Self-force on a point charge and linear source in the space of a screw dislocation

NASA Astrophysics Data System (ADS)

Azevedo, Sérgio; Moraes, Fernando

2000-03-01

Using a description of defect in solids in terms of three-dimensional gravity, we determine the eletrostatic self-force acting on a point teste charge and a linear source in the presence of a screw dislocation.

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

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

Sasaki, Takuo; Ohshita, Yoshio; Kamiya, Itaru

2011-12-01

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

Mechanism of underthrusting in southwest Japan: A model of convergent plate interactions

NASA Technical Reports Server (NTRS)

Fitch, T. J.; Scholz, C. H.

1971-01-01

An elastic rebound mechanism consistent with underthrusting at the time of the magnitude 8.2 Nankaido earthquake of 21 December, 1946 accounts for a reversal in sense between seismic and preseismic changes in elevation throughout a large portion of southwest Japan. It is shown that the seismic movements during the earthquake were generated by slip on a complex thrust fault that is inferred to intersect the surface near the base of the continental slope. The preseismic deformation is explained by strain accumulation equivalent to a virtual dislocation with the same orientation as the fault surface but a sense opposite to that of the real dislocation that occurred at the time of the earthquake. Adjustments by slip along the fault surface and extensions of that surface can account for postseismic movements.

A Rare Case of Neglected Traumatic Anterior Dislocation of Hip in a Child.

PubMed

Mootha, Aditya Krishna; Mogali, Kasi Viswanadam

2016-01-01

Post traumatic hip dislocations are very rare in children. Neglected anterior hip dislocations in children are not described in literature so far. Here, we present a case of 6 weeks old anterior hip dislocation successfully managed by open reduction. A 9-year-old male child presented with neglected anterior hip dislocation on left side. Open reduction carried out through direct anterior approach to hip. Congruent reduction is achieved. At final follow up of 1 year, the child had unrestricted activities of daily living and no radiological signs of osteonecrosis or any joint space reduction. There is paucity of literature over neglected post traumatic anterior hip dislocations in children. The treatment options vary from closed reduction after heavy traction to sub trochanteric osteotomy. However, we feel that open reduction through direct anterior approach is the preferred mode of management whenever considered possible.

Elastic layer under axisymmetric indentation and surface energy effects

NASA Astrophysics Data System (ADS)

Intarit, Pong-in; Senjuntichai, Teerapong; Rungamornrat, Jaroon

2018-04-01

In this paper, a continuum-based approach is adopted to investigate the contact problem of an elastic layer with finite thickness and rigid base subjected to axisymmetric indentation with the consideration of surface energy effects. A complete Gurtin-Murdoch surface elasticity is employed to consider the influence of surface stresses. The indentation problem of a rigid frictionless punch with arbitrary axisymmetric profiles is formulated by employing the displacement Green's functions, derived with the aid of Hankel integral transform technique. The problem is solved by assuming the contact pressure distribution in terms of a linear combination of admissible functions and undetermined coefficients. Those coefficients are then obtained by employing a collocation technique and an efficient numerical quadrature scheme. The accuracy of proposed solution technique is verified by comparing with existing solutions for rigid indentation on an elastic half-space. Selected numerical results for the indenters with flat-ended cylindrical and paraboloidal punch profiles are presented to portray the influence of surface energy effects on elastic fields of the finite layer. It is found that the presence of surface stresses renders the layer stiffer, and the size-dependent behavior of elastic fields is observed in the present solutions. In addition, the surface energy effects become more pronounced with smaller contact area; thus, the influence of surface energy cannot be ignored in the analysis of indentation problem especially when the indenter size is very small such as in the case of nanoindentation.

Slip, twinning, and fracture at a grain boundary in the L1/sub 2/ ordered structure: A. sigma. = 9 tilt boundary

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

Yoo, M.H.; King, A.H.

The role of interaction between slip dislocations and a ..sigma.. = 9 tilt boundary in localized microplastic deformation, cleavage, or intergranular fracture in the L1/sub 2/ ordered structure has been analyzed by using the anisotropic elasticity theory of dislocations and fracture. Screw superpartials cross slip easily at the boundary onto the (11-bar1) and the (001) planes at low and high temperatures, respectively. Transmission of primary slip dislocations onto the conjugate slip system occurs with a certain degree of difficulty, which is eased by localized disordering. When the transmission is impeded, cleavage fracture on the (1-bar11) plane is predicted to occur,more » not intergranular fracture, unless a symmetric double pileup occurs simultaneously. Absorption (or emission) of superpartials occurs only when the boundary region is disordered. Slip initiation from pre-existing sources near the boundary can occur under the local stress concentration. Implications of the present result on the inherent brittleness of grain boundaries in Ni/sub 3/ Al and its improvement by boron segregation are discussed.« less

3D Imaging of a Dislocation Loop at the Onset of Plasticity in an Indented Nanocrystal.

PubMed

Dupraz, M; Beutier, G; Cornelius, T W; Parry, G; Ren, Z; Labat, S; Richard, M-I; Chahine, G A; Kovalenko, O; De Boissieu, M; Rabkin, E; Verdier, M; Thomas, O

2017-11-08

Structural quality and stability of nanocrystals are fundamental problems that bear important consequences for the performances of small-scale devices. Indeed, at the nanoscale, their functional properties are largely influenced by elastic strain and depend critically on the presence of crystal defects. It is thus of prime importance to be able to monitor, by noninvasive means, the stability of the microstructure of nano-objects against external stimuli such as mechanical load. Here we demonstrate the potential of Bragg coherent diffraction imaging for such measurements, by imaging in 3D the evolution of the microstructure of a nanocrystal exposed to in situ mechanical loading. Not only could we observe the evolution of the internal strain field after successive loadings, but we also evidenced a transient microstructure hosting a stable dislocation loop. The latter is fully characterized from its characteristic displacement field. The mechanical behavior of this small crystal is clearly at odds with what happens in bulk materials where many dislocations interact. Moreover, this original in situ experiment opens interesting possibilities for the investigation of plastic deformation at the nanoscale.

Strain amplitude-dependent anelasticity in Cu-Ni solid solution due to thermally activated and athermal dislocation-point obstacle interactions

NASA Astrophysics Data System (ADS)

Kustov, S.; Gremaud, G.; Benoit, W.; Golyandin, S.; Sapozhnikov, K.; Nishino, Y.; Asano, S.

1999-02-01

Experimental investigations of the internal friction and the Young's modulus defect in single crystals of Cu-(1.3-7.6) at. % Ni have been performed for 7-300 K over a wide range of oscillatory strain amplitudes. Extensive data have been obtained at a frequency of vibrations around 100 kHz and compared with the results obtained for the same crystals at a frequency of ˜1 kHz. The strain amplitude dependence of the anelastic strain amplitude and the average friction stress acting on a dislocation due to solute atoms are also analyzed. Several stages in the strain amplitude dependence of the internal friction and the Young's modulus defect are revealed for all of the alloy compositions, at different temperatures and in different frequency ranges. For the 100 kHz frequency, low temperatures and low strain amplitudes (˜10-7-10-5), the amplitude-dependent internal friction and the Young's modulus defect are essentially temperature independent, and are ascribed to a purely hysteretic internal friction component. At higher strain amplitudes, a transition stage and a steep strain amplitude dependence of the internal friction and the Young's modulus defect are observed, followed by saturation at the highest strain amplitudes employed. These stages are temperature and frequency dependent and are assumed to be due to thermally activated motion of dislocations. We suggest that the observed regularities in the entire strain amplitude, temperature and frequency ranges correspond to a motion of dislocations in a two-component system of obstacles: weak but long-range ones, due to the elastic interaction of dislocations with solute atoms distributed in the bulk of the crystal; and strong short-range ones, due to the interaction of dislocations with solute atoms distributed close to dislocation glide planes. Based on these assumptions, a qualitative explanation is given for the variety of experimental observations.

Patellofemoral Arthritis After Lateral Patellar Dislocation: A Matched Population-Based Analysis.

PubMed

Sanders, Thomas L; Pareek, Ayoosh; Johnson, Nicholas R; Stuart, Michael J; Dahm, Diane L; Krych, Aaron J

2017-04-01

The rate of patellofemoral arthritis after lateral patellar dislocation is unknown. Purpose/Hypothesis: The purpose of this study was to compare the risk of patellofemoral arthritis and knee arthroplasty between patients who experienced a lateral patellar dislocation and matched individuals without a patellar dislocation. Additionally, factors predictive of arthritis after patellar dislocation were examined. The hypothesis was that the rate of arthritis is likely higher among patients who experience a patellar dislocation compared with those who do not. Cohort study; Level of evidence, 3. In this study, 609 patients who had a first-time lateral patellar dislocation between 1990 and 2010 were compared with an age- and sex-matched cohort of patients who did not have a patellar dislocation. Medical records were reviewed to collect information related to the initial injury, recurrent dislocation, treatment, and progression to clinically significant patellofemoral arthritis (defined as symptoms with degenerative changes on patellar sunrise radiographs). Factors associated with arthritis (age, sex, recurrence, osteochondral injury, trochlear dysplasia) were examined. At a mean follow-up of 12.3 ± 6.5 years from initial dislocation, 58 patients (9.5%) in the dislocation cohort were diagnosed with patellofemoral arthritis, corresponding to a cumulative incidence of arthritis of 1.2% at 5 years, 2.7% at 10 years, 8.1% at 15 years, 14.8% at 20 years, and 48.9% at 25 years. In the control cohort, 8 patients (1.3%) were diagnosed with arthritis, corresponding to a cumulative incidence of arthritis of 0% at 5 years, 0% at 10 years, 1.3% at 15 years, 2.9% at 20 years, and 8.3% at 25 years. Therefore, patients who experienced a lateral patellar dislocation had a significantly higher risk of developing arthritis (hazard ratio [HR], 7.8; 95% CI, 3.9-17.6; P < .001) than individuals without a patellar dislocation. However, the risk of knee arthroplasty was similar between groups (HR, 2.8; 95% CI, 0.6-19.7; P = .2). Recurrent patellar dislocations (HR, 4.5; 95% CI, 1.6-12.6), osteochondral injury (HR, 11.3; 95% CI, 5.0-26.6), and trochlear dysplasia (HR, 3.6; 95% CI, 1.3-10.0) were associated with arthritis after patellar dislocation. Patellar dislocation is a significant risk factor for patellofemoral arthritis, as nearly half of patients have symptoms and radiographic changes consistent with arthritis at 25 years after lateral patellar dislocation. Osteochondral injury, recurrent patellar instability, and trochlear dysplasia are associated with the development of arthritis.

Structure-Property Relations in Aluminum-Lithium Alloys

DTIC Science & Technology

1989-01-01

adsorbed ( Mughrabi et al , 1983). Such dislocations could not re-enter the grain during the reverse cycle of stress and the associated slip would be...ASTM STP 601, ASTM, 33 Mughrabi , H., Wang, R., Differt, D., Essmann, U. (1983) ASTM STP 811, ASTM, 5 Muller, W. et al (1986) Aluminium-Lithium Alloys...behaviour of Al -Li-Cu-Mg-Zr alloys ...... 34 2.4 Mechanical behaviour ......................................... 35 2.4.1 Elastic modulus

Modeling Dislocations and Disclinations with Finite Micropolar Elastoplasticity

DTIC Science & Technology

2006-02-01

substructures on flow stress ( Mughrabi , 1983, 1988, 2001; Berveiller et al ., 1993; Zaiser, 1998). Meyers and co-workers (Meyers and Ashworth, 1982... al . / International Journal of Plasticity 22 (2006) 210–256 211order gradients of elastic or plastic parts of the total deformation gradient may alone...polycrystals (Hughes et al ., 1997, 2003; Kuhl- mann-Wilsdorf, 1999; Butler et al ., 2000; Barton and Dawson, 2001; Hughes, 2001; Leffers, 2001). Also measured

Fracture toughness of materials

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

Burns, S.J.

Crack tip dislocation emission in bulk specimens have been measured in single crystal specimens and the measurements are well below the accepted theoretical values for dislocation emission. The image forces on a dislocation due to the presence of a semi-infinite crack are used to calculate the potential energy of the dislocation around the crack. Expressions for the radial and tangential forces and for slip and climb forces have been found. Crack tip deformation in Mode I and Mode II fractures on both {l brace}100{r brace} and {l brace}110{r brace} planes have been observed in crystals of LiF. The deformation ismore » shown to nearly completely shield {l brace}110{r brace} plane cracks and prevent their propagation while deformation is less effective in shielding {l brace}100{r brace} plane cracks. The fracture toughness of MgO-partially-stabilized ZrO{sub 2} exhibiting transformation toughening been measured. The equations of linear elastic fracture mechanics have been self-consistantly formulated to include the residual displacement from the transformation wake. MgO single crystals were fatigued in plastic strain control at elevated temperatures. At high temperatures, dense bundles of dislocations were observed in transmission electron microscopy aligned perpendicular to the Burgers' vector directions. The thermodynamics of a superconducting second order phase transformation has been related to jumps in physical properties. A simple energy balance, without assuming an equation of state, is used to relate the rate of change of state variables to measurable physical properties. There are no preconceived assumptions about the superconducting mechanism.« less

Instant Variations in Velocity and Attenuation of Seismic Waves in a Friable Medium Under a Vibrational Dynamic Loading

NASA Astrophysics Data System (ADS)

Geza, N.; Yushin, V.

2007-12-01

Instant variations of the velocities and attenuation of seismic waves in a friable medium subjected to dynamic loading have been studied by new experimental techniques using a powerful seismic vibrator. The half-space below the operating vibrator baseplate was scanned by high-frequency elastic waves, and the recorded fluctuations were exposed to a stroboscopic analysis. It was found that the variations of seismic velocities and attenuation are synchronous with the external vibrational load but have phase shift from it. Instant variations of the seismic waves parameters depend on the magnitude and absolute value of deformation, which generally result in decreasing of the elastic-wave velocities. New experimental techniques have a high sensitivity to the dynamic disturbance in the medium and allow one to detect a weak seismic boundaries. The relaxation process after dynamic vibrational loading were investigated and the results of research are presented.

Relating stress models of magma emplacement to volcano-tectonic earthquakes

NASA Astrophysics Data System (ADS)

Vargas-Bracamontes, D.; Neuberg, J.

2007-12-01

Among the various types of seismic signals linked to volcanic processes, volcano-tectonic earthquakes are probably the earliest precursors of volcanic eruptions. Understanding their relationship with magma emplacement can provide insight into the mechanisms of magma transport at depth and assist in the ultimate goal of forecasting eruptions. Volcano-tectonic events have been observed to occur on faults that experience increases in Coulomb stress changes as the result of magma intrusions. To simulate stress changes associated with magmatic injections, we test different models of volcanic sources in an elastic half-space. For each source model, we look at several aspects that influence the stress conditions of the magmatic system such as the regional tectonic setting, the effect of varying the elastic parameters of the media, the evolution of the magma with time, as well as the volume and rheology of the ascending magma.

Mixed-mode fracture mechanics parameters of elliptical interface cracks in anisotropic bimaterials

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

Xue, Y.; Qu, J.

1999-07-01

Two-dimensional interface cracks in anisotropic bimaterials have been studied extensively in the literature. However, solutions to three-dimensional interface cracks in anisotropic bimaterials are not available, except for circular (penny-shaped) cracks. In this paper, an elliptical crack on the interface between two anisotropic elastic half-spaces is considered. A formal solution is obtained by using the Stroh method in two dimensional elasticity in conjunction with the Fourier transform method. To illustrate the solution procedure, an elliptical delamination in a cross-ply composite is solved. Numerical results of the stress intensity factors and energy release rate along the crack front are obtained terms ofmore » the interfacial matrix M. It is found that the fields near the crack front are often in mixed mode, due to material anisotropy and the three dimensional nature of the crack front.« less

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

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

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

1996-08-01

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

Collective behaviour of dislocations in a finite medium

NASA Astrophysics Data System (ADS)

Kooiman, M.; Hütter, M.; Geers, M. G. D.

2014-04-01

We derive the grand-canonical partition function of straight and parallel dislocation lines without making a priori assumptions on the temperature regime. Such a systematic derivation for dislocations has, to the best of our knowledge, not been carried out before, and several conflicting assumptions on the free energy of dislocations have been made in the literature. Dislocations have gained interest as they are the carriers of plastic deformation in crystalline materials and solid polymers, and they constitute a prototype system for two-dimensional Coulomb particles. Our microscopic starting level is the description of dislocations as used in the discrete dislocation dynamics (DDD) framework. The macroscopic level of interest is characterized by the temperature, the boundary deformation and the dislocation density profile. By integrating over state space, we obtain a field theoretic partition function, which is a functional integral of the Boltzmann weight over an auxiliary field. The Hamiltonian consists of a term quadratic in the field and an exponential of this field. The partition function is strongly non-local, and reduces in special cases to the sine-Gordon model. Moreover, we determine implicit expressions for the response functions and the dominant scaling regime for metals, namely the low-temperature regime.

