Dislocation Core Energies and Core Fields from First Principles

Ab initio calculations in bcc iron show that a screw dislocation induces a short-range dilatation field in addition to the Volterra elastic field. This core field is modeled in anisotropic elastic theory using force dipoles. The elastic modeling thus better reproduces the atom displacements observed in ab initio calculations. Including this core field in the computation of the elastic energy allows deriving a core energy which converges faster with the cell size, thus leading to a result which does not depend on the geometry of the dislocation array used for the simulation.Comment: DOI: 10.1103/PhysRevLett.102.05550

Sliding Crack Model for Nonlinearity and Hysteresis in the Triaxial Stress‐Strain Curve of Rock, and Application to Antigorite Deformation

Under triaxial deviatoric loading at stresses below failure, rocks generally exhibit nonlinearity and hysteresis in the stress‐strain curve. In 1965, Walsh first explained this behavior in terms of frictional sliding along the faces of closed microcracks. The hypothesis is that crack sliding is the dominant mode of rock inelasticity at moderate compressive stresses for certain rock types. Here we extend the model of David et al. (2012, https://doi.org/10.1016/j.ijrmms.2012.02.001) to include (i) the effect of the confining stress; (ii) multiple load‐unload cycles; (iii) calculation of the dissipated strain energy upon unload‐reload; (iv) either frictional or cohesive behavior; and (v) either aligned or randomly oriented cracks. Closed‐form expressions are obtained for the effective Young's modulus during loading, unloading, and reloading, as functions of the mineral's Young's modulus, the crack density, the crack friction coefficient and cohesion for the frictional and cohesive sliding models, respectively, and the crack orientation in the case of aligned cracks. The dissipated energy per cycle is quadratic and linear in stress for the frictional and cohesive models, respectively. Both models provide a good fit to a cyclic loading data set on polycrystalline antigorite, based on a compilation of literature and newly acquired data, at various pressures and temperatures. At high pressure, with increasing temperature, the model results reveal a decrease in friction coefficient and a transition from a frictionally to a cohesively controlled behavior. New measurements of fracture toughness and tensile strength provide quantitative support that inelastic behavior in antigorite is predominantly caused by shear crack sliding and propagation without dilatancy

Dislocation core field. I. Modeling in anisotropic linear elasticity theory

Aside from the Volterra field, dislocations create a core field, which can be modeled in linear anisotropic elasticity theory with force and dislocation dipoles. We derive an expression of the elastic energy of a dislocation taking full account of its core field and show that no cross term exists between the Volterra and the core fields. We also obtain the contribution of the core field to the dislocation interaction energy with an external stress, thus showing that dislocation can interact with a pressure. The additional force that derives from this core field contribution is proportional to the gradient of the applied stress. Such a supplementary force on dislocations may be important in high stress gradient regions, such as close to a crack tip or in a dislocation pile-up

Predicting dislocation climb: Classical modeling versus atomistic simulations

The classical modeling of dislocation climb based on a continuous description of vacancy diffusion is compared to recent atomistic simulations of dislocation climb in body-centered cubic iron under vacancy supersaturation [Phys. Rev. Lett. 105 095501 (2010)]. A quantitative agreement is obtained, showing the ability of the classical approach to describe dislocation climb. The analytical model is then used to extrapolate dislocation climb velocities to lower dislocation densities, in the range corresponding to experiments. This allows testing of the validity of the pure climb creep model proposed by Kabir et al. [Phys. Rev. Lett. 105 095501 (2010)]

Edge dislocations in crystal structures considered as traveling waves of discrete models

