Related papers: HDR: Interfaces in crystalline materials
Interface by definition is two-dimensional (2-D) as it separates 2 phases with an abrupt change in structure and chemistry across the interface. The interface between a metal and its nitride is expected to be atomically sharp, as chemical…
Motivated by recent experimental work on multicomponent lipid membranes supported by colloidal scaffolds, we report an exhaustive theoretical investigation of the equilibrium configurations of binary mixtures on curved substrates. Starting…
Structural transformations at interfaces are of profound fundamental interest as complex examples of phase transitions in low-dimensional systems. Despite decades of extensive research, no compelling evidence exists for structural…
Differential shrinkage in particulate quasi-brittle materials causes microcracking which reduces durability in these materials by increasing their mass transport properties. A hydro-mechanical three-dimensional periodic network approach was…
Two-dimensional (2D) materials and their heterostructures have been intensively studied in recent years due to their potential applications in electronic, optoelectronic, and spintronic devices. Nonetheless, the realization of 2D…
Decohesion undergoing large displacements takes place in a wide range of applications. In these problems, interface element formulations for large displacements should be used to accurately deal with coupled material and geometrical…
Coarsening kinetics is usually described using a linear gradient approximation for the underlying interface migration (IM) rates, wherein the migration fluxes at the interfaces vary linearly with the driving force. Recent experimental…
This paper reviews the current state-of-the-art in the simulation of the mechanical behavior of polycrystalline materials by means of computational homogenization. The key ingredients of this modelling strategy are presented in detail…
Heterostructured (HS) materials exhibit excellent mechanical properties, combining high strength and significant ductility. Hetero-deformation-induced (HDI) hardening and strain de-localization are key to their strength-ductility synergy.…
Recent experimental developments showed that the use of the radiation pressure, induced by a continuous laser wave, to control fluid-fluid interface deformations at the microscale, represents a very promising alternative to electric or…
The misfit oxide, Bi$_{2}$Ba$_{1.3}$K$_{0.6}$Co$_{2.1}$O$_{y}$, made of alternating rocksalt-structured [BiO/BaO] layers and hexagonal CoO$_{2}$ layers, was studied by angle-resolved photoemission spectroscopy. Detailed electronic structure…
Interfacial thermal transport is a critical bottleneck in nanoscale systems, where heat dissipation and energy efficiency are strongly modulated by molecular ordering at solid-liquid boundaries. Here, using atomistic simulations of…
Liquid crystal elastomers and glasses can have significant shape change determined by their director patterns. Cones deformed from circular director patterns have non-trivial Gaussian curvature localised at tips, curved interfaces, and…
We derive effective equations of motion governing the dynamics of sharp interfaces in phase-separated binary mixtures driven by spatio-temporal modulations of their material properties. We demonstrate, in particular, that spatial…
We review theoretical and simulational approaches to the description of equilibrium bulk crystal and interface properties as well as to the nonequilibrium processes of homogeneous and heterogeneous crystal nucleation for the simple model…
The problem of a crack impinging on an interface has been thoroughly investigated in the last three decades due to its important role in the mechanics and physics of solids. In this investigation, this problem is revisited in view of the…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
Durable interfacing of hard and soft materials is a major design challenge caused by the ensuing stress concentrations. In nature, soft-hard interfaces exhibit remarkable mechanical performance, with failures rarely happening at the…
The effective macroscopic response of nonlinear elastomeric inhomogeneous materials is of great interest in many applications including nonlinear composite materials and soft biological tissues. The interest of the present work is…
Enabling a hydrogen economy requires the development of materials resistant to hydrogen embrittlement (HE). More than 100 years of research have led to several mechanisms and models describing how hydrogen interacts with lattice defects and…