相关论文: Kinetics of Ordering in Cu3Au: An Atomistic Approa…
We study the early-stages of ordering in $Cu_3 Au$ using a model Hamiltonian derived from the effective medium theory of cohesion in metals: an approach providing a microscopic description of interatomic interactions in alloys. Our…
This paper presents a theoretical model for studying the dynamics of ordering in alloys which exhibit modulated phases. The model is different from the standard time-dependent Ginzburg-Landau description of the evolution of a non-conserved…
A Monte Carlo study of the late time growth of $L1_2$ ordered domains on a fcc $A_3B$ binary alloy is presented. The energy of the alloy has been modeled by a nearest neighbor interaction Ising hamiltonian. The system exhibits a fourfold…
A continuum model derived from an atomistic Hamiltonian is used to examine the ordering kinetics in CuAu. A detailed description of the formation of the low and high temperature ordered and modulated superlattice states is given. The…
Roughness and orientational order in thin films of anisotropic particles are investigated using kinetic Monte Carlo simulations on a cubic lattice. Anisotropic next-neighbor interactions between the lattice particles were chosen to mimic…
The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…
Ordering processes in fcc-alloys with composition A_3B (like Cu_3Au, Cu_3Pd, CoPt_3 etc.) are investigated by Monte Carlo simulation within a class of lattice models based on nearest-neighbor (NN) and second-neighbor (NNN) interactions.…
The correlation between local chemical environment and atomic displacements in disordered CuAu alloy has been studied using Monte Carlo simulations based on the effective medium theory (EMT) of metallic cohesion. These simulations correctly…
Magnetic anisotropy in atomically thin correlated heterostructures is essential for exploring quantum magnetic phases for next-generation spintronics. Whereas previous studies have mostly focused on van der Waals systems, here, we…
Kinetic Monte Carlo simulations are performed to study the influence of external magnetic fields on the growth of magnetic fcc binary alloy nanoclusters with perpendicular magnetic anisotropy. The underlying kinetic model is designed to…
We study the ordered moment direction in the extended Kitaev-Heisenberg model relevant to honeycomb lattice magnets with strong spin-orbit coupling. We utilize numerical diagonalization and analyze the exact cluster groundstates using a…
The technological performances of metallic compounds are largely influenced by atomic ordering. Although there is a general consensus that successful theories of metallic systems should account for the quantum nature of the electronic glue,…
We study the standard three-dimensional driven diffusive system on a simple cubic lattice where particle jumps along a given lattice direction are biased by an infinitely strong field, while those along other directions follow the usual…
We compute nonequilibrium dynamics of plasma instabilities in classical-statistical lattice gauge theory in 3+1 dimensions. The simulations are done for the first time for the SU(3) gauge group relevant for quantum chromodynamics. We find a…
Results for the late-time regime of phase ordering in three dimensions are reported, based on numerical integration of the time-dependent Ginzburg-Landau equation with nonconserved order parameter at zero temperature. For very large systems…
The self-assembly of anisotropic building blocks into complex spatial architectures is an important design strategy in material science but the mechanisms by which the anisotropic interactions influence the early-stage growth and formation…
In many growth processes particles are highly mobile in an active layer at the surface, but are relatively immobile once incorporated in the bulk. We study models in which atoms are allowed to interact, equilibrate, and order on the…
A detailed numerical and experimental study of the ordering of the low temperature tetragonal phase of CuAu is presented. The numerical simulations are based on a coarse-grained free energy derived from electronic structure calculations of…
We present a stochastic simulation method designed to study at an atomic resolution the growth kinetics of compounds characterized by the sp3-type bonding symmetry. Formalization and implementation details are discussed for the particular…
Inspired by the chemical etching processes, where experiments show that growth rates depending on the local environment might play a fundamental role in determining the properties of the etched surfaces, we study here a model for kinetic…