Related papers: Stacking faults and the {\gamma}-surface on {1-101…
We use first-principles density functional theory to study the generalized stacking fault energy surfaces for pyramidal-I and pyramidal-II slip systems in Mg. We demonstrate that the additional relaxation of atomic motions normal to the…
Compared to cubic metals, whose primary slip mode includes twelve equivalent systems, the lower crystalline symmetry of hexagonal close-packed metals results in a reduced number of equivalent primary slips and anisotropy in plasticity,…
Plasticity in hexagonal close-packed zirconium is mainly controlled by the glide of dislocations with 1/3<1-210> Burgers vectors. As these dislocations cannot accommodate deformation in the [0001] direction , twinning or glide of <c+a>…
Alloying magnesium (Mg) with rare earth elements such as yttrium (Y) has been reported to activate the pyramidal <c + a> slip systems and improve the plasticity of Mg at room temperature. However, the origins of such dislocations and their…
Atomistic simulations, based either on an empirical interatomic potential or on ab initio calculations, are used to study the pyramidal glide of a 1/3 <1-210> screw dislocation in hexagonal close-packed zirconium. Generalized stacking fault…
Basal slip of a screw dislocations in hexagonal closed-packed titanium is investigated with ab initio calculations. We show that a basal dissociation is highly unstable and reconfigures to other structures dissociated in a first order…
Basal slip acts as a secondary deformation mode in hexagonal close-packed titanium and becomes one of the primary mechanisms in titanium alloyed with simple metals. As these solute elements also lead to a pronounced reduction of the energy…
In the limit of vanishing lattice spacing we provide a rigorous variational coarse-graining result for a next-to-nearest neighbor lattice model of a simple crystal. We show that the $\Gamma$-limit of suitable scaled versions of the model…
The deformation behaviour of the intermetallic Al$_{2}$Cu-phase was investigated using atomistic simulations and micropillar compression, where slip on the unexpected {211} and {022} slip planes was revealed. Additionally, all possible slip…
Although the favored glide planes in hexagonal close-packed Zr are prismatic, screw dislocations can escape their habit plane to glide in either pyramidal or basal planes. Using abinitio calculations within the nudged elastic band method,…
Plasticity in hexagonal close-packed zirconium is controlled by screw dislocations which easily glide in the prismatic planes where they are dissociated. At high enough temperatures, these dislocations can deviate out of the prism planes to…
Disappearance of a stacking fault in the hard-sphere crystal under gravity, such as reported by Zhu et al. [Nature 387 (1997) 883], has successfully been demonstrated by Monte Carlo simulations. We previously found that a less ordered (or…
Ti exhibits complex plastic deformation controlled by active dislocation and twinning systems. Understandings on dislocation cores and twin interfaces are currently not complete or quantitative, despite extensive experimental and simulation…
Sapphire and rubies (undoped and Cr-doped $\alpha$-Al$_2$O$_3$ single crystals) have been deformed in compression at temperatures lower than those previously used in studies of dislocations in the basal slip plane (see part I). Above…
Incomplete stacking dislocations are predicted to form at edges of the shorter upper layer in two-dimensional hexagonal bilayers upon stretching the longer bottom layer. A concept of the edge Burgers vector is introduced to describe such…
Dislocation interactions at the crack nucleation site were investigated in near-alpha titanium alloy Ti-6242Si subjected to low cycle fatigue. Cyclic plastic strain in the alloy resulted in dislocation pile-ups in the primary alpha grains,…
In the first part of this paper, a review is given on the mechanism for the disappearance of an intrinsic stacking fault in a hard-sphere (HS) crystal under gravity, which we recently discovered by Monte Carlo (MC) simulations [A. Mori et…
(a+c) dislocations in hexagonal materials are typically observed to be dissociated into partial dislocations. Edge (a+c) dislocations are introduced into (0001) nitride semiconductor layers by the process of plastic relaxation. As there is…
Plasticity in hexagonal close packed (HCP) metals and alloys such as Titanium (Ti) and Zirconium (Zr) is carried out by the motion of $\langle a \rangle$ dislocations. Above room temperature, in situ transmission electron microscopy…
We present a general scheme for analyzing the structure and mobility of dislocations based on solutions of the Peierls-Nabarro model with a two component displacement field and restoring forces determined from the ab-initio generalized…