Related papers: Phase-field crystal study of grain-boundary premel…
An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline…
We present the study of bound surface modes sustained at the termination of truncated bulk dielectric photonic crystals and isolated metasurfaces of dielectric meta-atoms. We discuss the origins of bound modes in the two systems and their…
We extend the Cahn-Landau-de Gennes mean field theory of binary mixtures to understand the wetting thermodynamics of a three phase system, that is in contact with an external surface which prefers one of the phases. We model the system…
Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…
The effect of thermal fluctuations near a contact line of a liquid interface partially wetting an impenetrable substrate is studied analytically and numerically. Promoting both the interface profile and the contact line position to random…
Grain boundary sliding is typically associated with high temperature deformation in engineering alloys. Here, we examine grain boundary sliding at room temperature in oxygen-free high-conductivity copper under quasi-static tensile testing.…
We perform atomistic Monte Carlo simulations of bending a Lennard-Jones single crystal in two dimensions. Dislocations nucleate only at the free surface as there are no sources in the interior of the sample. When dislocations reach…
By large-scale quantum Monte Carlo simulations we show that grain boundaries in Helium-4 crystals are generically superfluid at low temperature, with a transition temperature of the order of ~0.5K at the melting pressure; insulating grain…
We apply self consistent field theory to twist grain boundaries of block copolymer melts. The distribution of monomers throughout the grain boundary is obtained as well as the grain boundary free energy per unit area as a function of twist…
We consider the van der Waals' free energy functional, with a scaling small parameter epsilon, in the plane domain given by the first quadrant, and inhomogeneous Dirichlet boundary conditions. The boundary data are chosen in such a way that…
Engineering atomic-scale defects is crucial for realizing wafer-scale, single-crystalline transition metal dichalcogenide monolayers for electronic devices. However, connecting atomic-scale defects to larger morphologies poses a significant…
The microstructure evolution due to thermomechanical treatment of metals can largely be described by viscoplastic deformation, nucleation and grain growth. These processes take place over different length and time scales which present…
Grain boundary sliding (GBS) is a key deformation mechanism at high homologous temperatures in polycrystalline materials, however, its intrinsic behavior is often obscured by additional strain accommodation processes. In this study,…
In contrast to ordinary ferroelectrics where the temperature, Tm, of the permittivity maximum monotonically increases with bias field, E, in (1-x)PbMg1/3Nb2/3O3-(x)PbTiO3 (0<x<0.35) single crystals, Tm was found to remain constant or…
We study the equilibrium configuration of a nematic liquid crystal bounded by a rough surface. The wrinkling of the surface induces a partial melting in the degree of orientation. This softened region penetrates the bulk up to a length…
We analyze the quantum melting of two-dimensional Wigner molecules (WM) in confined geometries with distinct symmetries and compare it with corresponding thermal melting. Our findings unfold complementary mechanisms that drive the quantum…
The forward transformation from face centered cubic austenite to body centered cubic/tetragonal martensite in ferrous alloys can significantly in- fluence the microstructure and mechanical properties of the material. Inferring possible high…
In this paper we analyse the behaviour of a pile-up of vertically periodic walls of edge dislocations at an obstacle, represented by a locked dislocation wall. Starting from a continuum non-local energy $E_\gamma$ modelling the…
The problem of measuring nontrivial static correlations in deeply supercooled liquids made recently some progress thanks to the introduction of amorphous boundary conditions, in which a set of free particles is subject to the effect of a…
Melting kinetics of polycrystalline materials is analyzed on the basis of a new model which explicitly couples homogeneous and heterogeneous melting mechanisms. The distinct feature of this approach lies in its ability to evaluate not only…