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

NASA Astrophysics Data System (ADS)

Xu, Wen-Sheng; Zhang, Wen-Zheng

2018-01-01

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

Elastic constants and dynamics in nematic liquid crystals

NASA Astrophysics Data System (ADS)

Humpert, Anja; Allen, Michael P.

2015-09-01

In this paper, we present molecular dynamics calculations of the Frank elastic constants, and associated time correlation functions, in nematic liquid crystals. We study two variants of the Gay-Berne potential, and use system sizes of half a million molecules, significantly larger than in previous studies of elastic behaviour. Equilibrium orientational fluctuations in reciprocal (k-) space were calculated, to determine the elastic constants by fitting at low |k|; our results indicate that small system size may be a source of inaccuracy in previous work. Furthermore, the dynamics of the Gay-Berne nematic were studied by calculating time correlation functions of components of the order tensor, together with associated components of the velocity field, for a set of wave vectors k. Confirming our earlier work, we found exponential decay for splay and twist correlations, and oscillatory exponential decay for the bend correlation. In this work, we confirm similar behaviour for the corresponding velocity components. In all cases, the decay rates, and oscillation frequencies, were found to be accurately proportional to k2 for small k, as predicted by the equations of nematodynamics. However, the observation of oscillatory bend fluctuations, and corresponding oscillatory shear flow decay, is in contradiction to the usual assumptions appearing in the literature, and in standard texts. We discuss the advantages and drawbacks of using large systems in these calculations.

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

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

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

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

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

The application of an atomistic J-integral to a ductile crack.

PubMed

Zimmerman, Jonathan A; Jones, Reese E

2013-04-17

In this work we apply a Lagrangian kernel-based estimator of continuum fields to atomic data to estimate the J-integral for the emission dislocations from a crack tip. Face-centered cubic (fcc) gold and body-centered cubic (bcc) iron modeled with embedded atom method (EAM) potentials are used as example systems. The results of a single crack with a K-loading compare well to an analytical solution from anisotropic linear elastic fracture mechanics. We also discovered that in the post-emission of dislocations from the crack tip there is a loop size-dependent contribution to the J-integral. For a system with a finite width crack loaded in simple tension, the finite size effects for the systems that were feasible to compute prevented precise agreement with theory. However, our results indicate that there is a trend towards convergence.

A study of microindentation hardness tests by mechanism-based strain gradient plasticity

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

Huang, Y.; Xue, Z.; Gao, H.

2000-08-01

We recently proposed a theory of mechanism-based strain gradient (MSG) plasticity to account for the size dependence of plastic deformation at micron- and submicron-length scales. The MSG plasticity theory connects micron-scale plasticity to dislocation theories via a multiscale, hierarchical framework linking Taylor's dislocation hardening model to strain gradient plasticity. Here we show that the theory of MSG plasticity, when used to study micro-indentation, indeed reproduces the linear dependence observed in experiments, thus providing an important self-consistent check of the theory. The effects of pileup, sink-in, and the radius of indenter tip have been taken into account in the indentation model.more » In accomplishing this objective, we have generalized the MSG plasticity theory to include the elastic deformation in the hierarchical framework. (c) 2000 Materials Research Society.« less

Atomistic simulation of shocks in single crystal and polycrystalline Ta

NASA Astrophysics Data System (ADS)

Bringa, E. M.; Higginbotham, A.; Park, N.; Tang, Y.; Suggit, M.; Mogni, G.; Ruestes, C. J.; Hawreliak, J.; Erhart, P.; Meyers, M. A.; Wark, J. S.

2011-06-01

Non-equilibrium molecular dynamics (MD) simulations of shocks in Ta single crystals and polycrystals were carried out using up to 360 million atoms. Several EAM and FS type potentials were tested up to 150 GPa, with varying success reproducing the Hugoniot and the behavior of elastic constants under pressure. Phonon modes were studied to exclude possible plasticity nucleation by soft-phonon modes, as observed in MD simulations of Cu crystals. The effect of loading rise time in the resulting microstructure was studied for ramps up to 0.2 ns long. Dislocation activity was not observed in single crystals, unless there were defects acting as dislocation sources above a certain pressure. E.M.B. was funded by CONICET, Agencia Nacional de Ciencia y Tecnología (PICT2008-1325), and a Royal Society International Joint Project award.

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

PubMed

Muralidharan, Srevatsan; Haataja, Mikko

2010-09-17

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

Effect of dislocations on the open-circuit voltage, short-circuit current and efficiency of heteroepitaxial indium phosphide solar cells

NASA Technical Reports Server (NTRS)

Jain, Raj K.; Flood, Dennis J.

1990-01-01

Excellent radiation resistance of indium phosphide solar cells makes them a promising candidate for space power applications, but the present high cost of starting substrates may inhibit their large scale use. Thin film indium phosphide cells grown on Si or GaAs substrates have exhibited low efficiencies, because of the generation and propagation of large number of dislocations. Dislocation densities were calculated and its influence on the open circuit voltage, short circuit current, and efficiency of heteroepitaxial indium phosphide cells was studied using the PC-1D. Dislocations act as predominant recombination centers and are required to be controlled by proper transition layers and improved growth techniques. It is shown that heteroepitaxial grown cells could achieve efficiencies in excess of 18 percent AMO by controlling the number of dislocations. The effect of emitter thickness and surface recombination velocity on the cell performance parameters vs. dislocation density is also studied.

Causes and Prevention of Structural Materials Failures in Naval Environments.

DTIC Science & Technology

1984-01-01

atomic hydrogen as the first step; (iii) creation of elastic-plastic zones near the crack tip region due to movement of dislocations under applied...sodium tellurate is added to the charging solution. There is a dramatic drop in hydrogen permeation current due to the reduction of the tellurate ...effect of tellurium which has been deposited. Thus it has been shown that the tellurate ion, an electron acceptor, can delay the production of hydrogen

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

Skimboarding: a new danger in the surf?

PubMed Central

Williams, M R; Poulter, R J; Fern, E D

2006-01-01

Skimboarding is an increasingly popular activity on the beach. Over a six week period we saw 10 patients with fractures or dislocations, half of whom required operative intervention. The majority (80%) were of the lower limb, some of which were severe. PMID:16439745

A New Code for Calculating Post-seismic Displacements as Well as Geoid and Gravity Changes on a Layered Visco-Elastic Spherical Earth

NASA Astrophysics Data System (ADS)

Gao, Shanghua; Fu, Guangyu; Liu, Tai; Zhang, Guoqing

2017-03-01

Tanaka et al. (Geophys J Int 164:273-289, 2006, Geophys J Int 170:1031-1052, 2007) proposed the spherical dislocation theory (SDT) in a spherically symmetric, self-gravitating visco-elastic earth model. However, to date there have been no reports on easily adopted, widely used software that utilizes Tanaka's theory. In this study we introduce a new code to compute post-seismic deformations (PSD), including displacements as well as Geoid and gravity changes, caused by a seismic source at any position. This new code is based on the above-mentioned SDT. The code consists of two parts. The first part is the numerical frame of the dislocation Green function (DGF), which contains a set of two-dimensional discrete numerical frames of DGFs on a symmetric earth model. The second part is an integration function, which performs bi-quadratic spline interpolation operations on the frame of DGFs. The inputs are the information on the seismic fault models and the information on the observation points. After the user prepares the inputs in a file with given format, the code will automatically compute the PSD. As an example, we use the new code to calculate the co-seismic displacements caused by the Tohoku-Oki Mw 9.0 earthquake. We compare the result with observations and the result from a full-elastic SDT, and we found that the Root Mean Square error between the calculated and observed results is 7.4 cm. This verifies the suitability of our new code. Finally, we discuss several issues that require attention when using the code, which should be helpful for users.

Modeling of dislocation channel width evolution in irradiated metals

DOE PAGES

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

2017-11-08

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

Modeling of dislocation channel width evolution in irradiated metals

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Modeling of dislocation channel width evolution in irradiated metals

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

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

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

[Persistence of the primordial vitreous body and buphthalmos].

PubMed

Cernea, P; Simionescu, C; Bosun, I

1995-01-01

Persistence of the hyperplasic primordial vitreous body is determined by a deletion of embryonal development of the vitreous body and of the hyaloid vascular system. Infant aged 3.5 years presents persistence of primordial vitreous body with crystalline dislocation in the camera aquosa and secondary buphthalmos of the left eye and microphthalmos with dislocation of the crystalline in the vitreous body of the right eye. At the back of the right eye we noticed a whitish mass, richly vascularized with vestiges from the hyaloid artery, but the posterior half of the vitreous cavity is filled with microscopic blood; the fibrovascular membrane is made of conjunctive tissue set in parallel layers and vessels with macrolipophagic degeneration. Microscopic investigation of retina reveals glial hyperplasia zones in the neighbourhood of the vitreous body. In the present paper the authors show the persistence of the primordial vitreous body in the left eye and bilateral dislocation of the crystalline, revealing multiple ocular malformations.

Materials science in pre-plated leadframes for electronic packages

NASA Astrophysics Data System (ADS)

Liu, Lilin

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

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

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.

Elasticity and anelasticity of microcrystalline aluminum samples having various deformation and thermal histories

NASA Astrophysics Data System (ADS)

Betekhtin, V. I.; Kadomtsev, A. G.; Kardashev, B. K.

2006-08-01

The effect of the amplitude of vibrational deformation on the elastic modulus and internal friction of microcrystalline aluminum samples produced by equal-channel angular pressing was studied. The samples have various deformation and thermal histories. The elastic and inelastic (microplastic) properties of the samples are investigated. As the degree of plastic deformation increases, the Young’s modulus E, the amplitude-independent decrement δi, and the microplastic flow stress σ increase. As the annealing temperature increases, the quantities δi and σ decrease noticeably and the modulus E exhibits a more complex behavior. The experimental data are discussed under the assumption that the dislocation mobility depends on both the spectrum of point defects and the internal stresses, whose level is determined by the degree of plastic deformation and the temperature of subsequent annealing. The concept of internal stresses is also used to analyze the data on the effect of the degree of deformation and annealing on the rupture strength of the samples.

Observation on the transformation domains of super-elastic NiTi shape memory alloy and their evolutions during cyclic loading

NASA Astrophysics Data System (ADS)

Xie, Xi; Kan, Qianhua; Kang, Guozheng; Li, Jian; Qiu, Bo; Yu, Chao

2016-04-01

The strain field of a super-elastic NiTi shape memory alloy (SMA) and its variation during uniaxial cyclic tension-unloading were observed by a non-contact digital image correlation method, and then the transformation domains and their evolutions were indirectly investigated and discussed. It is seen that the super-elastic NiTi (SMA) exhibits a remarkable localized deformation and the transformation domains evolve periodically with the repeated cyclic tension-unloading within the first several cycles. However, the evolutions of transformation domains at the stage of stable cyclic transformation depend on applied peak stress: when the peak stress is low, no obvious transformation band is observed and the strain field is nearly uniform; when the peak stress is large enough, obvious transformation bands occur due to the residual martensite caused by the prevention of enriched dislocations to the reverse transformation from induced martensite to austenite. Temperature variations measured by an infrared thermal imaging method further verifies the formation and evolution of transformation domains.

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.

Strain relaxation in (0001) AlN/GaN heterostructures

NASA Astrophysics Data System (ADS)

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

2001-06-01

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

The comparison of microstructures and mechanical properties between 14Cr-Al and 14Cr-Ti ferritic ODS alloys

DOE PAGES

Zhang, Guangming; Zhou, Zhangjian; Mo, Kun; ...

2016-03-03

In this study, two kinds of 14Cr ODS alloys (14Cr-Al and 14Cr-Ti) were investigated to reveal the different effects between Al and Ti on the microstructures and mechanical properties of 14Cr ferritic ODS alloys. The microstructure information such as grains, minor phases of these two alloys has been investigated by high-energy X-ray diffraction and transmission electron microscopy (TEM). The in situ synchrotron X-ray diffraction tensile test was applied to investigate the mechanical properties of these two alloys. The lattice strains of different phases through the entire tensile deformation process in these two alloys were analyzed to calculate their elastic stresses.more » From the comparison of elastic stress, the strengthening capability of Y 2Ti 2O 7 is better than TiN in 14Cr-Ti, and the strengthening capability of YAH is much better than YAM and AlN in 14Cr-Al ODS. The dislocation densities of 14Cr-Ti and 14Cr-Al ODS alloys during tensile deformation were also examined by modified Williamson-Hall analyses of peak broadening, respectively. In conclusion, the different increasing speed of dislocation density with plastic deformation reveals the better strengthening effect of Y-Ti-O particles in 14Cr-Ti ODS than that of Y-Al-O particles in 14Cr-Al ODS alloy.« less

Grain-size-yield stress relationship: Analysis and computation

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

Meyers, M.A.; Benson, D.J.; Fu, H.H.

1999-07-01

The seminal contributions of Julia Weertman to the understanding of the mechanical properties of nanocrystalline materials will be briefly outlined. A constitutive equation predicting the effect of grain size on the yield stress of metals, based on the model proposed by M.A. Meyers and E. Ashworth, is discussed and extended to the nanocrystalline regime. At large grain sizes, it has the Hall-Petch form, and in the nanocrystalline domain the slope gradually decreases until it asymptotically approaches the flow stress of the grain boundaries. The material is envisaged as a composite, comprised of the grain interior, with flow stress {sigma}{sub fB},more » and grain boundary work-hardened layer, with flow stress {sigma}{sub fGB}. Three principal factors contribute to the grain-boundary hardening: (1) the grain boundaries act as barriers to plastic flow; (2) the grain boundaries act as dislocation sources; and (3) elastic anisotropy causes additional stresses in grain-boundary surroundings. The predictions of this model are compared with experimental measurements over the mono, micro, and nanocrystalline domains. Computational predictions are made of plastic flow as a function of grain size incorporating elastic and plastic anisotropy as well as differences of dislocation accumulation rate in grain boundary regions and grain interiors. This is the first plasticity calculation that accounts for grain size effects in a physically-based manner. 58 refs., 7 figs., 1 tab.« less

Dislocation models of interseismic deformation in the western United States

USGS Publications Warehouse

Pollitz, F.F.; McCrory, P.; Svarc, J.; Murray, J.

2008-01-01

The GPS-derived crustal velocity field of the western United States is used to construct dislocation models in a viscoelastic medium of interseismic crustal deformation. The interseismic velocity field is constrained by 1052 GPS velocity vectors spanning the ???2500-km-long plate boundary zone adjacent to the San Andreas fault and Cascadia subduction zone and extending ???1000 km into the plate interior. The GPS data set is compiled from U.S. Geological Survey campaign data, Plate Boundary Observatory data, and the Western U.S. Cordillera velocity field of Bennett et al. (1999). In the context of viscoelastic cycle models of postearthquake deformation, the interseismic velocity field is modeled with a combination of earthquake sources on ???100 known faults plus broadly distributed sources. Models that best explain the observed interseismic velocity field include the contributions of viscoelastic relaxation from faulting near the major plate margins, viscoelastic relaxation from distributed faulting in the plate interior, as well as lateral variations in depth-averaged rigidity in the elastic lithosphere. Resulting rigidity variations are consistent with reduced effective elastic plate thickness in a zone a few tens of kilometers wide surrounding the San Andreas fault (SAF) system. Primary deformation characteristics are captured along the entire SAF system, Eastern California Shear Zone, Walker Lane, the Mendocino triple junction, the Cascadia margin, and the plate interior up to ???1000 km from the major plate boundaries.

The crack problem for a half plane stiffened by elastic cover plates

NASA Technical Reports Server (NTRS)

Delale, F.; Erdogan, F.

1981-01-01

An elastic half plane containing a crack and stiffened by a cover plate is discussed. The asymptotic nature of the stress state in the half plane around an end point of the stiffener to determine the likely orientation of a possible fracture initiation and growth was studied. The problem is formulated for an arbitrary oriented radial crack in a system of singular integral equations. For an internal crack and for an edge crack, the problem is solved and the stress intensity factors at the crack tips and the interface stress are calculated. A cracked half plane with two symmetrically located cover plates is also considered. It is concluded that the case of two stiffeners appears to be more severe than that of a single stiffener.

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.

