Related papers: A multi-component phase-field model for T1 precipi…
Grain boundary migration is driven by the boundary's curvature and external loads such as temperature and stress. In intercalation electrodes an additional driving force results from Li-diffusion. That is, Li-intercalation induces volume…
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this purpose, a model potential from the…
The effect of nonequilibrium solute trapping by a growing solid under rapid solidification conditions is studied using a phase-field model. Considering a continuous steady-state concentration profile across the diffuse solid-liquid…
In this paper, two approaches for modeling three-component fluid flows using diffusive interface method are discussed. Thermodynamic consistency of the proposed models is preserved when using an energetic variational framework to derive the…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
We calculate the ion and composition distributions around colloid particles in an aqueous mixture, accounting for preferential adsorption, electrostatic interaction, selective solvation among ions and polar molecules, and…
We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…
This study aimed to explore and develop a new material with high cost-effectiveness, excellent strength, light weight, high hardness, great wear resistance, corrosion resistance, and favorable oxidation resistance. Structural analysis…
We have parameterized a reactive force field (ReaxFF) for lithium aluminum silicates using density functional theory (DFT) calculations of structural properties of a number of bulk phase oxides, silicates, and aluminates, as well as of…
The formation and field-induced switching of defect dipoles in acceptor doped lead titanate is described by a kinetic model representing an extension of the well established Arlt-Neumann model [Ferroelectrics {\bf 76}, 303 (1987)]. Energy…
We introduce ultrafast low-energy electron diffraction (ULEED) in backscattering for the study of structural dynamics at surfaces. Using a tip-based source of ultrashort electron pulses, we investigate the optically-driven transition…
The earlier-developed master equation approach and kinetic cluster methods are applied to study kinetics of L1_0 type orderings in alloys, including the formation of twinned structures characteristic of cubic-tetragonal-type phase…
The out-of-equilibrium heterogeneous microstructure typical of AlSi10Mg processed by Laser Powder Bed Fusion (LPBF) is often modified by further heat treatment to improve its ductility. According to literature, extensive experimental…
The interaction between dislocations and precipitates plays an important role in the mechanical behavior of alloys. To provide more insight into the physics of this interaction, this research analyzes short-range interactions of an edge…
Differential thermal analysis has been conducted for the Al-Cu-Co alloys with the composition range of 15 at.% Co and 10 to 30 at.% Cu, and 25 at.% Co and 2.5 to 20 at.% Co. The features of the formation of solid phases have been studied…
Mixed-phase clouds, composed of supercooled liquid droplets and ice crystals, play a critical role in weather and climate systems. Their complex microphysical interactions and coupling with turbulence at microscales govern the cloud…
T1 transitions, which are localised cell rearrangements, play an important role in the fluidization of epithelial monolayers. Using a multi-phase field model and an active elastic solid model, we show that although each cell undergoes T1…
We develop a phase-field model for evaporation from a porous medium by explicitly considering a vapor component together with the liquid and gas phases in the system. The phase-field model consists of the conservation of mass (for phases…
By adjusting the interface energy, curvature, and velocity, the anisotropy plays an important role in the interaction between interfacial processes and transport processes, determining the solidification structures. In this paper, through…
Silica nanoparticles trapped at air-water interface form a 2D solid state with amorphous order. We propose a theoretical model to describe how this solid-like state deforms under a shear strain ramp up to and beyond a yielding point which…