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Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…
This article analyzes modulated phases in liquid crystals, from the long-established cholesteric and blue phases to the recently discovered twist-bend, splay-bend, and splay nematic phases, as well as the twist-grain-boundary (TGB) and…
A discrete-to-continuum analysis for free-boundary problems related to crystalline films deposited on substrates is performed by $\Gamma$-convergence. The discrete model here introduced is characterized by an energy with two contributions,…
We use the phase-field-crystal (PFC) method to investigate the equilibrium premelting and nonequilibrium shearing behaviors of $[001]$ symmetric tilt grain boundaries (GBs) at high homologous temperature over the complete range of…
Periodic wrinkling of a rigid capping layer on a deformable substrate provides a useful method for templating surface topography for a variety of novel applications. Many experiments have studied wrinkle formation during the compression of…
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…
We use atomistic simulations to investigate grain boundary (GB) phase transitions in el- emental body-centered cubic (bcc) metal tungsten. Motivated by recent modeling study of grain boundary phase transitions in [100] symmetric tilt…
Diffusionless phase transitions are at the core of the multifunctionality of (magnetic) shape memory alloys, ferroelectrics and multiferroics. Giant strain effects under external fields are obtained in low symmetric modulated martensitic…
A tribological system consisting of two contacting blocks has been considered. One of them is arranged between two springs, the other is driven periodically. The kinetics of the system has been studied in the boundary friction mode, when an…
Recrystallization is a phenomenon in which a plastically deformed polycrystalline microstructure with a high dislocation density transforms into another that has low dislocation density. This evolution is driven by the stored energy in…
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…
Mg grain boundary (GB) segregation and GB diffusion can impact the processing and properties of Al-Mg alloys. Yet, Mg GB diffusion in Al has not been measured experimentally or predicted by simulations. We apply atomistic computer…
The low-frequency modal and non-modal stability characteristics of an incompressible, pressure-gradient-induced turbulent separation bubble (TSB) are investigated with the objective of studying the mechanism responsible for the…
The deformation and crack initiation mechanisms were analyzed in a textured AZ31B-O Mg alloy subjected to fully-reversed, strain-controlled cyclic deformation along the rolling direction after 50 cycles (approximately 33% of the fatigue…
The flow of granular material in a rotating cylinder was simulated by molecular dynamics in two dimensions using spherical as well as nonspherical grains. At very low but constant angular velocity we found that the flow varies irregularly…
Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…
Previous studies demonstrate that grain-boundary sliding could accelerate creep rate and give rise to large internal stresses that can lead to damage development, e.g. formation of wedge cracks. The present study provides more insight into…
We study the structure of very thin liquid crystal films frustrated by antagonistic anchorings in the smectic phase. In a cylindrical geometry, the structure is dominated by the defects for film thicknesses smaller than 150 nm and the…
Dislocation and grain boundary melting are studied in three dimensions using the Phase Field Crystal method. Isolated dislocations are found to melt radially outward from their core, as the localized excess elastic energy drives a power law…
A synergetic model describing the state of an ultrathin lubricant layer squeezed between two atomically smooth solid surfaces operating in the boundary friction mode has been developed further. To explain the presence of different operation…