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

Lattice-level observation of the elastic-to-plastic relaxation process with subnanosecond resolution in shock-compressed Ta using time-resolved in situ Laue diffraction

DOE PAGES

Wehrenberg, C. E.; Comley, A. J.; Barton, N. R.; ...

2015-09-29

We report direct lattice level measurements of plastic relaxation kinetics through time-resolved, in-situ Laue diffraction of shock-compressed single-crystal [001] Ta at pressures of 27-210 GPa. For a 50 GPa shock, a range of shear strains is observed extending up to the uniaxial limit for early data points (<0.6 ns) and the average shear strain relaxes to a near steady state over ~1 ns. For 80 and 125 GPa shocks, the measured shear strains are fully relaxed already at 200 ps, consistent with rapid relaxation associated with the predicted threshold for homogeneous nucleation of dislocations occurring at shock pressure ~65 GPa.more » The relaxation rate and shear stresses are used to estimate the dislocation density and these quantities are compared to the Livermore Multiscale Strength model as well as various molecular dynamics simulations.« 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

Dislocation-free strained silicon-on-silicon by in-place bonding

NASA Astrophysics Data System (ADS)

Cohen, G. M.; Mooney, P. M.; Paruchuri, V. K.; Hovel, H. J.

2005-06-01

In-place bonding is a technique where silicon-on-insulator (SOI) slabs are bonded by hydrophobic attraction to the underlying silicon substrate when the buried oxide is undercut in dilute HF. The bonding between the exposed surfaces of the SOI slab and the substrate propagates simultaneously with the buried oxide etching. As a result, the slabs maintain their registration and are referred to as "bonded in-place". We report the fabrication of dislocation-free strained silicon slabs from pseudomorphic trilayer Si/SiGe/SOI by in-place bonding. Removal of the buried oxide allows the compressively strained SiGe film to relax elastically and induce tensile strain in the top and bottom silicon films. The slabs remain bonded to the substrate by van der Waals forces when the wafer is dried. Subsequent annealing forms a covalent bond such that when the upper Si and the SiGe layer are removed, the bonded silicon slab remains strained.

Characteristics of Viscoelastic Crustal Deformation Following a Megathrust Earthquake: Discrepancy Between the Apparent and Intrinsic Relaxation Time Constants

NASA Astrophysics Data System (ADS)

Fukahata, Yukitoshi; Matsu'ura, Mitsuhiro

2018-02-01

The viscoelastic deformation of an elastic-viscoelastic composite system is significantly different from that of a simple viscoelastic medium. Here, we show that complicated transient deformation due to viscoelastic stress relaxation after a megathrust earthquake can occur even in a very simple situation, in which an elastic surface layer (lithosphere) is underlain by a viscoelastic substratum (asthenosphere) under gravity. Although the overall decay rate of the system is controlled by the intrinsic relaxation time constant of the asthenosphere, the apparent decay time constant at each observation point is significantly different from place to place and generally much longer than the intrinsic relaxation time constant of the asthenosphere. It is also not rare that the sense of displacement rate is reversed during the viscoelastic relaxation. If we do not bear these points in mind, we may draw false conclusions from observed deformation data. Such complicated transient behavior can be explained mathematically from the characteristics of viscoelastic solution: for an elastic-viscoelastic layered half-space, the viscoelastic solution is expressed as superposition of three decaying components with different relaxation time constants that depend on wavelength.

Wave Geometry: a Plurality of Singularities

NASA Astrophysics Data System (ADS)

Berry, M. V.

Five interconnected wave singularities are discussed: phase monopoles, at eigenvalue degeneracies in parameter space, where the 2-form generating the geomeeic phase is singular, phase dislocations, at zeros of complex wavefunctions in position space, where different wavefronts (surfaces of constant phase) meet; caustics, that is envelopes (foci) of families of classical paths or geometrical rays, where real rays are born violently and which are complementary to dislocations; Stokes sets, at which a complex ray is born gently where it is maximally dominated by another ray; and complex degeneracies, which are the sources of adiabatic quantum transtions in analytic Hamiltonians.

'Hella Ghetto!': (Dis)locating Race and Class Consciousness in Youth Discourses of Ghetto Spaces, Subjects and Schools.

PubMed

Sung, Kenzo K

Based on analysis of interviews conducted during 2008-2009 in Oakland, California, this paper examines how narratives of inner-city youth reinforce and destabilize mainstream conceptions of 'ghetto.' The paper demonstrates that inner-city youth discourses regarding 'ghetto' spaces, subjects and schools often exemplify a consciousness informed by both counter-hegemonic insights and internalized psychological trauma. In other words, the interviewed youth reconstitute the term 'ghetto' to signify structural and cultural processes of dislocation occurring in their neighborhood through narratives characterized by contradiction. This finding is significant because it questions how to analyze non-white narratives and offers 'dislocated consciousness' as an interpretive lens grounded in the contradictions of subaltern consciousness theorized by W.E.B. Dubois, Frantz Fanon and Antonio Gramsci. By developing the concept of 'dislocation' to illuminate how such youth negotiate, resist and internalize the material and ideological structures that condition their existence, this study contributes to the existing literature on race and class consciousness of urban youth. The paper concludes by exploring how strategies urban youth utilize to come to terms with their lives can provide new understandings of urban communities and schooling.

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.

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

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

Shutthanandan, Vaithiyalingam; Choudhury, Samrat; Manandhar, Sandeep

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

Septic shoulder presenting as a shoulder dislocation in the pediatric patient: a case report.

PubMed

Maguire, Kathleen J; Otsuka, Norman Y

2017-05-01

Shoulder dislocation is relatively uncommon in the younger pediatric population. Because of the relative strength of the surrounding soft tissue structures of the shoulder compared with the proximal humeral physis, subluxation or dislocation resulting from a traumatic event or application of force is rare and instead a proximal humeral physeal injury occurs. Case presentation - We present a 5-year-old male who presented to the office with post-traumatic left shoulder pain for about 1 week. Radiographs of the left shoulder indicated inferior subluxation of the humeral head. He was ultimately diagnosed and treated for a septic shoulder. Septic arthritis of the glenohumeral joint accounts for about 3% of all septic arthritis cases. About half of the pediatric patients with a septic arthritis will present with a concomitant osteomyelitis about the joint involved. Widening of the glenohumeral joint and subluxation clinically as well as radiographically have been described in cases of large joint effusions because of an increase in intra-articular fluid in adults. This inferior subluxation is often noted without a frank dislocation. The case described in this report is unique in that this is the first to describe a pediatric septic shoulder presenting as a shoulder subluxation. Given the rarity of pediatric shoulder dislocations and subluxations, the pediatric orthopaedist and pediatrician should maintain a suspicion for a septic joint. Level V.

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

DOE PAGES

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

2017-04-24

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

CSI related dynamics and control issues in space robotics

NASA Technical Reports Server (NTRS)

Schmitz, Eric; Ramey, Madison

1993-01-01

The research addressed includes: (1) CSI issues in space robotics; (2) control of elastic payloads, which includes 1-DOF example, and 3-DOF harmonic drive arm with elastic beam; and (3) control of large space arms with elastic links, which includes testbed description, modeling, and experimental implementation of colocated PD and end-point tip position controllers.

Nonlinear acoustics and honeycomb materials

NASA Astrophysics Data System (ADS)

Thompson, D. O.

2012-05-01

The scope of research activity that Bruce Thompson embraced was very large. In this talk three different research topics that the author shared with Bruce are reviewed. They represent Bruce's introduction to NDE and include nonlinear acoustics, nondestructive measurements of adhesive bond strengths in honeycomb panels, and studies of flexural wave dispersion in honeycomb materials. In the first of these, four harmonics of a 30 Mhz finite amplitude wave were measured for both fused silica and aluminum single crystals with varying lengths and amounts of cold work using a capacity microphone with heterodyne receiver with a flat frequency response from 30 to 250 Mhz. The results for fused silica with no dislocation structure could be described by a model due to Fubini, originally developed for gases, that depends upon only the second and third order elastic constants and not the fourth and higher order constants. The same was not true for the aluminum with dislocation structures. These results raised some questions about models for harmonic generation in materials with dislocations. In the second topic, experiments were made to determine the adhesive bond strengths of honeycomb panels using the vibrational response of the panels (Chladni figures). The results showed that both the damping characteristics of panel vibrations as a whole and velocity of propagation of elastic waves that travel along the surface and sample the bondline can be correlated with destructively determined bond strengths. Finally, the phase velocity of flexural waves traveling along a 1-inch honeycomb sandwich panel was determined from 170 Hz to 50 Khz, ranging from 2.2×104 cm/sec at the low end to 1.18×105 cm/sec at 40 Khz. The dispersion arises from the finite thickness of the panel and agreed with the results of continuum models for the honeycomb. Above 40 Khz, this was not the case. The paper concludes with a tribute to Bruce for his many wonderful contributions and lessons beyond his technical legacy for all of us.

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

Modelling induced seismicity due to fluid injection

NASA Astrophysics Data System (ADS)

Murphy, S.; O'Brien, G. S.; Bean, C. J.; McCloskey, J.; Nalbant, S. S.

2011-12-01

Injection of fluid into the subsurface alters the stress in the crust and can induce earthquakes. The science of assessing the risk of induced seismicity from such ventures is still in its infancy despite public concern. We plan to use a fault network model in which stress perturbations due to fluid injection induce earthquakes. We will use this model to investigate the role different operational and geological factors play in increasing seismicity in a fault system due to fluid injection. The model is based on a quasi-dynamic relationship between stress and slip coupled with a rate and state fiction law. This allows us to model slip on fault interfaces over long periods of time (i.e. years to 100's years). With the use of the rate and state friction law the nature of stress release during slipping can be altered through variation of the frictional parameters. Both seismic and aseismic slip can therefore be simulated. In order to add heterogeneity along the fault plane a fractal variation in the frictional parameters is used. Fluid injection is simulated using the lattice Boltzmann method whereby pore pressure diffuses throughout a permeable layer from the point of injection. The stress perturbation this causes on the surrounding fault system is calculated using a quasi-static solution for slip dislocation in an elastic half space. From this model we can generate slip histories and seismicity catalogues covering 100's of years for predefined fault networks near fluid injection sites. Given that rupture is a highly non-linear process, comparison between models with different input parameters (e.g. fault network statistics and injection rates) will be based on system wide features (such as the Gutenberg-Richter b-values), rather than specific seismic events. Our ultimate aim is that our model produces seismic catalogues similar to those observed over real injection sites. Such validation would pave the way to probabilistic estimation of reactivation risk for injection sites using such models. Preliminary results from this model will be presented.

A clinical study of space closure with nickel-titanium closed coil springs and an elastic module.

PubMed

Samuels, R H; Rudge, S J; Mair, L H

1998-07-01

A previous study has shown that a 150-gram nickel-titanium closed coil spring (Sentalloy, GAC International Inc.) closed spaces more quickly and more consistently than an elastic module (Alastik, Unitec/3M). This study used the same friction sensitive sliding mechanics of pitting the six anterior teeth against the second bicuspid and first molars, to examine the rate of space closure of 100-gram and 200-gram nickel-titanium closed coil springs. The results for the three springs and elastic module were compared. The nickel-titanium closed coil springs produced a more consistent space closure than the elastic module. The 150- and 200-gram springs produced a faster rate of space closure than the elastic module or the 100-gram spring. No significant difference was noted between the rates of closure for the 150- and the 200-gram springs.

Applications of Real Space Crystallography in Characterization of Dislocations in Geological Materials in a Scanning Electron Microscope (SEM)

NASA Astrophysics Data System (ADS)

Kaboli, S.; Burnley, P. C.

2017-12-01

Imaging and characterization of defects in crystalline materials is of significant importance in various disciplines including geoscience, materials science, and applied physics. Linear defects such as dislocations and planar defects such as twins and stacking faults, strongly influence many of the properties of crystalline materials and also reflect the conditions and degree of deformation. Dislocations have been conventionally imaged in thin foils in a transmission electron microscope (TEM). Since the development of field emission scanning electron microscopes (FE-SEM) with high gun brightness and small spot size, extensive efforts have been dedicated to the imaging and characterization of dislocations in semi-conductors using electron channeling contrast imaging (ECCI) in the SEM. The obvious advantages of using SEM over TEM include easier and non-destructive sample preparation and a large field of view enabling statistical examination of the density and distribution of dislocations and other defects. In this contribution, we extend this technique to geological materials and introduce the Real Space Crystallography methodology for imaging and complete characterization of dislocations based on bend contour contrast obtained by ECCI in FE-SEM. Bend contours map out the distortion in the crystal lattice across a deformed grain. The contrast of dislocations is maximum in the vicinity of bend contours where crystal planes diffract at small and positive deviations from the Bragg positions (as defined by Bragg's law of electron diffraction). Imaging is performed in a commercial FE-SEM equipped with a standard silicon photodiode backscattered (BSE) detector and an electron backscatter diffraction (EBSD) system for crystal orientation measurements. We demonstrate the practice of this technique in characterization of a number of geological materials in particular quartz, forsterite olivine and corundum, experimentally deformed at high pressure-temperature conditions. This new approach in microstructure characterization of deformed geologic materials in FE-SEM, without the use of etching or decoration techniques, has valuable applications to both experimentally deformed and naturally deformed specimens.

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

NASA Astrophysics Data System (ADS)

Jiang, Hao

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

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.

In situ straining investigation of slip transfer across α2 lamellae at room temperature in a lamellar TiAl alloy

NASA Astrophysics Data System (ADS)

Singh, J. B.; Molénat, G.; Sundararaman, M.; Banerjee, S.; Saada, G.; Veyssière, P.; Couret, A.

2006-01-01

Processes by which deformation spreads throughout a lamellar TiAl alloy have been investigated by in situ tensile experiments performed at room temperature in a transmission electron microscope. Several situations are found and analysed in which dislocations cross the ?/a2 interfaces and the a2 lamellae - the hard phase of the structure. Conditions by which strain transfer can be elastically mediated across sufficiently thin a2 lamellae are discussed.

Size effects of primary/secondary twins on the atomistic deformation mechanisms in hierarchically nanotwinned metals

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

Yuan, Fuping; Wu, Xiaolei

2013-05-28

A series of large-scale molecular dynamics simulations have been performed to investigate the tensile properties of nanotwinned (NT) copper with hierarchically twinned structures (HTS). For the same grain size d and the same spacing of primary twins {lambda}{sub 1}, the average flow stress first increases as the spacing of secondary twins {lambda}{sub 2} decreases, reaching a maximum at a critical {lambda}{sub 2}, and then decreases as {lambda}{sub 2} becomes even smaller. The smaller the spacing for {lambda}{sub 1}, the smaller the critical spacing for {lambda}{sub 2}. There exists a transition in dominating deformation mechanisms, occurring at a critical spacing ofmore » {lambda}{sub 2} for which strength is maximized. Above the critical spacing of {lambda}{sub 2}, the deformation mechanisms are dominated by the two Hall-Petch type strengthening mechanisms: (a) partial dislocations emitted from grain boundaries (GBs) travel across other GBs and twin boundaries (TBs); (b) partial dislocations emitted from TBs travel across other TBs. Below the critical spacing of {lambda}{sub 2}, the deformation mechanism is dominated by the two softening mechanisms: (a) Partial dislocations emitted from boundaries of the primary twins travel parallel to the TBs of the secondary twins, leading to detwinning of the secondary twins; (b) Boundaries of the primary twins shift entirely, leading to thickening in one part of primary twins and thinning in the other part of primary twins. The present results should provide insights to design the microstructures for reinforcing the mechanical properties in the NT metals with HTS.« less

Evidence for age-dependent air-space enlargement contributing to loss of lung tissue elastic recoil pressure and increased shear modulus in older age.

PubMed

Subramaniam, K; Kumar, H; Tawhai, M H

2017-07-01

As a normal part of mature aging, lung tissue undergoes microstructural changes such as alveolar air-space enlargement and redistribution of collagen and elastin away from the alveolar duct. The older lung also experiences an associated decrease in elastic recoil pressure and an increase in specific tissue elastic moduli, but how this relates mechanistically to microstructural remodeling is not well-understood. In this study, we use a structure-based mechanics analysis to elucidate the contributions of age-related air-space enlargement and redistribution of elastin and collagen to loss of lung elastic recoil pressure and increase in tissue elastic moduli. Our results show that age-related geometric changes can result in reduction of elastic recoil pressure and increase in shear and bulk moduli, which is consistent with published experimental data. All elastic moduli were sensitive to the distribution of stiffness (representing elastic fiber density) in the alveolar wall, with homogenous stiffness near the duct and through the septae resulting in a more compliant tissue. The preferential distribution of elastic proteins around the alveolar duct in the healthy young adult lung therefore provides for a more elastic tissue. NEW & NOTEWORTHY We use a structure-based mechanics analysis to correlate air-space enlargement and redistribution of elastin and collagen to age-related changes in the mechanical behavior of lung parenchyma. Our study highlights that both the cause (redistribution of elastin and collagen) and the structural effect (alveolar air-space enlargement) contribute to decline in lung tissue elastic recoil with age; these results are consistent with published data and provide a new avenue for understanding the mechanics of the older lung. Copyright © 2017 the American Physiological Society.

