Related papers: Anisotropy in interface stress at the BCC-iron sol…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks: MIL-53(Al), MIL-53(Ga), MIL-47 and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveal a…
It is well documented in many experiments that crystallographic effects play an important role in the generation of two-phase patterns during the solidification of eutectic alloys. In particular, in lamellar composites, large patches of…
Strongly anisotropic geomaterials undergo fracture under compressive loading. This paper applies a phase-field fracture model to study this fracture process. While phase-field fracture models have several advantages, they provide unphysical…
The nature of low-impurity ferromagnetism remains a challenging problem in the solid-state community due to the strong dependence of magnetic properties on composition, concentration, and structural geometry of diluted alloys. To address…
We study the nonlinear driven response and sliding friction behavior of the phase-field-crystal (PFC) model with pinning including both thermal fluctuations and inertial effects. The model provides a continuous description of adsorbed…
Nearly all standard force fields employ the 'sum-of-spheres' approximation, which models intermolecular interactions purely in terms of interatomic distances. Nonetheless, atoms in molecules can have significantly non-spherical shapes,…
Using molecular-dynamics simulation and finite-element modelling, we simulate nanoindentation into the three principal surfaces -- the (100), (110) and (111) surface -- of Cu and Al. In the elastic regime, the simulation data agree fairly…
We investigated electronic structure and magnetic anisotropy in the Fe/MgO interface of magnetic metal and dielectric insulator under the Cr layer of small electronegativity, by means of the first-principles density functional approach. The…
Directional solidification of water-based solutions has emerged as a versatile technique for templating hierarchical porous materials. However, the underlying mechanisms of pattern formation remain incompletely understood. In this work, we…
An intrinsic feature of nearly all internal interfaces in crystalline systems (homo- and hetero-phase) is the presence of disconnections (topological line defects constrained to the interface that have both step and dislocation character).…
The air-water interface is a highly prevalent phase boundary with a far-reaching impact on natural and industrial processes. Water molecules behave differently at the interface compared to the bulk, exhibiting anisotropic orientational…
The loading of a granular material induces anisotropies of the particle arrangement (fabric) and of the material's strength, incremental stiffness, and permeability. Thirteen measures of fabric anisotropy are developed, which are arranged…
We introduce new models that incorporate layer corrugation and interface roughness into standard approaches for measuring interface stress in nanomultilayers (NMLs). Applied to Cu/W NMLs, these models show that ignoring such features can…
A novel phase field material point method is introduced for robust simulation of dynamic fracture in elastic media considering the most general case of anisotropic surface energy. Anisotropy is explicitly introduced through a properly…
An effective computational framework of an anisotropic phase field model is used to explore the effects of interface properties, effective critical energy release rates and hole shapes on the failure process of fibre-reinforced composites…
This article is a continuation of our previous studies of the frictional anisotropy of metal nanoparticles on the surface of a graphene substrate for other temperature conditions. The friction force acting on palladium nanoparticles on a…
In the investigations of antiferromagnetic (AF)/ ferromagnetic (FM) bilayer samples, often distinct experimental techniques yield different values for the measured exchange anisotropy field (HE). Using a simple microscopic model for…
In the investigations of antiferromagnetic (AF)/ ferromagnetic (FM) bilayer samples, often distinct experimental techniques yield different values for the measured exchange anisotropy field (HE). We propose that the observed discrepancy may…
Search for ultrathin magnetic film with large perpendicular magnetocrystalline anisotropy (PMA) has been inspired for years by the continuous miniaturization of magnetic units in spintronics devices. The common magnetic materials used in…