Hydrogen-enhanced local plasticity in aluminum: an ab initio study

Dislocation core properties of Al with and without H impurities are studied using the Peierls-Nabarro model with parameters determined by ab initio calculations. We find that H not only facilitates dislocation emission from the crack tip but also enhances dislocation mobility dramatically, leading to macroscopically softening and thinning of the material ahead of the crack tip. We observe strong binding between H and dislocation cores, with the binding energy depending on dislocation character. This dependence can directly affect the mechanical properties of Al by inhibiting dislocation cross-slip and developing slip planarity.Comment: 4 pages, 3 figure

Dislocation core properties of \beta-tin: A first-principles study

Dislocation core properties of tin (\beta-Sn) were investigated using the semi-discrete variational Peierls-Nabarro model (SVPN). The SVPN model, which connects the continuum elasticity treatment of the long-range strain field around a dislocation with an approximate treatment of the dislocation core, was employed to calculate various core properties, including the core energetics, widths, and Peierls stresses for different dislocation structures. The role of core energetics and properties on dislocation character and subsequent slip behavior in \beta-Sn was investigated. For instance, this work shows that a widely spread dislocation core on the {110} plane as compared to dislocations on the {100} and {101} planes. Physically, the narrowing or widening of the core will significantly affect the mobility of dislocations as the Peierls stress is exponentially related to the dislocation core width in \beta-Sn. In general, the Peierls stress for the screw dislocation was found to be orders of magnitude higher than the edge dislocation, i.e., the more the edge component of a mixed dislocation, the greater the dislocation mobility (lower the Peierls stress). The largest Peierls stress observed was 365 MPa for the dislocation on the {101} plane. Furthermore, from the density plot, we see a double peak for the 0deg (screw) and 30deg dislocations which suggests the dissociation of dislocations along these planes. Thus, for the {101} slip system, we observed dislocation dissociation into three partials with metastable states. Overall, this work provides qualitative insights that aid in understanding the plastic deformation in \beta-Sn

Chiral anomaly in Dirac semimetals due to dislocations

The dislocation in Dirac semimetal carries an emergent magnetic flux parallel to the dislocation axis. We show that due to the emergent magnetic field the dislocation accommodates a single fermion massless mode of the corresponding low-energy one-particle Hamiltonian. The mode is propagating along the dislocation with its spin directed parallel to the dislocation axis. In agreement with the chiral anomaly observed in Dirac semimetals, an external electric field results in the spectral flow of the one-particle Hamiltonian, in pumping of the fermionic quasiparticles out from the vacuum, and in creating a nonzero axial (chiral) charge in the vicinity of the dislocation.Comment: 21 pages, 3 figure

Intermittent dislocation density fluctuations in crystal plasticity from a phase-field crystal model

Plastic deformation mediated by collective dislocation dynamics is investigated in the two-dimensional phase-field crystal model of sheared single crystals. We find that intermittent fluctuations in the dislocation population number accompany bursts in the plastic strain-rate fluctuations. Dislocation number fluctuations exhibit a power-law spectral density $1/f^2$ at high frequencies $f$. The probability distribution of number fluctuations becomes bimodal at low driving rates corresponding to a scenario where low density of defects alternate at irregular times with high population of defects. We propose a simple stochastic model of dislocation reaction kinetics that is able to capture these statistical properties of the dislocation density fluctuations as a function of shear rate

Scale-free phase field theory of dislocations

According to recent experimental and numerical investigations if the characteristic size of a specimen is in the submicron size regime several new interesting phenomena emerge during the deformation of the samples. Since in such a systems the boundaries play a crucial role, to model the plastic response of submicron sized crystals it is crucial to determine the dislocation distribution near the boundaries. In this paper a phase field type of continuum theory of the time evolution of an ensemble of parallel edge dislocations with identical Burgers vectors, corresponding to the dislocation geometry near boundaries, is presented. Since the dislocation-dislocation interaction is scale free ($1/r$), apart from the average dislocation spacing the theory cannot contain any length scale parameter. As shown, the continuum theory suggested is able to recover the dislocation distribution near boundaries obtained by discrete dislocation dynamics simulations

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

Screw dislocations in the field theory of elastoplasticity

A (microscopic) static elastoplastic field theory of dislocations with moment and force stresses is considered. The relationship between the moment stress and the Nye tensor is used for the dislocation Lagrangian. We discuss the stress field of an infinitely long screw dislocation in a cylinder, a dipole of screw dislocations and a coaxial screw dislocation in a finite cylinder. The stress fields have no singularities in the dislocation core and they are modified in the core due to the presence of localized moment stress. Additionally, we calculated the elastoplastic energies for the screw dislocation in a cylinder and the coaxial screw dislocation. For the coaxial screw dislocation we find a modified formula for the so-called Eshelby twist which depends on a specific intrinsic material length.Comment: 19 pages, LaTeX, 2 figures, Extended version of a contribution to the symposium on "Structured Media'' dedicated to the memory of Professor Ekkehart Kr\"oner, 16-21 September 2001, Pozna\'n, Poland. to appear in Annalen der Physik 11 (2002