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

NASA Astrophysics Data System (ADS)

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

2012-02-01

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

Surface wave energy absorption by a partially submerged bio-inspired canopy.

PubMed

Nové-Josserand, C; Castro Hebrero, F; Petit, L-M; Megill, W M; Godoy-Diana, R; Thiria, B

2018-03-27

Aquatic plants are known to protect coastlines and riverbeds from erosion by damping waves and fluid flow. These flexible structures absorb the fluid-borne energy of an incoming fluid by deforming mechanically. In this paper we focus on the mechanisms involved in these fluid-elasticity interactions, as an efficient energy harvesting system, using an experimental canopy model in a wave tank. We study an array of partially-submerged flexible structures that are subjected to the action of a surface wave field, investigating in particular the role of spacing between the elements of the array on the ability of our system to absorb energy from the flow. The energy absorption potential of the canopy model is examined using global wave height measurements for the wave field and local measurements of the elastic energy based on the kinematics of each element of the canopy. We study different canopy arrays and show in particular that flexibility improves wave damping by around 40%, for which half is potentially harvestable.

Root finding in the complex plane for seismo-acoustic propagation scenarios with Green's function solutions.

PubMed

McCollom, Brittany A; Collis, Jon M

2014-09-01

A normal mode solution to the ocean acoustic problem of the Pekeris waveguide with an elastic bottom using a Green's function formulation for a compressional wave point source is considered. Analytic solutions to these types of waveguide propagation problems are strongly dependent on the eigenvalues of the problem; these eigenvalues represent horizontal wavenumbers, corresponding to propagating modes of energy. The eigenvalues arise as singularities in the inverse Hankel transform integral and are specified by roots to a characteristic equation. These roots manifest themselves as poles in the inverse transform integral and can be both subtle and difficult to determine. Following methods previously developed [S. Ivansson et al., J. Sound Vib. 161 (1993)], a root finding routine has been implemented using the argument principle. Using the roots to the characteristic equation in the Green's function formulation, full-field solutions are calculated for scenarios where an acoustic source lies in either the water column or elastic half space. Solutions are benchmarked against laboratory data and existing numerical solutions.

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

Point force and point electric charge applied to the boundary of three-dimensional anisotropic piezoelectric solid

DOE PAGES

Borovikov, V. A.; Kalinin, S. V.; Khavin, Yu.; ...

2015-08-19

We derive the Green's functions for a three-dimensional semi-infinite fully anisotropic piezoelectric material using the plane wave theory method. The solution gives the complete set of electromechanical fields due to an arbitrarily oriented point force and a point electric charge applied to the boundary of the half-space. Moreover, the solution constitutes generalization of Boussinesq's and Cerruti's problems of elastic isotropy for the anisotropic piezoelectric materials. On the example of piezoceramics PZT-6B, the present results are compared with the previously obtained solution for the special case of transversely isotropic piezoelectric solid subjected to the same boundary condition.

Opening of an interface flaw in a layered elastic half-plane under compressive loading

NASA Technical Reports Server (NTRS)

Kennedy, J. M.; Fichter, W. B.; Goree, J. G.

1984-01-01

A static analysis is given of the problem of an elastic layer perfectly bonded, except for a frictionless interface crack, to a dissimilar elastic half-plane. The free surface of the layer is loaded by a finite pressure distribution directly over the crack. The problem is formulated using the two dimensional linear elasticity equations. Using Fourier transforms, the governing equations are converted to a pair of coupled singular integral equations. The integral equations are reduced to a set of simultaneous algebraic equations by expanding the unknown functions in a series of Jacobi polynomials and then evaluating the singular Cauchy-type integrals. The resulting equations are found to be ill-conditioned and, consequently, are solved in the least-squares sense. Results from the analysis show that, under a normal pressure distribution on the free surface of the layer and depending on the combination of geometric and material parameters, the ends of the crack can open. The resulting stresses at the crack-tips are singular, implying that crack growth is possible. The extent of the opening and the crack-top stress intensity factors depend on the width of the pressure distribution zone, the layer thickness, and the relative material properties of the layer and half-plane.

Severe valgus deformity of the knee with permanent patellar dislocation associated with melorheostosis: a case report and review of the literature.

PubMed

Kitta, Yuki; Niki, Yasuo; Udagawa, Kazuhiko; Enomoto, Hiroyuki; Toyama, Yoshiaki; Suda, Yasunori

2014-03-01

We present a case of an 8-year-old boy diagnosed with melorheostosis who was suffering from severe genu valgum, permanent dislocation of the patella, knee flexion contracture and leg length shortening. Soft tissue contracture of the limb and subsequent joint deformities were reported to represent clinical manifestations of pediatric melorheostosis. As the epiphyseal plate had not closed, patellar reduction was achieved by soft tissue surgical stabilization, including lateral retinacular release, medial retinaculum plication, and transfer of the lateral half of the patellar tendon. At 4 years postoperatively, as a result of improved limb alignment and knee flexion contracture, the leg length shortening has improved, and the patient does not limp and participates in sports activities. Surgical intervention should be performed as early as possible, because genu valgum and external rotation of the tibia may deteriorate with age, rendering the patellar dislocation irreversible in patients with melorheostosis before epiphyseal closure. Copyright © 2012 Elsevier B.V. All rights reserved.

On the propagation of elasto-thermodiffusive surface waves in heat-conducting materials

NASA Astrophysics Data System (ADS)

Sharma, J. N.; Sharma, Y. D.; Sharma, P. K.

2008-09-01

The present paper deals with the study of the propagation of Rayleigh surface waves in homogeneous isotropic, thermodiffusive elastic half-space. After developing the formal solution of the model, the secular equations for stress free, thermally insulated or isothermal, and isoconcentrated boundary conditions of the half-space have been obtained. The secular equations have been solved by using irreducible Cardano's method with the help of DeMoivre's theorem in order to obtain phase velocity and attenuation coefficient of waves under consideration. The motion of the surface particles during the Rayleigh surface wave propagation is also discussed and found to be elliptical in general. The inclinations of wave normal with the major axis of the elliptical path of a typical particle have also been computed. Finally, the numerically simulated results regarding phase velocity, attenuation coefficient, specific loss and thermo-mechanical coupling factors of thermoelastic diffusive waves have been obtained and presented graphically. Some very interesting and useful characteristics of surface acoustic waves have been obtained, which may help in improving the fabrication quality of optical and electronic devices in addition to construction and design of materials such as semiconductors and composite structures. Therefore, this work finds applications in the geophysics and electronics industry.

Flow Interpretation Implications for Poro-Elastic Modeling

DTIC Science & Technology

2010-06-01

interpretation of acoustical inversions based on poro-elastic models . I. INTRODUCTION Poro-elastic models for acoustic propagation in sediments arose out of the...porous solid. ii. higher freqency range, J. Acoust . Soc. America, 28, 179– 191, 1956. [11] Bear, J., and Y. Bachmat (Eds.), Introduction to Modeling of...Flow interpretation implications for Poro-Elastic Modeling James K. Fulford Naval Research Laboratory Stennis Space Center Stennis Space Center

Elastic Moduli of Pyrolytic Boron Nitride Measured Using 3-Point Bending and Ultrasonic Testing

NASA Technical Reports Server (NTRS)

Kaforey, M. L.; Deeb, C. W.; Matthiesen, D. H.; Roth, D. J.

1999-01-01

Three-point bending and ultrasonic testing were performed on a flat plate of PBN. In the bending experiment, the deformation mechanism was believed to be shear between the pyrolytic layers, which yielded a shear modulus, c (sub 44), of 2.60 plus or minus .31 GPa. Calculations based on the longitudinal and shear wave velocity measurements yielded values of 0.341 plus or minus 0.006 for Poisson's ratio, 10.34 plus or minus .30 GPa for the elastic modulus (c (sub 33)), and 3.85 plus or minus 0.02 GPa for the shear modulus (c (sub 44)). Since free basal dislocations have been reported to affect the value of c (sub 44) found using ultrasonic methods, the value from the bending experiment was assumed to be the more accurate value.

Band-Like Behavior of Localized States of Metal Silicide Precipitate in Silicon

NASA Astrophysics Data System (ADS)

Bondarenko, Anton; Vyvenko, Oleg

2018-03-01

Deep-level transient spectroscopy (DLTS) investigations of energy levels of charge-carrier traps associated with precipitates of metal silicide often show that they behave not like localized monoenergetic traps but as a continuous density of allowed states in the bandgap with fast carrier exchange between these states, so-called band-like behavior. This kind of behavior was ascribed to the dislocation loop bounding the platelet, which in addition exhibits an attractive potential caused by long-range elastic strain. In previous works, the presence of the dislocation-related deformation potential in combination with the external electric field of the Schottky diode was included to obtain a reasonable fit of the proposed model to experimental data. Another well-known particular property of extended defects—the presence of their own strong electric field in their vicinity that is manifested in the logarithmic kinetics of electron capture—was not taken into account. We derive herein a theoretical model that takes into account both the external electric field and the intrinsic electric field of dislocation self-charge as well as its deformation potential, which leads to strong temporal variation of the activation energy during charge-carrier emission. We performed numerical simulations of the DLTS spectra based on such a model for a monoenergetic trap, finding excellent agreement with available experimental data.

Dislocation Onset and Glide in Carbon Nanotubes under Torsion

NASA Astrophysics Data System (ADS)

Dumitrica, Traian; Zhang, Dong-Bo; James, Richard

2009-03-01

The torsional plastic response of carbon nanotubes is comprehensively described in the objective molecular dynamics framework [1-3]. It is shown that an (n,m) tube is prone to slip along a nearly-axial helical path, which introduces a distinct (+1,-1) change in the wrapping index. The low energy realization occurs without loss of mass, via nucleation of a 5-7-7-5 dislocation dipole, followed by a nearly-axial glide of the 5-7 dislocation. The onset of plasticity depends not only on chirality but also on handedness. For a given handedness of the applied twist, chiral tubes of opposed handedness are most susceptible to yield. A right-handed applied twist on an armchair (zig-zag) tube leads to a right- (left-) handed tube. [4pt] [1] T. Dumitrica and R.D. James, Objective Molecular Dynamics, Journal of the Mechanics and Physics of Solids 55, 2206 (2007). [0pt] [2] D.-B. Zhang, M. Hua, and T. Dumitrica, Stability of Polycrystalline and Wurtzite Si Nanowires via Symmetry-Adapted Tight-Binding Objective Molecular Dynamics, Journal of Chemical Physics 128, 084104 (2008). [0pt] [3] D.-B. Zhang and T. Dumitrica, Elasticity of Ideal Single-Walled Carbon Nanotubes via Symmetry-Adapted Tight-Binding Objective Modeling, Applied Physics Letters 93, 031919 (2008).

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.

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

NASA Astrophysics Data System (ADS)

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

2011-02-01

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

Coseismic changes of gravitational potential energy induced by global earthquakes based on spherical-Earth elastic dislocation theory

NASA Astrophysics Data System (ADS)

Xu, Changyi; Chao, B. Fong

2017-05-01

We compute the coseismic gravitational potential energy Eg change using the spherical-Earth elastic dislocation theory and either the fault model treated as a point source or the finite fault model. The rate of the accumulative Eg loss produced by historical earthquakes from 1976 to 2016 (about 42,000 events) using the Global Centroid Moment Tensor Solution catalogue is estimated to be on the order of -2.1 × 1020 J/a, or -6.7 TW (1 TW = 1012 W), amounting to 15% in the total terrestrial heat flow. The energy loss is dominated by the thrust faulting, especially the megathrust earthquakes such as the 2004 Sumatra earthquake (Mw 9.0) and the 2011 Tohoku-Oki earthquake (Mw 9.1). It is notable that the very deep focus events, the 1994 Bolivia earthquake (Mw 8.2) and the 2013 Okhotsk earthquake (Mw 8.3), produced significant overall coseismic Eg gain according to our calculation. The accumulative coseismic Eg is mainly lost in the mantle of the Earth and also lost in the core of the Earth but with a relatively smaller magnitude. By contrast, the crust of the Earth gains gravitational potential energy cumulatively because of the coseismic deformations. We further investigate the tectonic signature in the coseismic crustal Eg changes in some complex tectonic zone, such as Taiwan region and the northeastern margin of the Tibetan Plateau. We found that the coseismic Eg change is consistent with the regional tectonic character.

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

NASA Astrophysics Data System (ADS)

Zhang, Chiqun; Acharya, Amit; Puri, Saurabh

2018-05-01

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

On the residual yield stress of shocked metals

NASA Astrophysics Data System (ADS)

Chapman, David J.; Eakins, Daniel E.; Proud, William G.; Savinykh, Andrey S.; Garkushin, Gennady V.; Razorenov, Sergey V.; Kanel, Gennady I.

2014-05-01

Precise measurement of the free-surface velocity can be a rich source of information on the effects of time and strain on material strength. With this objective, we performed a careful comparative measurement of the free-surface velocity of shock loaded aluminium AD1 and magnesium alloy Ma2 samples of various thicknesses in the range 0.2 mm to 5 mm. We observed the expected decay in the elastic precursor state with increasing sample thickness for both aluminium and magnesium alloy. However, we also observed a small change in the magnitude of hysteresis in the elastic-plastic compression-unloading cycle; where qualitatively the peak free-surface velocity also increased with increasing specimen thickness. Interestingly, the observed change in hysteresis as function of specimen thickness for the Ma2 alloy was relatively smaller than the AD1, in contrast with the larger change in precursor magnitude observed for the magnesium. We propose that softening due to multiplication of dislocations is relatively large in Ma2 and results in a smaller hysteresis in the elastic-plastic cycle.

Three-dimensional local residual stress and orientation gradients near graphite nodules in ductile cast iron [3D local residual stress and orientation gradients near graphite nodules in ductile cast iron

DOE PAGES

Zhang, Y. B.; Andriollo, T.; Faester, S.; ...

2016-09-14

A synchrotron technique, differential aperture X-ray microscopy (DAXM), has been applied to characterize the microstructure and analyze the local mesoscale residual elastic strain fields around graphite nodules embedded in ferrite matrix grains in ductile cast iron. Compressive residual elastic strains are measured with a maximum strain of ~6.5–8 × 10 –4 near the graphite nodules extending into the matrix about 20 μm, where the elastic strain is near zero. The experimental data are compared with a strain gradient calculated by a finite element model, and good accord has been found but with a significant overprediction of the maximum strain. Thismore » is discussed in terms of stress relaxation during cooling or during storage by plastic deformation of the nodule, the matrix or both. Furthermore, relaxation by plastic deformation of the ferrite is demonstrated by the formation of low energy dislocation cell structure also quantified by the DAXM technique.« less

The Khachaturyan theory of elastic inclusions: Recollections and results

NASA Astrophysics Data System (ADS)

Morris, J. W.

2010-01-01

In keeping with the assignment, this paper has two parts. The first is a personal recollection of my interactions with Professor Armen Khachaturyan since he first visited Berkeley in the 1970s. The second part is a review of the Khachaturyan formulation of the theory of elastic inclusions, with emphasis on results found since his classic monograph on the Theory of Structural Transformations in Solids [Wiley, New York, 1983]. The focus here is on the shapes and habits of coherent inclusions. The basic theory is presented, briefly, to exhibit Khachaturyan's results for the strain and energy within a coherent inclusion and show that the elastic energy is minimal for a thin-plate morphology with a definite habit. The preferred habit of the thin-plate inclusion is then discussed and computed for inclusions with dyadic strain (including the dislocation loop) and coherent inclusions with orthorhombic or simpler symmetry. This is followed by a discussion of the evolution of precipitate shape during coarsening, including the theory of the spontaneous splitting of coarsening precipitates and the development of octahedral or tetrahedral shapes.

On the elastic–plastic decomposition of crystal deformation at the atomic scale

DOE PAGES

Stukowski, Alexander; Arsenlis, A.

