Related papers: Wetting Properties of Grain Boundaries in Solid He…
In order to control the grain structure of multi-crystalline (mc) silicon during directional solidification, the development process of grain boundaries (GBs) with respect to the temperature gradient should be understood. A phase-field…
We investigate the constraints on the superfluid fraction of an amorphous solid following from an upper bound derived by Leggett. In order to accomplish this, we use as input density profiles generated for amorphous solids in a variety of…
By using the diffusion Monte Carlo method, we obtained the full phase diagram of $^3$He on top of graphite preplated with a solid layer of $^4$He. All the $^4$He atoms of the substrate were explicitly considered and allowed to move during…
The complex arrangements of atoms near grain boundaries are difficult to understand theoretically. We propose a phenomenological (Ginzburg-Landau-like) description of crystalline phases based on symmetries and fairly general stability…
We consider the phase equilibria of a fluid confined in a deep capillary groove of width $L$ with identical side walls and a bottom made of a different material. All walls are completely wet by the liquid. Using density functional theory…
We present calculations of diffusion coefficients in grain boundaries in Yukawa crystals for astrophysics. Our methods follow from our recent work calculating diffusion coefficients in perfect body-centered cubic crystals. These diffusion…
The bound state of a He-3 atom at the interface between coexisting crystalline and superfluid phases of He-4 is studied theoretically by means of first principle Quantum Monte Carlo simulations. We consider both the case of a…
A discrete model and the regular solution approximation are applied to describe the effect of grain boundary motion on grain boundary phase transformations in a binary alloy. The model predicts all thermodynamic properties of the grain…
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.…
Four results associated with the diffuse-interface model (DIM) for contact lines are reported in this paper. First, a boundary condition is derived, which states that the fluid near a solid wall must have a certain density $\rho_{0}$…
We report new measurements in four cells of the thermal boundary resistance $R$ between copper and $^4$He below but near the superfluid-transition temperature $T_\lambda$. For $10^{-7} \leq t \equiv 1 - T/T_\lambda \leq 10^{-4}$ fits of $R…
Porous materials made up of impermeable polyhedral grains constrain fluid flow to voids around the impenetrable constituent barrier particles. A percolation transition marks the boundary between assemblies of grains which contain system…
We consider a two-dimensional model of a porous medium where circular grains are uniformly distributed in a squared container. We assume that such medium is partially filled with water and that the stationary interface separating the water…
The properties of polycrystalline materials are often dominated by the size of their grains and by the atomic structure of their grain boundaries. These effects should be especially pronounced in 2D materials, where even a line defect can…
We have investigated by means of first principles calculations the structural and electronic properties of hydrogenated graphene structures with distinct grain boundary defects. Our total energy results reveal that the adsorption of a…
Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $\rho_{c1}$ or networks of…
We investigate analytically and numerically the interaction between grain boundaries and second phase precipitates in two-phase coherent solids in the presence of misfit strain. Our numerical study uses amplitude equations that describe the…
We studied several wetting boundary conditions (WBCs) in the simulation of binary fluids based on phase-field theory. Five WBCs, three belonging to the surface energy (SE) formulation using the linear, cubic and sine functions (denoted as…
Grain boundaries have extensive influence on the performance of crystal materials. However, the atomic-scale structure and its relation with local and crystallographic symmetries remain elusive in low-symmetry crystals. Herein, we find that…
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the \gamma-surface method as a union of two perfect half…