Related papers: Kinetics of Joint Ordering and Decomposition in Bi…
We describe implementation and analysis of a first-principles theory, derived in an earlier work, for the leading terms in an expansion of a Gibbs free energy of a multi-component alloy in terms of order parameters that characterize…
The phenomenology of exchange bias effects observed in structurally single-phase alloys and compounds but composed of a variety of coexisting magnetic phases such as ferromagnetic, antiferromagnetic, ferrimagnetic, spin-glass, cluster-glass…
Alloys with a first-order magnetic transition are central to solid-state refrigeration technology, sensors and actuators, or spintronic devices. The discontinuous nature of the transition in these materials is a consequence of the coupling…
We study an alloy system where short-ranged, thermally-driven diffusion competes with externally imposed, finite-ranged, athermal atomic exchanges, as is the case in alloys under irradiation. Using a Cahn-Hilliard-type approach, we show…
Based on density-functional theory we analyze the full phase diagram, the occurrence of long-ranged orientational order, and the structural properties of dipolar fluids. As a model system we consider the Stockmayer fluid that consists of…
We use a phase-field model to study the effect of confinement on dendritic growth, in a pure material solidifying in an undercooled melt, and in the directional solidification of a dilute binary alloy. Specifically, we observe the effect of…
We describe two dimensional models with a metallic Fermi surface which display quantum phase transitions controlled by strongly interacting critical field theories below their upper critical dimension. The primary examples involve…
The kinetics of aggregation in a monolayer of magnetic particles are studied using stochastic dynamics computer simulations. At low densities (<8% coverage) the equilibrium structure is made up of chains and rings; the primary mechanisms by…
We consider the process of precipitation in binary alloys in the presence of mechanical deformation. It is commonly observed that mechanical deformation prior to or during precipitation leads to microstructure with excess defects, which…
The effect of alternating shear orientation during cyclic loading on the relaxation dynamics in disordered solids is examined using molecular dynamics simulations. The model glass was initially prepared by rapid cooling from the liquid…
Short-range ordering (SRO) tendency for disordered alloys is considered as competition between chemical ordering and geometric (mainly, difference in atomic radius for constituents) effects. Especially for multicomponent (including the…
Product formula methods, particularly the second-order Suzuki decomposition, are an important tool for simulating quantum dynamics on quantum computers due to their simplicity and unitarity preservation. While higher-order schemes have been…
Aluminum alloys are increasingly utilized as lightweight materials in the automobile industry due to their superior capability in withstanding high mechanical loads. A significant challenge impeding the large-scale use of these alloys in…
We present simulations on a binary blend of bead-spring polymer chains. The introduction of monomer size disparity yields very different relaxation times for each component of the blend. Competition between two different arrest mechanisms,…
Motivated by the experiments on the organic compound $(Per)_{2}[Pt(mnt)_{2}]$, we study the ground state of the one-dimensional Kondo lattice model at quarter filling with the density matrix renormalization group method. We show a coupled…
We undertake a detailed numerical study of the {\it Active Model B} proposed by Wittkowski et al. [Nature Comm. {\bf 5}, 4351 (2014)]. We find that the introduction of activity has a drastic effect on the ordering kinetics. First, the…
The scaling properties of a phase-ordering system with a conserved order parameter are studied. The theory developed leads to scaling functions satisfying certain general properties including the Tomita sum rule. The theory also gives good…
We study the domain geometry during spinodal decomposition of a 50:50 binary mixture in two dimensions. Extending arguments developed to treat non-conserved coarsening, we obtain approximate analytic results for the distribution of domain…
We consider doping of non-magnetic impurities in the spin-1/2, 1/5-depleted square lattice. This structure, whose undoped phase diagram offers both magnetically ordered and spin-liquid ground states, is realized physically in CaV_4O_9.…
Using Monte Carlo simulations we study the phase ordering dynamics of a \textit{multi}-species system modeled via the prototype $q$-state Potts model. In such a \textit{multi}-species system, we identify a spin states or species as the…