2012-03-02

Given two snapshots of an atomistic system, taken at different stages of the deformation process, one can compute the incremental deformation gradient field, F, as defined by continuum mechanics theory, from the displacements of atoms. However, such a kinematic analysis of the total deformation does not reveal the respective contributions of elastic and plastic deformation. We develop a practical technique to perform the multiplicative decomposition of the deformation field, F = F eF p, into elastic and plastic parts for the case of crystalline materials. The described computational analysis method can be used to quantify plastic deformation in a materialmore » due to crystal slip-based mechanisms in molecular dynamics and molecular statics simulations. The knowledge of the plastic deformation field, F p, and its variation with time can provide insight into the number, motion and localization of relevant crystal defects such as dislocations. As a result, the computed elastic field, F e, provides information about inhomogeneous lattice strains and lattice rotations induced by the presence of defects.« less

Loss Aversion, Education, and Intergenerational Mobility

ERIC Educational Resources Information Center

Malloy, Liam C.

2015-01-01

Existing empirical work looking at the effects of parental income on IQ, schooling, wealth, race, and personality is only able to explain about half of the observed intergenerational income elasticity. This paper provides a possible behavioral explanation for this elasticity in which heterogeneous agents in sequential generations choose their…

Heterogeneous dislocation loop formation near grain boundaries in a neutron-irradiated commercial FeCrAl alloy

NASA Astrophysics Data System (ADS)

Field, Kevin G.; Briggs, Samuel A.; Hu, Xunxiang; Yamamoto, Yukinori; Howard, Richard H.; Sridharan, Kumar

2017-01-01

FeCrAl alloys are an attractive class of materials for nuclear power applications because of their increased environmental compatibility compared with more traditional nuclear materials. Preliminary studies into the radiation tolerance of FeCrAl alloys under accelerated neutron testing between 300 and 400 °C have shown post-irradiation microstructures containing dislocation loops and a Cr-rich α‧ phase. Although these initial studies established the post-irradiation microstructures, there was little to no focus on understanding the influence of pre-irradiation microstructures on this response. In this study, a well-annealed commercial FeCrAl alloy, Alkrothal 720, was neutron irradiated to 1.8 displacements per atom (dpa) at 382 °C and then the effect of random high-angle grain boundaries on the spatial distribution and size of a〈100〉 dislocation loops, a/2〈111〉 dislocation loops, and black dot damage was analyzed using on-zone scanning transmission electron microscopy. Results showed a clear heterogeneous dislocation loop formation with a/2〈111〉 dislocation loops showing an increased number density and size, black dot damage showing a significant number density decrease, and a〈100〉 dislocation loops exhibiting an increased size in the vicinity of the grain boundary. These results suggest the importance of the pre-irradiation microstructure and, specifically, defect sink density spacing to the radiation tolerance of FeCrAl alloys.

A rare complication of a unilateral vertebral artery occlusion, which resulted in a basilar emboli after a C5-C6 bifacet dislocation in a professional rugby player: case study.

PubMed

Davies, Simon R

2011-03-01

Vertebral artery damage after cervical fracture and especially cervical dislocations is a recognized phenomenon. The incidence of significant intracranial neurology after unilateral vertebral damage is extremely rare, and to our knowledge, no such injury has been sustained while playing sport. To describe a rare vascular complication of a bifacet C5-C6 dislocation. Case report and clinical discussion. We present a 28-year old white man who was a professional rugby player. He sustained a hyperflexion injury while playing scrum half in a recent league match, which resulted in a C5-C6 dislocation, diagnosed clinically and with a plain radiograph. The patient on admission had complete neurologic loss below C6. The patient underwent immediate computed tomography and magnetic resonance imaging (MRI) scans that revealed a 50% displacement of C5 on C6 with a complete unifacet dislocation and the other facet partially dislocated. The MRI revealed signal changes in the cord at the C5-C6 level and an intimal tear in the left vertebral artery. The decision was taken to reduce the dislocation when medically stable. A few hours after injury, after an episode of vomiting, the patient sustained a respiratory arrest owing to the embolization of a clot from the left vertebral artery into the basilar artery. Despite rapid embolectomy and subsequent permanent left vertebral artery occlusion, the patient sustained multiple infarcts in the cerebellar, thalamic, occipital, and pontine regions of the brain that eventually proved fatal. This case shows a rare complication of unilateral vertebral artery occlusion. Despite early identification of a basilar infarct and a successful embolectomy, intracranial infarction occurred. Although there is no guideline for the treatment of vertebral artery damage, early reduction and anticoagulation may reduce the risk of cerebral infarction. Copyright © 2011 Elsevier Inc. All rights reserved.

Propagation of Love waves with surface effects in an electrically-shorted piezoelectric nanofilm on a half-space elastic substrate.

PubMed

Zhang, Sijia; Gu, Bin; Zhang, Hongbin; Feng, Xi-Qiao; Pan, Rongying; Alamusi; Hu, Ning

2016-03-01

The propagation of Love waves in the structure consisting of a nanosized piezoelectric film and a semi-infinite elastic substrate is investigated in the present paper with the consideration of surface effects. In our analysis, surface effects are taken into account in terms of the surface elasticity theory and the electrically-shorted conditions are adopted on the free surface of the piezoelectric film and the interface between the film and the substrate. This work focuses on the new features in the dispersion relations of different modes due to surface effects. It is found that with the existence of surface effects, the frequency dispersion of Love waves shows the distinct dependence on the thickness and the surface constants when the film thickness reduces to nanometers. In general, phase velocities of all dispersion modes increase with the decrease of the film thickness and the increase of the surface constants. However, surface effects play different functions in the frequency dispersions of different modes, especially for the first mode dispersion. Moreover, different forms of Love waves are observed in the first mode dispersion, depending on the presence of the surface effects on the surface and the interface. Copyright © 2015 Elsevier B.V. All rights reserved.

Pareto Joint Inversion of Love and Quasi Rayleigh's waves - synthetic study

NASA Astrophysics Data System (ADS)

Bogacz, Adrian; Dalton, David; Danek, Tomasz; Miernik, Katarzyna; Slawinski, Michael A.

2017-04-01

In this contribution the specific application of Pareto joint inversion in solving geophysical problem is presented. Pareto criterion combine with Particle Swarm Optimization were used to solve geophysical inverse problems for Love and Quasi Rayleigh's waves. Basic theory of forward problem calculation for chosen surface waves is described. To avoid computational problems some simplification were made. This operation allowed foster and more straightforward calculation without lost of solution generality. According to the solving scheme restrictions, considered model must have exact two layers, elastic isotropic surface layer and elastic isotropic half space with infinite thickness. The aim of the inversion is to obain elastic parameters and model geometry using dispersion data. In calculations different case were considered, such as different number of modes for different wave types and different frequencies. Created solutions are using OpenMP standard for parallel computing, which help in reduction of computational times. The results of experimental computations are presented and commented. This research was performed in the context of The Geomechanics Project supported by Husky Energy. Also, this research was partially supported by the Natural Sciences and Engineering Research Council of Canada, grant 238416-2013, and by the Polish National Science Center under contract No. DEC-2013/11/B/ST10/0472.

Microstructural and Morphological Factors Affecting Uncertainty in Small Scale Mechanical Properties

NASA Astrophysics Data System (ADS)

Maughan, Michael R.

If materials are to be developed from the ground up, the process will be dependent upon accurate and well-defined models of material behavior. These models can be closed-form solutions developed from first principles, simulations, or empirically derived equations, among others. Material behavior at the mesoscale is in general well understood, having had several centuries of study. However, behavior at the micro or nanoscale still requires characterization. Understanding the collective influence of the microstructure on the bulk material, for example with models like the Hall-Petch relation, has advanced our ability to manipulate the material to our advantage. We now have the ability to study not only the structure of the material, but also the material behavior and properties at the nanoscale. Understanding this behavior is critical to developing a framework for interpreting and utilizing these properties in materials design. This research aims to improve the fundamental understanding of the mechanical performance of materials and the subsequent variation in measured properties. The literature reports widely varying material properties such as hardness, elastic modulus, and yield point when measured at the nanoscale. Proposed variation mechanisms in these properties include surface preparation, error in measurement, heterogeneous dislocation density and distribution, crystal orientation, surface oxide film fracture, and others. Among other things, this work shows that these sources of variation can be determined and quantified, and that this information can be utilized as a characterization and/or predictive tool. The main goals of this work are to 1) continue basic research on sources of variation in the nanoscale properties of materials, specifically hardness and modulus in crystalline and glassy solids, 2) study the abrupt transition from elastic to plastic material behavior known as pop-in and resolve the problem of pseudo-elastic behavior prior to plasticity, and 3) integrate the sources of and propagate the variation into materials simulations, 4) study the influence of dislocation processes on indentation size effects, and 5) apply this learning to difficult to measure or interpret materials applications.

Anelasticity of olivine single crystals investigated by stress-reduction tests and high-angular resolution electron backscatter diffraction

NASA Astrophysics Data System (ADS)

Wallis, D.; Hansen, L. N.; Kempton, I.; Wilkinson, A. J.

2017-12-01

Geodynamic phenomena, including glacial isostatic adjustment and postseismic deformation, can involve transient deformation in response to changes in differential stress acting on mantle rocks. As such, rheological models of transient deformation are incorporated in predictions of associated processes, including sea-level rise and stress redistribution after earthquakes. However, experimental constraints on rheological models for transient deformation of mantle materials are sparse. In particular, experiments involving stress reductions have been lacking. Moreover, a material's response to a reduction in stress can provide clues to the microphysical processes controlling deformation. To constrain models of transient deformation of mantle rocks we performed stress-reduction tests on single crystals of olivine at 1250-1300°C. Mechanical and piezoelectric actuators controlled constant initial stress during creep. At various strain intervals stress was reduced near-instantaneously using the piezoelectric actuator, inducing both elastic and anelastic (time-dependent) lengthening of the samples. A range of magnitudes of stress reduction were applied, typically unloading 10-90% of the initial stress. High-angular resolution electron backscatter diffraction (HR-EBSD), based on cross-correlation of diffraction patterns, was used to map dislocation density and elastic strain distributions in the recovered samples. Magnitudes of anelastic back-strain increase with increasing magnitudes of stress reduction and show a marked increase when stress reductions exceed 50% of the initial stress, consistent with previous observations in metals and alloys. This observation is inconsistent with the Burgers rheological model commonly used to describe transient behaviour and suggests that the style of rheological behaviour depends on the magnitude of stress change. HR-EBSD maps reveal that the crystal lattices are smoothly curved and generally lack subgrain boundaries and elastic strain heterogeneities. The dependence of the anelastic behaviour on the initial stress, combined with the lack of subgrain boundaries, suggest that the anelastic behaviour is controlled by local interactions between dislocations, rather than resistance imposed by the lattice or subgrain boundaries.

Critical Nucleation Length for Accelerating Frictional Slip

NASA Astrophysics Data System (ADS)

Aldam, Michael; Weikamp, Marc; Spatschek, Robert; Brener, Efim A.; Bouchbinder, Eran

2017-11-01

The spontaneous nucleation of accelerating slip along slowly driven frictional interfaces is central to a broad range of geophysical, physical, and engineering systems, with particularly far-reaching implications for earthquake physics. A common approach to this problem associates nucleation with an instability of an expanding creep patch upon surpassing a critical length Lc. The critical nucleation length Lc is conventionally obtained from a spring-block linear stability analysis extended to interfaces separating elastically deformable bodies using model-dependent fracture mechanics estimates. We propose an alternative approach in which the critical nucleation length is obtained from a related linear stability analysis of homogeneous sliding along interfaces separating elastically deformable bodies. For elastically identical half-spaces and rate-and-state friction, the two approaches are shown to yield Lc that features the same scaling structure, but with substantially different numerical prefactors, resulting in a significantly larger Lc in our approach. The proposed approach is also shown to be naturally applicable to finite-size systems and bimaterial interfaces, for which various analytic results are derived. To quantitatively test the proposed approach, we performed inertial Finite-Element-Method calculations for a finite-size two-dimensional elastically deformable body in rate-and-state frictional contact with a rigid body under sideway loading. We show that the theoretically predicted Lc and its finite-size dependence are in reasonably good quantitative agreement with the full numerical solutions, lending support to the proposed approach. These results offer a theoretical framework for predicting rapid slip nucleation along frictional interfaces.

Stress and strain relaxation in magnesium AZ31 rolled plate: In-situ neutron measurement and elastic viscoplastic polycrystal modeling

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

Wang, Huamiao; Clausen, Bjorn; Capolungo, Laurent

Continuous mechanical tests with strain holds (stress relaxation) and with stress holds (strain relaxation) are performed simultaneously with in-situ neutron measurements to analyze the mechanisms of stress and strain relaxation in Mg AZ31 rolled plate. A dislocation activity based constitutive model, accounting for internal stress statistical distributions, is proposed and implemented into an elastic viscoplastic self-consistent (EVPSC) framework to simultaneously describe both stress and strain relaxation. The model captures the experimental data in terms of macroscopic stress strain curves, evolution of stress and strain during holding, as well as evolution of the internal elastic strains. Model results indicate that themore » magnitude of the stress relaxed during strain holding is dependent on both, the magnitude of the flow stress and the spread of the resolved shear stress distribution. The magnitude of strain accumulated during stress holding is, on the other hand, dependent on the magnitude of the hardening rate and on the spread of the resolved shear stress distribution. Furthermore, the internal elastic strains are directly correlated with the stress state, and hence the stress relaxation during strain holds has a greater influence on the lattice strains than strain relaxation during stress holds.« less

Stress and strain relaxation in magnesium AZ31 rolled plate: In-situ neutron measurement and elastic viscoplastic polycrystal modeling

DOE PAGES

Wang, Huamiao; Clausen, Bjorn; Capolungo, Laurent; ...

2015-07-16

Continuous mechanical tests with strain holds (stress relaxation) and with stress holds (strain relaxation) are performed simultaneously with in-situ neutron measurements to analyze the mechanisms of stress and strain relaxation in Mg AZ31 rolled plate. A dislocation activity based constitutive model, accounting for internal stress statistical distributions, is proposed and implemented into an elastic viscoplastic self-consistent (EVPSC) framework to simultaneously describe both stress and strain relaxation. The model captures the experimental data in terms of macroscopic stress strain curves, evolution of stress and strain during holding, as well as evolution of the internal elastic strains. Model results indicate that themore » magnitude of the stress relaxed during strain holding is dependent on both, the magnitude of the flow stress and the spread of the resolved shear stress distribution. The magnitude of strain accumulated during stress holding is, on the other hand, dependent on the magnitude of the hardening rate and on the spread of the resolved shear stress distribution. Furthermore, the internal elastic strains are directly correlated with the stress state, and hence the stress relaxation during strain holds has a greater influence on the lattice strains than strain relaxation during stress holds.« less

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.

Interface crack in a nonhomogeneous elastic medium

NASA Technical Reports Server (NTRS)

Delale, F.; Erdogan, F.

1988-01-01

The linear elasticity problem for an interface crack between two bonded half planes is reconsidered. It is assumed that one of the half planes is homogeneous and the second is nonhomogeneous in such a way that the elastic properties are continuous throughout the plane and have discontinuous derivatives along the interface. The problem is formulated in terms of a system of integral equations and the asymptotic behavior of the stress state near the crack tip is determined. The results lead to the conclusion that the singular behavior of stresses in the nonhomogeneous medium is identical to that in a homogeneous material provided the spacial distribution of material properties is continuous near and at the crack tip. The problem is solved for various values of the nonhomogeneity parameter and for four different sets of crack surface tractions, and the corresponding stress intensity factors are tabulated.

Crack growth in bonded elastic half planes

NASA Technical Reports Server (NTRS)

Goree, J. G.

1975-01-01

Two solutions were developed for the two dimensional problem of bonded linearly elastic half-planes. For each solution, numerical results are presented for the stress intensity factors, strain energy release rate, stresses, and displacements. The behavior predicted by the studies was investigated experimentally using polymers for the material pairs. Close agreement was found for the critical stress intensity factor at fracture for the perpendicular crack near the interface. Fracture along the interface proved to be inconclusive due to difficulties in obtaining a brittle bond. Some interesting and predictable behavior regarding the potential for the crack to cross the interface was observed and is discussed.

Renormalization group study of the melting of a two-dimensional system of collapsing hard disks

NASA Astrophysics Data System (ADS)

Ryzhov, V. N.; Tareyeva, E. E.; Fomin, Yu. D.; Tsiok, E. N.; Chumakov, E. S.

2017-06-01

We consider the melting of a two-dimensional system of collapsing hard disks (a system with a hard-disk potential to which a repulsive step is added) for different values of the repulsive-step width. We calculate the system phase diagram by the method of the density functional in crystallization theory using equations of the Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young theory to determine the lines of stability with respect to the dissociation of dislocation pairs, which corresponds to the continuous transition from the solid to the hexatic phase. We show that the crystal phase can melt via a continuous transition at low densities (the transition to the hexatic phase) with a subsequent transition from the hexatic phase to the isotropic liquid and via a first-order transition. Using the solution of renormalization group equations with the presence of singular defects (dislocations) in the system taken into account, we consider the influence of the renormalization of the elastic moduli on the form of the phase diagram.

