Related papers: Calculation of dislocation positions and curved tr…
We study a one-dimensional model of a dislocation pileup driven by an external stress and interacting with random quenched disorder, focusing on predictability of the plastic deformation process. Upon quasistatically ramping up the…
Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…
Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, posing significant challenges in processing and major concerns for damage tolerance. The brittleness is largely dictated by the screw dislocation core; the…
Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed discrete-continuum computations of the Peierls-Nabarro type…
We have employed the semidiscrete variational generalized Peierls-Nabarro model to study the dislocation core properties of aluminum. The generalized stacking fault energy surfaces entering the model are calculated by using first-principles…
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…
We revisit some recents results inspired by the Peierls-Nabarro model on edge dislocations for crystals which rely on the fractional Laplace representation of the corresponding equation. In particular, we discuss results related to…
Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…
In body-centered cubic (bcc) metals such as molybdenum, screw dislocations often exhibit non-Schmid behavior, moving in directions unpredicted by the Schmid law. The mobility of these dislocations is notably influenced by the presence of…
We examine the discontinuous first-order superfluid $^3$He A to B transition in the vicinity of the polycritical point (2.232 mK and 21.22 bar). We find path-dependent transitions: cooling at fixed pressure yields a well defined transition…
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…
A statistical mechanics model for a faceted crystal is the 3D Ising model at zero temperature. It is assumed that in one octant all sites are occupied by atoms, the remaining ones being empty. Allowed atom configurations are such that they…
Dislocation velocities and mobilities are studied by Molecular Dynamics simulations for edge and screw dislocations in pure aluminum and nickel, and edge dislocations in Al-2.5%Mg and Al-5.0%Mg random substitutional alloys using EAM…
The stability of the perfect screw dislocation in silicon has been investigated using both classical potentials and first-principles calculations. Although a recent study by Koizumi et al . stated that the stable screw dislocation was…
Smectic liquid crystals are charcterized by layers that have a preferred uniform spacing and vanishing curvature in their ground state. Dislocations in the smectics play an important role in phase nucleation, layer reorientation, and…
Movement of edge (line) dislocations in FCC steel 310S is shown to depend on the size on nanoscale structures, based on modeling withing molecular dynamics (MD). The effect is attributed to time (and size) dependencies of pressure…
We present a thermodynamic description of crystal plasticity. Our formulation is based on the Langer-Bouchbinder-Lookman thermodynamic dislocation theory (TDT), which asserts the fundamental importance of an effective temperature that…
We describe an analysis of neutron transport in the interior of model pebble bed reactor (PBR) cores, considering both crystal and random pebble arrangements. Monte Carlo codes were developed for (i) generating random realizations of the…
In body-centered cubic (bcc) crystals, ${1}{2}111$ screw dislocations exhibit high intrinsic lattice friction as a consequence of their non-planar core structure, which results in a periodic energy landscape known as the Peierls potential,…
Non-singular dislocation continuum theories are studied. A comparison between Peierls-Nabarro dislocations and straight dislocations in strain gradient elasticity is given. The non-singular displacement fields, non-singular stresses,…