Related papers: Theoretical study of dislocation nucleation from s…
In this work we study shock-induced plasticity in Mo single crystals, impacted along the <110> crystal orientation. In particular, the shear relaxation behind the shock front is quantitatively inspected. Molecular dynamics (MD) simulations…
Molecular static simulations have been performed to study the interaction between a single dislocation and a substitutional Al solute atom in a pure crystal of Ni. When the Al solute is situated at intermediate distance from the slip plane,…
We analyze the solution of the Schr\"odinger equation arising in the treatment of a geometric model introduced to explain the origin of the observed shallow levels in semiconductors threaded by a dislocation density. We show (contrary to…
The basic physics of nucleation in solid \hl{single-crystal} nanoparticles is revealed by a phase-field theory that includes surface energy, chemical reactions and coherency strain. In contrast to binary fluids, which form arbitrary contact…
Puzzling trends in surface stress were reported experimentally for Ni/W(110) as a function of Ni coverage. In order to explain this behavior, we have performed a density-functional-theory study of the surface stress and atomic structure of…
Amorphous silicon films prepared by electron beam evaporation have systematically and substantially greater atomic density for higher thickness, higher growth temperature, and slower deposition rate, reaching the density of crystalline Si…
A model is described, in which electrical breakdown in high-voltage systems is caused by stochastic fluctuations of the mobile dislocation population in the cathode. In this model, the mobile dislocation density normally fluctuates, with a…
We study numerically the equilibrium shapes, shape transitions and dislocation nucleation of small strained epitaxial islands with a two-dimensional atomistic model, using simple interatomic pair potentials. We first map out the phase…
Dislocation jogs have strong effects on dislocation motion that governs the strain-hardening behavior of crystalline solids, but how to properly account for their effect in mesoscale models remains poorly understood. We develop a mobility…
The theory of the dislocation motion in the periodic potential relief of the crystal lattice (the Peierls-Nabarro barriers) is reviewed. On the basis of the kink mechanism the temperature dependence of the flow stress is described for a…
Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…
To understand how dislocations form ordered structures during the deformation of metals, we perform computer simulation studies of the dynamics and patterning of screw dislocations in two dimensions. The simulation is carried out using an…
Ice nucleation from vapor presents a variety of challenges across a wide range of industries and applications including refrigeration, transportation, and energy generation. However, a rational comprehensive approach to fabricating…
We isolate single Schallamach waves --- detachment fronts that mediate inhomogeneous sliding between an elastomer and a hard surface --- to study their creation and dynamics. Based on measurements of surface displacement using high-speed…
A field theory is developed for a thermodynamical description of array of parallel non-singular screw dislocations in elastic cylinder. The partition function of the system is considered in the functional integral form. Self-energy of the…
In this laboratory-based study, a plate was designed, manufactured and then characterised thermally and dimensionally using a thermal imager. This plate comprised a range of known scratch, dent, thinning and pitting artefacts as mimics of…
We formulate a theoretical model of the shear failure of a thin film tethered to a rigid substrate. The interface between film and substrate is modeled as a cohesive layer with randomly fluctuating shear strength/fracture energy. We…
Delamination of thin films from the supportive substrates is critical issues in thin film industry and technology. The emergent two-dimensional materials, atomic layered materials, such as transition metal dichalcogenides are highly…
We study strain-controlled plastic deformation of crystalline solids via two-dimensional discrete dislocation dynamics simulations. To this end, we characterize the average stress-strain curves as well as the statistical properties of…
Supercooled liquid is described in terms of the theory of defected states of bond orientational order using the continuous theory of defects. It is shown that the initiation of a local orientation order leads to the breakdown of the initial…