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

NASA Astrophysics Data System (ADS)

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

2006-07-01

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

Melting of 2D colloidal crystals

NASA Astrophysics Data System (ADS)

Maret, G.; Eisenmann, C.; Gasser, U.; Vongruenberg, H. H.; Keim, P.; Zahn, K.

2004-11-01

We study melting of 2D crystals of super-paramagnetic colloidal particles confined by gravity to a flat air-water interface. The effective system temperature is given by the strength of the dipolar inter-particle interaction controlled by an external magnetic field B. Particle positions are obtained by video-microscopy. In vertical B-field crystals are hexagonal and we find all features of the 2-step melting scenario predicted by KTHNY-theory. In particular, quantitative agreement is found for the translational and orientational order parameters related to bound and isolated dislocations and disclinations. From particle position fluctuations wave-vector (q) dependent normal-mode spring constants are obtained in agreement with phonon band structure calculations. The elastic constants (q=0 limit) soften near melting in quantitative agreement with KTHNY. By tilting B away from vertical anisotropic 2D crystals are generated; at small tilting angles they melt through a quasi-hexatic phase, while at higher tilts a centered rectangular phase is found which melts into a 2D smectic-like phase through orientation-dependent dislocations.

Relevant signs of stable and unstable thoracolumbar vertebral column trauma

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

Gehweiler, J.A.; Daffner, R.H.; Osborne, R.L.

1981-12-01

One-hundred and seventeen patients with acute thoracolumbar vertebral column fracture or fracture-dislocations were analyzed and classified into stable (36%) and unstable (64%). Eight helpful roentgen signs were observed that may serve to direct attention to serious underlying, often occult, fractures and dislocations. The changes fall into four principal groups: abnormal soft tissues, abnormal vertebral alignment, abnormal joints, and widened vertebral canal. All stable and unstable lesions showed abnormal soft tissues, while 70% demonstrated kyphosis and/or scoliosis, and an abnormal adjacent intervertebral disk space. All unstable lesions showed one or more of the following signs: displaced vertebra, widened interspinous space, abnormalmore » apophyseal joint(s), and widened vertebral canal.« less

Effect of Si, Mg, and Mg Zn doping on structural properties of a GaN layer grown by metalorganic chemical vapor deposition

NASA Astrophysics Data System (ADS)

Cho, H. K.; Lee, J. Y.; Kim, K. S.; Yang, G. M.

2001-12-01

We have studied the structural properties of undoped, Si-doped, Mg-doped, and Mg-Zn codoped GaN using high-resolution X-ray diffraction (HRXRD) and transmission electron microscopy. When compared with undoped GaN, the dislocation density at the surface of the GaN layer decreases with Si doping and increases with Mg doping. In addition, we observed a reduction of dislocation density by codoping with Zn atoms in the Mg-doped GaN layer. The full width at half maximum of HRXRD shows that Si doping and Mg-Zn codoping improve the structural quality of the GaN layer as compared with undoped and Mg-doped GaN, respectively.

Effects of plasma hydrogenation on trapping properties of dislocations in heteroepitaxial InP/GaAs

NASA Technical Reports Server (NTRS)

Ringel, S. A.; Chatterjee, B.

1994-01-01

In previous work, we have demonstrated the effectiveness of a post-growth hydrogen plasma treatment for passivating the electrical activity of dislocations in metalorganic chemical vapor deposition (MOCVD) grown InP on GaAs substrates by a more than two order of magnitude reduction in deep level concentration and an improvement in reverse bias leakage current by a factor of approximately 20. These results make plasma hydrogenation an extremely promising technique for achieving high efficiency large area and light weight heteroepitaxial InP solar cells for space applications. In this work we investigate the carrier trapping process by dislocations in heteroepitaxial InP/GaAs and the role of hydrogen passivation on this process. It is shown that the charge trapping kinetics of dislocations after hydrogen passivation are significantly altered, approaching point defect-like behavior consistent with a transformation from a high concentration of dislocation-related defect bands within the InP bandgap to a low concentration of individual dislocation related deep levels, before and after passivation. It is further shown that the 'apparent' activation energies of dislocation related deep levels, before and after passivation, reduce by approximately 70 meV as DLTS fill pulse times are increased from 1 microsecond to 1 millisecond. A model is proposed which explains these effects based on a reduction of Coulombic interaction between individual core sites along the dislocation cores by hydrogen incorporation. Knowledge of the trapping properties in these specific structures is important to develop optimum, low loss heteroepitaxial InP cells.

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (less than 250 V) 4H-SiC p(+)n Junction diodes. Part 1; DC Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Huang, Wei; Dudley, Michael

1998-01-01

Given the high density (approx. 10(exp 4)/sq cm) of elementary screw dislocations (Burgers vector = 1c with no hollow core) in commercial SiC wafers and epilayers, all appreciable current (greater than 1 A) SiC power devices will likely contain elementary screw dislocations for the foreseeable future. It is therefore important to ascertain the electrical impact of these defects, particularly in high-field vertical power device topologies where SiC is expected to enable large performance improvements in solid-state high-power systems. This paper compares the DC-measured reverse-breakdown characteristics of low-voltage (less than 250 V) small-area (less than 5 x 10(exp -4)/sq cm) 4H-SiC p(+)n diodes with and without elementary screw dislocations. Compared to screw dislocation-free devices, diodes containing elementary screw dislocations exhibited higher pre-breakdown reverse leakage currents, softer reverse breakdown I-V knees, and highly localized microplasmic breakdown current filaments. The observed localized 4H-SiC breakdown parallels microplasmic breakdowns observed in silicon and other semiconductors, in which space-charge effects limit current conduction through the local microplasma as reverse bias is increased.

Study of Bulk and Elementary Screw Dislocation Assisted Reverse Breakdown in Low-Voltage (<250 V) 4H-SiC p+n Junction Diodes - Part 1: DC Properties

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Huang, Wei; Dudley, Michael

1999-01-01

Given the high density (approx. 10(exp 4)/sq cm) of elementary screw dislocations (Burgers vector = lc with no hollow core) in commercial SiC wafers and epilayers, all appreciable current (greater than 1 A) SiC power devices will likely contain elementary screw dislocations for the foreseeable future. It is therefore important to ascertain the electrical impact of these defects, particularly in high-field vertical power device topologies where SiC is expected to enable large performance improvements in solid-state high-power systems. This paper compares the DC-measured reverse-breakdown characteristics of low-voltage (less than 250 V) small-area (less than 5 x 10(exp -4) sq cm) 4H-SiC p(+)n diodes with and without elementary screw dislocations. Compared to screw dislocation-free devices, diodes containing elementary screw dislocations exhibited higher pre-breakdown reverse leakage currents, softer reverse breakdown I-V knees, and highly localized microplasmic breakdown current filaments. The observed localized 4H-SiC breakdown parallels microplasmic breakdowns observed in silicon and other semiconductors, in which space-charge effects limit current conduction through the local microplasma as reverse bias is increased.

Burgers vector content of an interfacial ledge

NASA Astrophysics Data System (ADS)

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

1992-07-01

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

On the plumbing system of volcanic complexes: field constraints from the Isle of Skye (UK) and FEM elasto-plastic modelling including gravity and tectonics.

NASA Astrophysics Data System (ADS)

Bistacchi, A.; Pisterna, R.; Romano, V.; Rust, D.; Tibaldi, A.

2009-04-01

The plumbing system that connects a sub-volcanic magma reservoir to the surface has been the object of field characterization and mechanical modelling efforts since the pioneering work by Anderson (1936), who produced a detailed account of the spectacular Cullin Cone-sheet Complex (Isle of Skye, UK) and a geometrical and mechanical model aimed at defining the depth to the magma chamber. Since this work, the definition of the stress state in the half space comprised between the magma reservoir and the surface (modelled either as a flat surface or a surface comprising a volcanic edifice) was considered the key point in reconstructing dike propagation paths from the magma chamber. In fact, this process is generally seen as the propagation in an elastic media of purely tensional joints (mode I or opening mode propagation), which follow trajectories perpendicular to the least compressive principal stress axis. Later works generally used different continuum mechanics methodologies (analytic, BEM, FEM) to solve the problem of a pressure source (the magma chamber, either a point source or a finite volume) in an elastic (in some cases heterogeneous) half space (bounded by a flat topography or topped by a "volcano"). All these models (with a few limited exceptions) disregard the effect of the regional stress field, which is caused by tectonic boundary forces and gravitational body load, and consider only the pressure source represented by the magma chamber (review in Gudmundsson, 2006). However, this is only a (sometimes subordinate) component of the total stress field. Grosfils (2007) first introduced the gravitational load (but not tectonic stresses) in an elastic model solved with FEM in a 2D axisymmetric half-space, showing that "failure to incorporate gravitational loading correctly" affect the calculated stress pattern and many of the predictions that can be drawn from the models. In this contribution we report on modelling results that include: 2D axisymmetric or true 3D geometry; gravitational body load; anisotropic tectonic stresses; different shapes and depths of the magma chamber; different overpressure levels in the magma chamber; different shapes of the topographic surface (e.g. flat, volcano, caldera); linear-elastic or elasto-plastic Drucker-Prager rheology. The latter point, which in our opinion constitutes a fundamental improvement in the model, has proven necessary because in a purely elastic model the stress state would rise at levels that cannot be sustained by geologic materials. Particularly around and above the magma chamber, yielding is expected, influencing the stress field in the remaining modelling domain. The non-linear problem has been solved with the commercial finite element package Comsol Multiphysics, using a parametric solver. At the same time, a field structural analysis of the classical Cuillin Cone-sheet Complex has been performed. This analysis has shown that four distinct families of cone sheets of different age do exist. Among these, the sheets with the higher dip angle range (80-65°) are confirmed as purely tensional joints, but those with a lower dip angle range (60-40°) are quite often (when suitable markers are available) associated with a measurable shear component. Combining these new field observations with mechanical modelling results, we propose a new interpretation for the Cuillin Cone Sheet Complex. The plumbing system was composed by both purely tensional joints and mesoscopic faults with a shear component, produced in response to the regional stress field perturbed by the magma chamber, and later passively re-used as magma emplacement conduits. Under this assumption, the observed geometry of the Cuillin Cone-sheet Complex is consistent with a relatively shallow magma chamber with a flattened laccolite shape. The shape of the palaeotopography, now completely eroded, has also been considered, but is more weakly constrained by modelling results. References: Anderson E.M., 1936. The dynamics of the formation of cone-sheets, ring-dykes and cauldron subsidences. Proc R Soc Edinburgh, 56, 128-157. Grosfils E.B., 2007. Magma reservoir failure on the terrestrial planets: Assessing the importance of gravitational loading in simple elastic models. Journal of Volcanology and Geothermal Research, 166 (2), 47-75. Gudmundsson A. , 2006. How local stresses control magma-chamber ruptures, dyke injections, and eruptions in composite volcanoes. Earth Science Reviews, 79 (1), 1-31.

Discretizing singular point sources in hyperbolic wave propagation problems

DOE PAGES

Petersson, N. Anders; O'Reilly, Ossian; Sjogreen, Bjorn; ...

2016-06-01

Here, we develop high order accurate source discretizations for hyperbolic wave propagation problems in first order formulation that are discretized by finite difference schemes. By studying the Fourier series expansions of the source discretization and the finite difference operator, we derive sufficient conditions for achieving design accuracy in the numerical solution. Only half of the conditions in Fourier space can be satisfied through moment conditions on the source discretization, and we develop smoothness conditions for satisfying the remaining accuracy conditions. The resulting source discretization has compact support in physical space, and is spread over as many grid points as themore » number of moment and smoothness conditions. In numerical experiments we demonstrate high order of accuracy in the numerical solution of the 1-D advection equation (both in the interior and near a boundary), the 3-D elastic wave equation, and the 3-D linearized Euler equations.« less

Intensity Distribution of the Three-Wave Diffraction from Dislocation Epitaxial Layers in the Reciprocal Space

NASA Astrophysics Data System (ADS)

Kyutt, R. N.

2018-04-01

The three-wave X-ray diffraction in strongly disordered epitaxial layers of GaN and ZnO is experimentally investigated. The charts of the intensity distribution in the reciprocal space are plotted in coordinates q θ and q ϕ for the most intensive three-wave combination (1010)/(1011) by means of subsequent θ- and ϕ-scanning. A nontrivial shape of the θ-sections of these contours at a distance from the ϕ center of reflection is revealed; it is different for different samples. For the θ-curves at the center of reflection, we observed a common peak that may be approximated by the Voigt function with a power-low decrease in the intensity at the wings; the decrease law (from-4.5 to-5.0) is found to be considerably greater than that for the similar curves of two-wave diffraction and not depending on the dislocation density and distribution in layers. In some films we observed a coarse-block structure; in addition, it follows from the distribution in the reciprocal space that these blocks are turned with respect to each other around a normal to the surface, which allows us to suggest the existence of low-angle boundaries between them, consisting exclusively of edge dislocations.

Mechanical responses of a-axis GaN nanowires under axial loads

NASA Astrophysics Data System (ADS)

Wang, R. J.; Wang, C. Y.; Feng, Y. T.; Tang, Chun

2018-03-01

Gallium nitride (GaN) nanowires (NWs) hold technological significance as functional components in emergent nano-piezotronics. However, the examination of their mechanical responses, especially the mechanistic understanding of behavior beyond elasticity (at failure) remains limited due to the constraints of in situ experimentation. We therefore performed simulations of the molecular dynamics (MD) of the mechanical behavior of [1\\bar{2}10]-oriented GaN NWs subjected to tension or compression loading until failure. The mechanical properties and critical deformation processes are characterized in relation to NW sizes and loading conditions. Detailed examinations revealed that the failure mechanisms are size-dependent and controlled by the dislocation mobility on shuffle-set pyramidal planes. The size dependence of the elastic behavior is also examined in terms of the surface structure determined modification of Young’s modulus. In addition, a comparison with c-axis NWs is made to show how size-effect trends vary with the growth orientation of NWs.

Spall behaviour of single crystal aluminium at three principal orientations

NASA Astrophysics Data System (ADS)

Owen, G. D.; Chapman, D. J.; Whiteman, G.; Stirk, S. M.; Millett, J. C. F.; Johnson, S.

2017-10-01

A series of plate impact experiments have been conducted to study the spall strength of the three principal crystallographic orientations of single crystal aluminium ([100], [110] and, [111]) and ultra-pure polycrystalline aluminium. The samples have been shock loaded at two impact stresses (4 GPa and 10 GPa). Significant differences have been observed in the elastic behaviour, the pullback velocities, and the general shape of the wave profiles, which can be accounted for by considerations of the microscale homogeneity, the dislocation density, and the absence of grain boundaries in the single crystal materials. The data have shown that there is a consistent order of spall strength measured for the four sample materials. The [111] orientation has the largest spall strength and elastic limit, followed closely by [110], [100], and then the polycrystalline material. This order is consistent with both quasi-static data and geometrical consideration of Schmid factors.

Dynamic plasticity and failure of high-purity alumina under shock loading.

PubMed

Chen, M W; McCauley, J W; Dandekar, D P; Bourne, N K

2006-08-01

Most high-performance ceramics subjected to shock loading can withstand high failure strength and exhibit significant inelastic strain that cannot be achieved under conventional loading conditions. The transition point from elastic to inelastic response prior to failure during shock loading, known as the Hugoniot elastic limit (HEL), has been widely used as an important parameter in the characterization of the dynamic mechanical properties of ceramics. Nevertheless, the underlying micromechanisms that control HEL have been debated for many years. Here we show high-resolution electron microscopy of high-purity alumina, soft-recovered from shock-loading experiments. The change of deformation behaviour from dislocation activity in the vicinity of grain boundaries to deformation twinning has been observed as the impact pressures increase from below, to above HEL. The evolution of deformation modes leads to the conversion of material failure from an intergranular mode to transgranular cleavage, in which twinning interfaces serve as the preferred cleavage planes.

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 elastic excitations on the surface structure of hadfield steel under friction

NASA Astrophysics Data System (ADS)

Kolubaev, A. V.; Ivanov, Yu. F.; Sizova, O. V.; Kolubaev, E. A.; Aleshina, E. A.; Gromov, V. E.

