Related papers: Application of Rigorous Interface Boundary Conditi…
We discuss the Lattice Boltzmann-Particle Dynamics (LBPD) multiscale paradigm for the simulation of complex states of flowing matter at the interface between Physics, Chemistry and Biology. In particular, we describe current large-scale…
The accurate simulation of interface-dominated solid mechanics problems on complex microstructures remains challenging, particularly when interface-fitted quadrilateral or hexahedral meshes are difficult to generate. We extend the shifted…
Developing effective descriptions of the microscopic dynamics of many physical phenomena can both dramatically enhance their computational exploration and lead to a more fundamental understanding of the underlying physics. Previously, an…
We present a theoretical study of the interaction of vacancies with a tilt grain boundary in aluminum based on the density functional theory. The grain boundary volume expansion and vacancy induced contraction are calculated and compared…
We investigate a model which couples diffusional melting and nanoscale structural forces via a combined nano-mesoscale description. Specifically, we obtain analytic and numerical solutions for melting processes at grain boundaries…
In this paper we introduce a variational model for the study of multilayer films that allows for the treatment of both coherent and incoherent interfaces between layers. The model is designed in the framework of the theory of Stress Driven…
We consider a diffusion process with coefficients that are periodic outside of an "interface region" of finite thickness. The question investigated in this article is the limiting long time/large scale behavior of such a process under…
We characterize both analytically and numerically short-range forces between spatially diffuse interfaces in multi-phase-field models of polycrystalline materials. During late-stage solidification, crystal-melt interfaces may attract or…
This study delves into the complex mechanisms of defect production and accumulation in nanocrystalline tungsten under irradiation, with a particular focus on the interplay between grain boundaries and free surfaces. Through molecular…
There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries.…
This work outlines a diffuse interface method for the study of fracture and fragmentation in ductile metals at high strain-rates in Eulerian finite volume simulations. The work is based on an existing diffuse interface method capable of…
Interfaces remain one of the major issues in limiting the understanding and designing polymer nanocomposites due to their complexity and pivotal role in determining the ultimate composites properties. In this study, we take multi-walled…
Interface cracking is one of the most prominent failure modes in fibre reinforced polymer (FRP) composites. Recent trends in high-tech applications of FRP composites exploit the limits of the load bearing capacity, generally encompassing…
The boundary conditions at the deformable interface between two contacting fluids are derived for the general case of the large-amplitude perturbations. The interface is modeled as perturbed free boundary that evolves in time, and the…
We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…
We present a mesoscopic model of the fluid-wall interactions for flows in microchannel geometries. We define a suitable implementation of the boundary conditions for a discrete version of the Boltzmann equations describing a wall-bounded…
In recent years, new functionality and unprecedented wavefront control has been enabled by the introduction of bianisotropic metasurfaces. A bianisotropic metasurface is characterized by an electric response, a magnetic response, and an…
Slip transmission across $\alpha-\beta$ interfaces is of great significance in understanding the strength of $\alpha-\beta$ Ti alloys for aerospace applications. Molecular statics (MS) and molecular dynamics (MD) simulations were conducted…
Alloying metals with other elements is often done to improve the material strength or hardness. A key microscopic mechanism is precipitation hardening, where precipitates impede dislocation motion, but the role of such obstacles in…
A new homogenization-free boundary condition is introduced for the design of metasurfaces. The boundary condition, linking the tangential electric field to the induced surface current density within a unit cell, is described as a matrix…