The static stress needed to depin a 2D edge dislocation, the lower dynamic stress needed to keep it moving, its velocity and displacement vector profile are calculated from first principles. We use a simplified discrete model whose far field distortion tensor decays algebraically with distance as in the usual elasticity. An analytical description of dislocation depinning in the strongly overdamped case (including the effect of fluctuations) is also given. A set of $N$ parallel edge dislocations whose centers are far from each other can depin a given one provided $N=O(L)$, where $L$ is the average inter-dislocation distance divided by the Burgers vector of a single dislocation. Then a limiting dislocation density can be defined and calculated in simple cases.Comment: 10 pages, 3 eps figures, Revtex 4. Final version, corrected minor error

Pre-main sequence stars in the Lagoon Nebula (M8)

We report the discovery of new pre-main sequence (PMS) stars in the Lagoon Nebula (M8) at a distance of 1.25 kpc, based on intermediate resolution spectra obtained with the Boller & Chivens spectrograph at the 6.5-m Magellan I telescope (Las Campanas Observatory, Chile). According to the spectral types, the presence of emission lines and the lithium 6708A absorption line, we are able to identify 27 classical T Tauri stars, 7 weak-lined T Tauri stars and 3 PMS emission objects with spectral type G, which we include in a separated stellar class denominated "PMS Fe/Ge class". Using near-infrared photometry either from 2MASS or from our own previous work we derive effective temperatures and luminosities for these stars and locate them in the Hertzsprung-Russell diagram, in order to estimate their masses and ages. We find that almost all of our sample stars are younger than 3 10^6 years and span over a range of masses between 0.8 and 2.5 Msun. A cross-correlation between our spectroscopic data and the X-ray sources detected with the Chandra ACIS instrument is also presented.Comment: 18 pages, 15 figures, MNRAS, in pres

Giant Magnetoelectric Effect via Strain-Induced Spin-Reorientation Transitions in Ferromagnetic Films

It is shown theoretically that a giant magnetoelectric susceptibility exceeding 10^-6 s/m may be achieved in the ferromagnetic/ferroelectric epitaxial systems via the magnetization rotation induced by an electric field applied to the substrate. The predicted magnetoelectric anomaly results from the strain-driven spin-reorientation transitions in ferromagnetic films, which take place at experimentally accessible misfit strains in CoFe2O4 and Ni films.Comment: 7 pages, 3 figure

Dislocation interactions mediated by grain boundaries

The dynamics of dislocation assemblies in deforming crystals indicate the emergence of collective phenomena, intermittent fluctuations and strain avalanches. In polycrystalline materials, the understanding of plastic deformation mechanisms depends on grasping the role of grain boundaries on dislocation motion. Here the interaction of dislocations and elastic, low angle grain boundaries is studied in the framework of a discrete dislocation representation. We allow grain boundaries to deform under the effect of dislocation stress fields and compare the effect of such a perturbation to the case of rigid grain boudaries. We are able to determine, both analytically and numerically, corrections to dislocation stress fields acting on neighboring grains, as mediated by grain boundary deformation. Finally, we discuss conclusions and consequences for the avalanche statistics, as observed in polycrystalline samples.Comment: 13 pages, 5 figure

Statistical approach to dislocation dynamics: From dislocation correlations to a multiple-slip continuum plasticity theory

Due to recent successes of a statistical-based nonlocal continuum crystal plasticity theory for single-glide in explaining various aspects such as dislocation patterning and size-dependent plasticity, several attempts have been made to extend the theory to describe crystals with multiple slip systems using ad-hoc assumptions. We present here a mesoscale continuum theory of plasticity for multiple slip systems of parallel edge dislocations. We begin by constructing the Bogolyubov-Born-Green-Yvon-Kirkwood (BBGYK) integral equations relating different orders of dislocation correlation functions in a grand canonical ensemble. Approximate pair correlation functions are obtained for single-slip systems with two types of dislocations and, subsequently, for general multiple-slip systems of both charges. The effect of the correlations manifests itself in the form of an entropic force in addition to the external stress and the self-consistent internal stress. Comparisons with a previous multiple-slip theory based on phenomenological considerations shall be discussed.Comment: 12 pages, 3 figure