2008-02-01

The structure of the Hadfield steel (H13) surface layer forming under dry friction is examined. The deformation of the material under the friction surface is studied at a low slip velocity and a low pressure (much smaller than the yields stress of H13 steel). The phase composition and defect substructure on the friction surface are studied using scanning, optical, and diffraction electron microscopy methods. It is shown that a thin highly deformed nanocrystalline layer arises near the friction surface that transforms into a polycrystalline layer containing deformation twins and dislocations. The nanocrystalline structure and the presence of oxides in the surface layer and friction zone indicate a high temperature and high plastic strains responsible for the formation of the layer. It is suggested that the deformation of the material observed far from the surface is due to elastic wave generation at friction.

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.

Size-dependent adhesion energy of shape-selected Pd and Pt nanoparticles

NASA Astrophysics Data System (ADS)

Ahmadi, M.; Behafarid, F.; Cuenya, B. Roldan

2016-06-01

Thermodynamically stable shape-selected Pt and Pd nanoparticles (NPs) were synthesized via inverse micelle encapsulation and a subsequent thermal treatment in vacuum above 1000 °C. The majority of the Pd NPs imaged via scanning tunneling microscopy (STM) had a truncated octahedron shape with (111) top and interfacial facets, while the Pt NPs were found to adopt a variety of shapes. For NPs of identical shape for both material systems, the NP-support adhesion energy calculated based on STM data was found to be size-dependent, with large NPs (e.g. ~6 nm) having lower adhesion energies than smaller NPs (e.g. ~1 nm). This phenomenon was rationalized based on support-induced strain that for larger NPs favors the formation of lattice dislocations at the interface rather than a lattice distortion that may propagate through the smaller NPs. In addition, identically prepared Pt NPs of the same shape were found to display a lower adhesion energy compared to Pd NPs. While in both cases, a transition from a lattice distortion to interface dislocations is expected to occur with increasing NP size, the higher elastic energy in Pt leads to a lower transition size, which in turn lowers the adhesion energy of Pt NPs compared to Pd.Thermodynamically stable shape-selected Pt and Pd nanoparticles (NPs) were synthesized via inverse micelle encapsulation and a subsequent thermal treatment in vacuum above 1000 °C. The majority of the Pd NPs imaged via scanning tunneling microscopy (STM) had a truncated octahedron shape with (111) top and interfacial facets, while the Pt NPs were found to adopt a variety of shapes. For NPs of identical shape for both material systems, the NP-support adhesion energy calculated based on STM data was found to be size-dependent, with large NPs (e.g. ~6 nm) having lower adhesion energies than smaller NPs (e.g. ~1 nm). This phenomenon was rationalized based on support-induced strain that for larger NPs favors the formation of lattice dislocations at the interface rather than a lattice distortion that may propagate through the smaller NPs. In addition, identically prepared Pt NPs of the same shape were found to display a lower adhesion energy compared to Pd NPs. While in both cases, a transition from a lattice distortion to interface dislocations is expected to occur with increasing NP size, the higher elastic energy in Pt leads to a lower transition size, which in turn lowers the adhesion energy of Pt NPs compared to Pd. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02166b

Elastic and Mechanical Properties of the MAX Phases

NASA Astrophysics Data System (ADS)

Barsoum, Michel W.; Radovic, Miladin

2011-08-01

The more than 60 ternary carbides and nitrides, with the general formula Mn+1AXn—where n = 1, 2, or 3; M is an early transition metal; A is an A-group element (a subset of groups 13-16); and X is C and/or N—represent a new class of layered solids, where Mn+1Xn layers are interleaved with pure A-group element layers. The growing interest in the Mn+1AXn phases lies in their unusual, and sometimes unique, set of properties that can be traced back to their layered nature and the fact that basal dislocations multiply and are mobile at room temperature. Because of their chemical and structural similarities, the MAX phases and their corresponding MX phases share many physical and chemical properties. In this paper we review our current understanding of the elastic and mechanical properties of bulk MAX phases where they differ significantly from their MX counterparts. Elastically the MAX phases are in general quite stiff and elastically isotropic. The MAX phases are relatively soft (2-8 GPa), are most readily machinable, and are damage tolerant. Some of them are also lightweight and resistant to thermal shock, oxidation, fatigue, and creep. In addition, they behave as nonlinear elastic solids, dissipating 25% of the mechanical energy during compressive cycling loading of up to 1 GPa at room temperature. At higher temperatures, they undergo a brittle-to-plastic transition, and their mechanical behavior is a strong function of deformation rate.

Effects of Plasma Hydrogenation on Trapping Properties of Dislocations in Heteroepitaxial InP/GaAs

NASA Technical Reports Server (NTRS)

Ringel, S. A.; Chatterjee, B.

1994-01-01

In previous work, we have demonstrated the effectiveness of a post-growth hydrogen plasma treatment for passivating the electrical activity of dislocations in metalorganic chemical vapor deposition (MOCVD) grown InP on GaAs substrates by a more than two order of magnitude reduction in deep level concentration and an improvement in reverse bias leakage current by a factor of approx. 20. These results make plasma hydrogenation an extremely promising technique for achieving high efficiency large area and light weight heteroepitaxial InP solar cells for space applications. In this work we investigate the carrier trapping process by dislocations in heteroepitaxial InP/GaAs and the role of hydrogen passivation on this process. It is shown that the charge trapping kinetics of dislocations after hydrogen passivation are significantly altered, approaching point defect-like behavior consistent with a transformation from a high concentration of dislocation-related defect bands within the InP bandgap to a low concentration of individual deep levels after hydrogen passivation. It is further shown that the "apparent" activation energies of dislocation related deep levels, before and after passivation, reduce by approx. 70 meV as DLTS fill pulse times are increased from 1 usec. to 1 msec. A model is proposed which explains these effects based on a reduction of Coulombic interaction between individual core sites along the dislocation cores by hydrogen incorporation. Knowledge of the trapping properties in these specific structures is important to develop optimum, low loss heteroepitaxial InP cells.

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

NASA Astrophysics Data System (ADS)

Ashmawi, Waeil Muhammad Al-Anwar

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

On the permanent hip-stabilizing effect of atmospheric pressure.

PubMed

Prietzel, Torsten; Hammer, Niels; Schleifenbaum, Stefan; Kaßebaum, Eric; Farag, Mohamed; von Salis-Soglio, Georg

2014-08-22

Hip joint dislocations related to total hip arthroplasty (THA) are a common complication especially in the early postoperative course. The surgical approach, the alignment of the prosthetic components, the range of motion and the muscle tone are known factors influencing the risk of dislocation. A further factor that is discussed until today is atmospheric pressure which is not taken into account in the present THA concepts. The aim of this study was to investigate the impact of atmospheric pressure on hip joint stability. Five joint models (Ø 28-44 mm), consisting of THA components were hermetically sealed with a rubber capsule, filled with a defined amount of fluid and exposed to varying ambient pressure. Displacement and pressure sensors were used to record the extent of dislocation related to intraarticular and ambient pressure. In 200 experiments spontaneous dislocations of the different sized joint models were reliably observed once the ambient pressure was lower than 6.0 kPa. Increasing the ambient pressure above 6.0 kPa immediately and persistently reduced the joint models until the ambient pressure was lowered again. Displacement always exceeded half the diameter of the joint model and was independent of gravity effects. This experimental study gives strong evidence that the hip joint is permanently stabilized by atmospheric pressure, confirming the theories of Weber and Weber (1836). On basis of these findings the use of larger prosthetic heads, capsular repair and the deployment of an intracapsular Redon drain are proposed to substantially decrease the risk of dislocation after THA. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

Elasticity of Relativistic Rigid Bodies?

NASA Astrophysics Data System (ADS)

Smarandache, Florentin

2013-10-01

In the classical Twin Paradox, according to the Special Theory of Relativity, when the traveling twin blasts off from the Earth to a relative velocity v =√{/3 } 2 c with respect to the Earth, his measuring stick and other physical objects in the direction of relative motion shrink to half their lengths. How is that possible in the real physical world to have let's say a rigid rocket shrinking to half and then later elongated back to normal as an elastic material when it stops? What is the explanation for the traveler's measuring stick and other physical objects, in effect, return to the same length to their original length in the Stay-At-Home, but there is no record of their having shrunk? If it's a rigid (not elastic) object, how can it shrink and then elongate back to normal? It might get broken in such situation.

Static response of deformable microchannels

NASA Astrophysics Data System (ADS)

Christov, Ivan C.; Sidhore, Tanmay C.

2017-11-01

Microfluidic channels manufactured from PDMS are a key component of lab-on-a-chip devices. Experimentally, rectangular microchannels are found to deform into a non-rectangular cross-section due to fluid-structure interactions. Deformation affects the flow profile, which results in a nonlinear relationship between the volumetric flow rate and the pressure drop. We develop a framework, within the lubrication approximation (l >> w >> h), to self-consistently derive flow rate-pressure drop relations. Emphasis is placed on handling different types of elastic response: from pure plate-bending, to half-space deformation, to membrane stretching. The ``simplest'' model (Stokes flow in a 3D rectangular channel capped with a linearly elastic Kirchhoff-Love plate) agrees well with recent experiments. We also simulate the static response of such microfluidic channels under laminar flow conditions using ANSYSWorkbench. Simulations are calibrated using experimental flow rate-pressure drop data from the literature. The simulations provide highly resolved deformation profiles, which are difficult to measure experimentally. By comparing simulations, experiments and our theoretical models, we show good agreement in many flow/deformation regimes, without any fitting parameters.

Three-dimensional lattice matching of epitaxially embedded nanoparticles

NASA Astrophysics Data System (ADS)

May, Brelon J.; Anderson, Peter M.; Myers, Roberto C.

2017-02-01

For a given degree of in-plane lattice mismatch between a two-dimensional (2D) epitaxial layer and a substrate (ɛIP*), there is a critical thickness above which interfacial defects form to relax the elastic strain energy. Here, we extend the 2D lattice-matching conditions to three-dimensions in order to predict the critical size beyond which epitaxially encased nanoparticles, characterized by both ɛIP* and out-of-plane lattice mismatch (ɛOP*), relax by dislocation formation. The critical particle length (Lc) at which defect formation proceeds is determined by balancing the reduction in elastic energy associated with dislocation introduction with the corresponding increase in defect energy. Our results, which use a modified Eshelby inclusion technique for an embedded, arbitrarily-faceted nanoparticle, provide new insight to the nanoepitaxy of low dimensional structures, especially quantum dots and nanoprecipitates. By engineering ɛIP* and ɛOP* , the predicted Lc for nanoparticles can be increased to well beyond the case of encapsulation in a homogenous matrix. For the case of truncated pyramidal shaped InAs, Lc 10.8 nm when fully embedded in GaAs (ɛIP* = ɛOP* = - 0.072); 16.4 nm when the particle is grown on GaAs, but capped with InSb (ɛIP* = - 0.072 and ɛOP* =+0.065); and a maximum of 18.4 nm if capped with an alloy corresponding to ɛOP* =+0.037. The effect, which we term "3D Poisson-stabilization" provides a means to increase the epitaxial strain tolerance in epitaxial heterostructures by tailoring ɛOP*.

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

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

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

1997-01-01

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

Continuum elastic theory for dynamics of surfaces and interfaces

NASA Astrophysics Data System (ADS)

Pykhtin, Michael V.

This thesis is divided into three parts, different by problems they deal with, but similar by underlying assumptions (crystals are treated as classical elastic anisotropic media) and methods of solving (vibrational Green's functions). (i) In the first part we compute the density of vibrational modes for a vicinal Ni(977) surface. In the spectrum we find new step induced modes which are compared with recently reported experimental data for Ni(977) surface obtained by inelastic atom scattering. (ii) In the second part we study damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. Our theory provides a general expression for the vibrational damping rate which can be applied to widely varying coverages and arbitrary overlayer structures. The damping rates predicted by our theory for CO on Cu(100) are in excellent quantitative agreement with available experimental data. (iii) In the third part we develop a theory for the density of vibrational modes at the surface of a thin film of one anisotropic solid an on top of the other. We compute the density of modes for a GaN film on a sapphire substrate for a wide range of wavevector and frequency, and obtain dispersion maps which contain waves trapped between the surface of the film and the interface. Two families of the trapped modes were observed: Love waves and generalized Lamb waves. We also study the effect of threading edge dislocations (majority of defects in the GaN film) on the trapped modes. At the experimental dislocation density the effect is negligible.

Wave propagation through a flexoelectric piezoelectric slab sandwiched by two piezoelectric half-spaces.

PubMed

Jiao, Fengyu; Wei, Peijun; Li, Yueqiu

2018-01-01

Reflection and transmission of plane waves through a flexoelectric piezoelectric slab sandwiched by two piezoelectric half-spaces are studied in this paper. The secular equations in the flexoelectric piezoelectric material are first derived from the general governing equation. Different from the classical piezoelectric medium, there are five kinds of coupled elastic waves in the piezoelectric material with the microstructure effects taken into consideration. The state vectors are obtained by the summation of contributions from all possible partial waves. The state transfer equation of flexoelectric piezoelectric slab is derived from the motion equation by the reduction of order, and the transfer matrix of flexoelectric piezoelectric slab is obtained by solving the state transfer equation. By using the continuous conditions at the interface and the approach of partition matrix, we get the resultant algebraic equations in term of the transfer matrix from which the reflection and transmission coefficients can be calculated. The amplitude ratios and further the energy flux ratios of various waves are evaluated numerically. The numerical results are shown graphically and are validated by the energy conservation law. Based on these numerical results, the influences of two characteristic lengths of microstructure and the flexoelectric coefficients on the wave propagation are discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

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.

Intraoperative dislocation of the trial bipolar cup into the pelvis during bipolar hip arthroplasty - A case report.

PubMed

Miyake, Takahito; Kanda, Akio; Morohashi, Itaru; Obayashi, Osamu; Mogami, Atsuhiko; Kaneko, Kazuo

2017-06-01

Bipolar hip arthroplasty is a good option for treating femoral neck fractures, although some contraindications have been indicated. We report a case of intraoperative dislocation of the trial bipolar cup into the pelvis during bipolar hip arthroplasty. A 74-year-old woman underwent bipolar hip arthroplasty for a femoral neck fracture (AO31-B2). She was placed in a lateral decubitus position, and a direct lateral approach was used. During intraoperative trial reduction, the trial bipolar cup became disengaged and dislocated into the anterior space of hip joint. Several attempts to retrieve it failed. The permanent femoral component was inserted, and the wound was closed. The patient was repositioned supine to allow an ilioinguinal approach, and the component was easily removed. She had an uneventful, good recovery. Several cases of intraoperative dislocation of the femoral trial head during total hip arthroplasty have been reported, this is the first report of dislocation of a bipolar trial cup. A previous report described difficulty retrieving a trial cup. We easily removed our trial cup using another approach. It is vital to plan systematically for this frustrating complication.

High-quality AlN epitaxy on nano-patterned sapphire substrates prepared by nano-imprint lithography.

PubMed

Zhang, Lisheng; Xu, Fujun; Wang, Jiaming; He, Chenguang; Guo, Weiwei; Wang, Mingxing; Sheng, Bowen; Lu, Lin; Qin, Zhixin; Wang, Xinqiang; Shen, Bo

2016-11-04

We report epitaxial growth of AlN films with atomically flat surface on nano-patterned sapphire substrates (NPSS) prepared by nano-imprint lithography. The crystalline quality can be greatly improved by using the optimized 1-μm-period NPSS. The X-ray diffraction ω-scan full width at half maximum values for (0002) and (102) reflections are 171 and 205 arcsec, respectively. The optimized NPSS contribute to eliminating almost entirely the threading dislocations (TDs) originating from the AlN/sapphire interface via bending the dislocations by image force from the void sidewalls before coalescence. In addition, reducing the misorientations of the adjacent regions during coalescence adopting the low lateral growth rate is also essential for decreasing TDs in the upper AlN epilayer.

High-quality AlN epitaxy on nano-patterned sapphire substrates prepared by nano-imprint lithography

NASA Astrophysics Data System (ADS)

Zhang, Lisheng; Xu, Fujun; Wang, Jiaming; He, Chenguang; Guo, Weiwei; Wang, Mingxing; Sheng, Bowen; Lu, Lin; Qin, Zhixin; Wang, Xinqiang; Shen, Bo

2016-11-01

We report epitaxial growth of AlN films with atomically flat surface on nano-patterned sapphire substrates (NPSS) prepared by nano-imprint lithography. The crystalline quality can be greatly improved by using the optimized 1-μm-period NPSS. The X-ray diffraction ω-scan full width at half maximum values for (0002) and (102) reflections are 171 and 205 arcsec, respectively. The optimized NPSS contribute to eliminating almost entirely the threading dislocations (TDs) originating from the AlN/sapphire interface via bending the dislocations by image force from the void sidewalls before coalescence. In addition, reducing the misorientations of the adjacent regions during coalescence adopting the low lateral growth rate is also essential for decreasing TDs in the upper AlN epilayer.

