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SrAl2Si2 crystallizes into either a semimetallic, CaAl2Si2-type, \alpha phase or a superconducting, BaZn2P2-type, \beta phase. We explore possible \alpha --Pc;Tc--> \beta transformations by employing pressure- and temperature-dependent…
The effect of edge on wetting and layering transitions of a three-dimensional spin-1/2 Ising model is investigated, in the presence of longitudinal and surface magnetic fields, using mean field (MF) theory and Monte Carlo (MC) simulations.…
In this study, the Landau--Zener (LZ) transition method is applied to investigate a weak non-adiabatic effect on the Zak phase and the topological charge pumping in the Rice--Mele model. The non-adiabatic effect is formulated using the LZ…
In this work, we benchmark the well-controlled and numerically accurate exponential thermal tensor renormalization group (XTRG) in the simulation of interacting spin models in two dimensions. Finite temperature introduces a thermal…
The formation of an adatom adsorption structure in dynamic force microscopy experiment is shown as a result of the spontaneous appearance of shear strain caused by external supercritical heating. This transition is described by the…
We study the vicinal surface with adsorption below the roughening temperature, using the restricted solid-on-solid model coupled with the Ising model. We calculate the step tension $\gamma$ and the step-interaction coefficient $B$ by…
Surfaces sputtered by ion beam bombardment have been known to exhibit patterns whose behavior is modeled with stochastic partial differential equations. A widely accepted model is the Cuerno-Barabasi model which is robust in its predictions…
Reactive pathways to nucleation in a three-dimensional Ising model at 60% of the critical temperature are studied using transition path sampling of single spin flip Monte Carlo dynamics. Analysis of the transition state ensemble (TSE)…
We use numerical simulations to study the shear-driven steady-state flow of athermal, frictionless, overdamped, two dimensional cross-shaped particles of varying aspect ratios, and make comparison with the behavior of rod-shaped and…
The onset and characteristics of Micro-Tearing Modes (MTM) in the core of spherical (NSTX) and conventional tokamaks (ASDEX-UG and JET) are studied through local linear gyrokinetic simulations with gyro [J. Candy and E. Belli, General…
We present fully analytical solutions for the deformation of a stretched soft substrate due to the static wetting of a large liquid droplet, and compare our solutions to recently published experiments (Xu et al, Soft Matter 2018). Following…
Our recent modelling works and corresponding numerical simulations realized to describe the UO2 oxidation processes confirm the theory showing that an applied mechanical strain can strongly affect the local oxygen diffusion in a stressed…
We investigate the spectral properties of the Su-Schrieffer-Heeger (SSH) model with sublattice-dependent onsite nonlinearity. Two complementary approaches are employed in our studies. First, Bloch state solutions under periodic boundary…
Engineering liquid metal alloys offers a transformative pathway for plasma-facing components (PFC) by enabling chemically tailored surfaces that can simultaneously optimize plasma-material interactions, reduce divertor heat flux, and…
Shape Memory Alloys (SMAs) are a unique class of intermetallic alloys that can cyclically sustain large deformations and recover a designed geometry through a solid-to-solid phase transformation. SMAs provide favorable actuation energy…
Critical properties of frictionless spherical particles below jamming are studied using extensive numerical simulations, paying particular attention to the non-affine part of the displacements during the athermal quasi-static compression.…
We present a phase-field model for simulating the solid-state dewetting of anisotropic crystalline films on non-planar substrates. This model exploits two order parameters to trace implicitly the crystal free surface and the substrate…
Spontaneous symmetry breaking (SSB) is a property of Hamiltonian equilibrium states which, in the thermodynamic limit, retain a finite average value of an order parameter even after a field coupled to it is adiabatically turned off. In the…
We report on a numerical study of the shear flow of a simple two-dimensional model of a granular material under controlled normal stress between two parallel smooth, frictional walls, moving with opposite velocities $\pm$V . Discrete…
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. However, a step on the surface can act effectively as a source…