Related papers: Anisotropy in interface stress at the BCC-iron sol…
We predict the structural interaction of crystalline solid-melt interfaces using amplitude equations which are derived from classical density functional theory or phase-field-crystal modeling. The solid ordering decays exponentially on the…
Tension-compression asymmetry is a notable feature of plasticity in bcc single crystals. Recent experiments reveal striking differences in the plasticity of bcc nanopillars for tension and compression. Here we present results from molecular…
Friction force acting on silver and nickel nanoparticles sheared on a graphene sheet in different lateral directions is investigated using classical molecular dynamics simulations. The results reveal the existence of frictional anisotropy…
A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is based on an extended deconvolution of the Mayer…
We have developed a new and user-friendly interface energy calculation method that avoids problems deriving from numerical differences between bulk and slab calculations, such as the number of k points along the direction perpendicular to…
The electric field effect on magnetic anisotropy was studied in an ultrathin Fe(001) monocrystalline layer sandwiched between Cr buffer and MgO tunnel barrier layers, mainly through post-annealing temperature and measurement temperature…
This paper aims to elucidate the role of interface energy anisotropy in orientation selection during nucleation of new grains in a polycrystalline film growth. An assessment of (heterogeneous) nucleation probability as function of…
Rapid solidification in Additively Manufactured (AM) metallic materials results in the development of significant microscale internal stresses, which are attributed to the printing induced dislocation substructures. The resulting backstress…
Driven by the growing interest in numerical simulations of dislocation-interface interactions in general crystalline materials with elastic anisotropy, we develop algorithms for the integration of interface tractions needed to couple…
Instability of a binary eutectic solidification front to morphological perturbations due to rejection of a ternary impurity leads to the formation of eutectic colonies. Whereas, the instability dynamics and the resultant mi- crostructural…
The influence of the external pressure and surface energy on the wetting transition at nanotextured interfaces is studied using molecular dynamics and continuum simulations. The surface roughness of the composite interface is introduced via…
We study the modification of the magnetocrystalline anisotropy (MCA) of Co slabs induced by several different conjugated molecular overlayers, i.e., benzene, cyclooctatetraene, naphthalene, pyrene and coronene. We perform first-principles…
Recently, perpendicular magnetic anisotropy (PMA) and its voltage control (VC) was demonstrated for Cr/Fe/MgO (Physical Review Applied 5, 044006 (2016)). In this study, we shed a light on the origin of large voltage-induced anisotropy…
One of the important factors governing the growth morphology of materials is the interface kinetic coefficient \mu, which is the proportionality constant between the velocity of solid-liquid interface and undercooling. We employ…
This paper considers a steady-state crack propagating along an interface between dissimilar orthotropic materials under an asymmetric load. Although most of the known results so far deal with symmetric loading, it has been shown recently…
Very high magnetic anisotropies have been theoretically predicted for strained Fe-Co(-X) and indeed several experiments on epitaxial thin films seemed to confirm strain induced anisotropy enhancement. This study presents a critical analysis…
We study interfacial magnetocrystalline anisotropies in various Fe/semiconductor heterostructures by means of first-principles calculations. We find that many of those systems show perpendicular magnetic anisotropy (PMA) with a positive…
We derive the amplitude expansion for a phase-field-crystal (APFC) model that captures the basic physics of magneto-structural interactions. The symmetry breaking due to magnetization is demonstrated, and the characterization of the…
High-pressure experiments using diamond anvils have revealed novel properties and phase behavior of H2O under extreme conditions. When contained in diamond-anvil cells, the H2O samples are usually in direct contact with the diamond anvil.…
A flat sheet programmed with a planar pattern of spontaneous shape change will morph into a curved surface. Such metric mechanics is seen in growing biological sheets, and may be engineered in actuating soft matter sheets such as…