High-quality AlN epitaxy on nano-patterned sapphire substrates prepared by nano-imprint lithography

PubMed Central

Zhang, Lisheng; Xu, Fujun; Wang, Jiaming; He, Chenguang; Guo, Weiwei; Wang, Mingxing; Sheng, Bowen; Lu, Lin; Qin, Zhixin; Wang, Xinqiang; Shen, Bo

2016-01-01

We report epitaxial growth of AlN films with atomically flat surface on nano-patterned sapphire substrates (NPSS) prepared by nano-imprint lithography. The crystalline quality can be greatly improved by using the optimized 1-μm-period NPSS. The X-ray diffraction ω-scan full width at half maximum values for (0002) and (102) reflections are 171 and 205 arcsec, respectively. The optimized NPSS contribute to eliminating almost entirely the threading dislocations (TDs) originating from the AlN/sapphire interface via bending the dislocations by image force from the void sidewalls before coalescence. In addition, reducing the misorientations of the adjacent regions during coalescence adopting the low lateral growth rate is also essential for decreasing TDs in the upper AlN epilayer. PMID:27812006

Geometrical Characteristics of Cd-Rich Inclusion Defects in CdZnTe Materials

NASA Astrophysics Data System (ADS)

Xu, Chao; Sheng, Fengfeng; Yang, Jianrong

2017-08-01

The geometrical characteristics of Cd-rich inclusion defects in CdZnTe crystals have been investigated by infrared transmission (IRT) microscopy and chemical etching methods, revealing that they are composed of a Cd-rich inclusion core zone with high dislocation density and defect extension belts. Based on the experimental results, the orientation and shape of these belts were determined, showing that their extension directions in three-dimensional (3-D) space are along <211> crystal orientation. To explain the observed IRT images of Cd-rich inclusion defects, a 3-D model with plate-shaped structure for dislocation extension belts is proposed. Greyscale IRT images of dislocation extension belts thus depend on their absorption layer thickness. Assuming that defects can be discerned by IRT microscopy only when their absorption layer thickness is greater than twice that of the plate-shaped dislocation extension belts, this 3-D defect model can rationalize the IRT images of Cd-rich inclusion defects.

Dislocation Density Reduction in Cadmium Telluride and Mercury Cadmium Telluride Grown on Silicon Using Thermal Cycle Annealing

NASA Astrophysics Data System (ADS)

Farrell, Stuart Bennett

Mercury Cadmium Telluride (HgCdTe) is a material of great importance for infrared focal plane array applications. In order to produce large format detector arrays this material needs to be grown on a large area substrate, with silicon being the most mature substrate, it is the optimal choice for large format arrays. To help mitigate the effect of the lattice mismatch between the two materials, cadmium telluride (CdTe) is used as a buffer layer. The CdTe itself has nearly the same lattice mismatch (19.3%) to silicon, but due to the technological advantages it offers and compatibility with HgCdTe, it is the best buffer layer choice. The lattice mismatch between HgCdTe/CdTe and the silicon substrate leads to the formation of dislocations at densities in the mid 106 to low 107 cm-2 range in the epilayers. Such a high dislocation density greatly effects detector device performance quantities such as operability and sensitivity. Hence, the dislocation density should be brought down by at least an order of magnitude by adopting novel in situ and ex situ material processing techniques. In this work, in situ and ex situ thermal cycle annealing (TCA) methods have been used to decrease dislocation density in CdTe and HgCdTe. During the molecular beam epitaxial (MBE) growth of the CdTe buffer layer, the growth was interrupted and the layer was subjected to an annealing cycle within the growth chamber under tellurium overpressure. During the annealing cycle the temperature is raised to beyond the growth temperature (290 → 550 °C) and then allowed to cool before resuming growth again. This process was repeated several times during the growth. After growth, a portion of the material was subjected to a dislocation decoration etch in order to count the etch pit density (EPD) which has a direct correspondence with the dislocation density in the crystal. The crystalline quality was also characterized by x-ray diffraction rocking curves and photoluminescence. The in situ TCA resulted in almost a two order of magnitude reduction in the dislocation density, and factor of two reduction in the full width at half maximum of the x-ray rocking curves. Photoluminescence also suggested a decrease in the number of dislocations present in the material. This decrease is attributed to the movement of the dislocations during the annealing cycles and their subsequent interaction and annihilation. To decrease the dislocation density in HgCdTe layers grown on CdTe/Si composite substrates, ex situ TCA has been performed in a sealed quartz ampoule under a mercury overpressure in a conventional clam-shell furnace. The reduction in the dislocation density has been studied as a function of growth/annealing parameters such as the initial (as grown) dislocation density, buffer layer quality, Hg overpressure, annealing temperature, annealing duration, and the number of annealing cycles. It was found that the primary parameters that affect dislocation density reduction are the annealing temperature and the number of annealing cycles. Some secondary affects were observed by varying the duration spent at the maximum annealing temperature. Parameters such as the initial dislocation density and buffer layer quality did not play a significant role in dislocation reduction. Though no correlation between Hg overpressure and dislocation density was found, it did play a vital role in maintaining the quality of the surface. By using the ex situ TCA, a dislocation density of 1 x 106 cm-2 could be reliably and consistently achieved in HgCdTe layers that had a starting density ranging from 0.5 -- 3 x 107 cm-2. Examination of the annealing parameters revealed an exponential decay in the dislocation density as a function of increasing number of annealing cycles. In addition, a similar exponential decay was observed between the dislocation density and the annealing temperature. The decrease in the dislocation density is once again attributed to moving dislocations that interact and annihilate. This behavior was modeled using a second order reaction equation. It was found that the results of the model closely agreed with the experimental values for a wide range of annealing temperatures and number of annealing cycles.

Thickness and Elasticity of Gram-Negative Murein Sacculi Measured by Atomic Force Microscopy

PubMed Central

Yao, X.; Jericho, M.; Pink, D.; Beveridge, T.

1999-01-01

Atomic force microscopy was used to measure the thickness of air-dried, collapsed murein sacculi from Escherichia coli K-12 and Pseudomonas aeruginosa PAO1. Air-dried sacculi from E. coli had a thickness of 3.0 nm, whereas those from P. aeruginosa were 1.5 nm thick. When rehydrated, the sacculi of both bacteria swelled to double their anhydrous thickness. Computer simulation of a section of a model single-layer peptidoglycan network in an aqueous solution with a Debye shielding length of 0.3 nm gave a mass distribution full width at half height of 2.4 nm, in essential agreement with these results. When E. coli sacculi were suspended over a narrow groove that had been etched into a silicon surface and the tip of the atomic force microscope used to depress and stretch the peptidoglycan, an elastic modulus of 2.5 × 107 N/m2 was determined for hydrated sacculi; they were perfectly elastic, springing back to their original position when the tip was removed. Dried sacculi were more rigid with a modulus of 3 × 108 to 4 × 108 N/m2 and at times could be broken by the atomic force microscope tip. Sacculi aligned over the groove with their long axis at right angles to the channel axis were more deformable than those with their long axis parallel to the groove axis, as would be expected if the peptidoglycan strands in the sacculus were oriented at right angles to the long cell axis of this gram-negative rod. Polar caps were not found to be more rigid structures but collapsed to the same thickness as the cylindrical portions of the sacculi. The elasticity of intact E. coli sacculi is such that, if the peptidoglycan strands are aligned in unison, the interstrand spacing should increase by 12% with every 1 atm increase in (turgor) pressure. Assuming an unstressed hydrated interstrand spacing of 1.3 nm (R. E. Burge, A. G. Fowler, and D. A. Reaveley, J. Mol. Biol. 117:927–953, 1977) and an internal turgor pressure of 3 to 5 atm (or 304 to 507 kPa) (A. L. Koch, Adv. Microbial Physiol. 24:301–366, 1983), the natural interstrand spacing in cells would be 1.6 to 2.0 nm. Clearly, if large macromolecules of a diameter greater than these spacings are secreted through this layer, the local ordering of the peptidoglycan must somehow be disrupted. PMID:10559150

Skin blood flow with elastic compressive extravehicular activity space suit.

PubMed

Tanaka, Kunihiko; Gotoh, Taro M; Morita, Hironobu; Hargens, Alan R

2003-10-01

During extravehicular activity (EVA), current space suits are pressurized with 100% oxygen at approximately 222 mmHg. A tight elastic garment, or mechanical counter pressure (MCP) suit that generates pressure by compression, may have several advantages over current space suit technology. In this study, we investigated local microcirculatory effects produced with negative ambient pressure with an MCP sleeve. The MCP glove and sleeve generated pressures similar to the current space suit. MCP remained constant during negative pressure due to unchanged elasticity of the material. Decreased skin capillary blood flow and temperature during MCP compression was counteracted by greater negative pressure or a smaller pressure differential.

Predictions of the shear response of (Mg,Fe)SiO3 post-perovskite

NASA Astrophysics Data System (ADS)

Metsue, A.; Tsuchiya, T.

2011-12-01

Observation of seismic data put in forth evidence of a spatial anisotropy in the seismic wave velocities in the D'' layer, the lowermost part of the mantle. (Mg,Fe)SiO3 post-perovskite (PPv) is thought to be the most abundant phase in this part of the mantle, and this mineral exhibits a strong elastic anisotropy and may contribute significantly to the seismic anisotropy in the D'' layer. However, the seismic anisotropy cannot be expressed at the rock scale if the orientations of the grains are distributed randomly. Consequently, the formation of lattice preferred orientations with an anisotropic mechanism of plasticity, such as dislocation creep, can cause the seismic anisotropy in the D'' layer. Some experiments have been done on the plasticity of pure and Fe-bearing MgSiO3 post-perovskite and lead to textures of deformation dominated by the (100) and (110) slip planes (Merkel et al., 2007) and by the (001) slip plane (Miyagi et al., 2010). On the other hand, theoretical calculations on the dislocations mobility on pure MgSiO3 (Carrez et al., 2007; Metsue et al., 2009) suggested a texture dominated by the (010) slip plane. A first step to understanding the mechanisms of plasticity and, therefore, the shear wave splitting occurring in the deep Earth is to test the response of the PPv phase to a plastic shear in a geophysical relevant composition. In this study, we present new results from first-principles calculations on the shear response of pure and ferrous iron-bearing MgSiO3 PPv. The originality of this work is the use of internally consistent LSDA+U formalism to accurately describe the local interactions between the d-states of iron. About 8% of iron is incorporated in the high spin state as a Mg substitution defect, since several studies suggest that iron is in the high spin in the D'' layer pressure range (Stackhouse et al., 2006; Metsue and Tsuchiya, 2011). We also performed the calculations for incorporated iron in the low spin state if an eventual spin transition of Fe occurs. The response of the PPv to a plastic shear is investigated at 120 GPa through the calculations of the Generalized Stacking Faults (GSF) energy in pure and iron-bearing systems for ten potential {hkl} slip systems, since these latter are not well constrained for the PPv phase. The GSF energies are obtained by shearing homogeneously half of an infinite crystal over the other half for every slip plane and give the value of the ideal shear stress (ISS), which can be defined as the theoretical elastic limit of the crystal. The [100](001) slip system in pure and iron-bearing phases exhibits the lowest ISS and may play an important role in the plastic deformation of the PPv phase. The activation of this slip system is compatible with the observed shear wave splitting VSH>VSV. We show that incorporation of iron decreases the GSF energy and the ISS of all slip systems. We discuss the plastic anisotropy of pure and iron-bearing phases from the values of the ISS and the orientation of applied tensile stress. Our results suggest that the incorporation of ferrous iron in the PPv phase has a limited effect on its plastic anisotropy.

The two Faces of Equipartition

NASA Astrophysics Data System (ADS)

Sanchez-Sesma, F. J.; Perton, M.; Rodriguez-Castellanos, A.; Campillo, M.; Weaver, R. L.; Rodriguez, M.; Prieto, G.; Luzon, F.; McGarr, A.

2008-12-01

Equipartition is good. Beyond its philosophical implications, in many instances of statistical physics it implies that the available kinetic and potential elastic energy, in phase space, is distributed in the same fixed proportions among the possible "states". There are at least two distinct and complementary descriptions of such states in a diffuse elastic wave field u(r,t). One asserts that u may be represented as an incoherent isotropic superposition of incident plane waves of different polarizations. Each type of wave has an appropriate share of the available energy. This definition introduced by Weaver is similar to the room acoustics notion of a diffuse field, and it suffices to permit prediction of field correlations. The other description assumes that the degrees of freedom of the system, in this case, the kinetic energy densities, are all incoherently excited with equal expected amplitude. This definition, introduced by Maxwell, is also familiar from room acoustics using the normal modes of vibration within an arbitrarily large body. Usually, to establish if an elastic field is diffuse and equipartitioned only the first description has been applied, which requires the separation of dilatational and shear waves using carefully designed experiments. When the medium is bounded by an interface, waves of other modes, for example Rayleigh waves, complicate the measurement of these energies. As a consequence, it can be advantageous to use the second description. Moreover, each spatial component of the energy densities is linked, when an elastic field is diffuse and equipartitioned, to the component of the imaginary part of the Green function at the source. Accordingly, one can use the second description to retrieve the Green function and obtain more information about the medium. The equivalence between the two descriptions of equipartition are given for an infinite space and extended to the case of a half-space. These two descriptiosn are equivalent thanks to the relationship of average autocorrelations with the imaginary part of Green function at the source. Preliminary results are displayed in data sets from Chilpancingo, Mexico, and the Tautona Gold Mine, South Africa, that strongly suggest that equipartition, that guarantees the diffuse nature of seismic fields, has more than one face. Acknowledgements. Partial supports from DGAPA-UNAM, Project IN114706, Mexico; from Proyect MCyT CGL2005-05500-C02/BTE, Spain; from project DyETI of INSU-CNRS, France, and from the Instituto Mexicano del Petróleo are greatly appreciated.

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

Development and evaluation of gas-pressurized elastic sleeves for extravehicular activity.

PubMed

Tanaka, Kunihiko; Tohnan, Momoka; Abe, Chikara; Iwata, Chihiro; Yamagata, Kenji; Tanaka, Masao; Tanaka, Nobuyuki; Morita, Hironobu

2010-07-01

In space, mobility of the current extravehicular activity space suit is limited due to the pressure differential between the inside and outside of the suit. We have previously demonstrated that an elastic glove increased mobility when compared with a non-elastic glove such as that found in the current suit. Extending this work, we hypothesized that an elastic sleeve would also have more mobility compared to a non-elastic sleeve, but a partially elastic sleeve, consisting of elastic joints sewn to non-elastic parts in low mobility areas, might generate similar mobility to a wholly elastic sleeve. The right arms of 10 volunteers were studied with wholly elastic, partially elastic, and non-elastic sleeves in a chamber pressure of -220 mmHg. Range of motion (ROM) of the wrist and electromyography (EMG) of the flexor carpi radialis muscle and the biceps brachii muscle during wrist and elbow flexion were measured. ROM of the wrist was similar among all the sleeves. However, EMG amplitudes during wrist flexion with both elastic sleeves were significantly smaller than that with the non-elastic sleeve. EMG amplitudes during 90 degrees of elbow flexion were also significantly smaller in both elastic sleeves. However, no significant difference in EMG amplitudes was observed between the two elastic sleeves (0.53 +/- 0.06, 0.56 +/- 0.07, 1.14 +/- 0.10 V for wholly elastic, partially elastic, and non-elastic sleeves, respectively). The mobility of elastic sleeves is better than that of a non-elastic sleeve. Elasticity over the joints is important; however the elasticity of the other parts does not appear to affect mobility.

Removing Shape-Preserving Transformations in Square-Root Elastic (SRE) Framework for Shape Analysis of Curves

PubMed Central

Joshi, Shantanu H.; Klassen, Eric; Srivastava, Anuj; Jermyn, Ian

2011-01-01

This paper illustrates and extends an efficient framework, called the square-root-elastic (SRE) framework, for studying shapes of closed curves, that was first introduced in [2]. This framework combines the strengths of two important ideas - elastic shape metric and path-straightening methods - for finding geodesics in shape spaces of curves. The elastic metric allows for optimal matching of features between curves while path-straightening ensures that the algorithm results in geodesic paths. This paper extends this framework by removing two important shape preserving transformations: rotations and re-parameterizations, by forming quotient spaces and constructing geodesics on these quotient spaces. These ideas are demonstrated using experiments involving 2D and 3D curves. PMID:21738385