相关论文: Percolation model for structural phase transitions…
The fractal structure and scaling properties of a 2d slice of the 3d Ising model is studied using Monte Carlo techniques. The percolation transition of geometric spin (GS) clusters is found to occur at the Curie point, reflecting the…
Purely entropic systems such as suspensions of hard rods, platelets and spheres show rich phase behavior. Rods and platelets have successfully been used as models to predict the equilibrium properties of liquid crystals for several decades.…
The crystalline ground state of macroions confined between two neutral parallel plates in the presence of their homogeneously spread counterions is calculated by lattice-sum minimization of candidate phases involving up to six layers. For…
We give a geometrically exact treatment of percolation through voids around assemblies of randomly placed impermeable barrier particles, introducing a computationally inexpensive approach to finding critical barrier density thresholds…
We give a physical description in terms of percolation theory of the phase transition that occurs when the disorder increases in the random antiferromagnetic spin-1 chain between a gapless phase with topological order and a random singlet…
Starting from the recognition that hadrons are not produced smoothly at phase transition, the fluctuation of spatial patterns is investigated by finding a measure of the voids that exhibits scaling behavior. The Ising model is used to…
We demonstrate that the phase transition from columnar-hexagonal liquid crystal to hexagonal-crystalline solid falls into an unusual universality class, which in three-dimensional allows for both discontinuous transitions as well as…
The relationship between charge and structure dictates the properties of electrochemical systems. For example, reversible Na-ion intercalation - a low-cost alternative to Li-ion technology - often induces detrimental structural phase…
Microscopic pathways of structural phase transitions are difficult to probe because they occur over multiple, disparate time and length scales. Using $in$ $situ$ nanoscale cathodoluminescence microscopy, we visualize the thermally-driven…
We report a simple technique for the synthesis of uniaxially textured, metastable hexagonal close-packed-like uranium thin films with thicknesses between 175-2800 \r{A}. The initial structure and texture of the layers have been studied via…
The evolution of the atomic structures of the combinatorial library of Sm-substituted thin film BiFeO3 along the phase transition boundary from the ferroelectric rhombohedral phase to the non-ferroelectric orthorhombic phase is explored…
We introduce a simple and efficient model to describe the potential energy surface of lithium diffusing in a solid-state ionic conductor. First, we assume that the Li atoms are fully ionized and we neglect the weak dependence of the…
Metallic oxides encased within Metal-Insulator-Metal (MIM) structures can demonstrate both unipolar and bipolar switching mechanisms, rendering them the capability to exhibit a multitude of resistive states and ultimately function as memory…
Many intercalation compounds possess layered structures or inter-penetrating lattices that enable phase separation into three or more stable phases, or "stages," driven by competing intra-layer and inter-layer forces. While these structures…
Crystallization of supersaturated liquids usually starts by heterogeneous nucleation. Mounting evidence shows that even homogeneous nucleation in simple liquids takes place in two steps; first a dense amorphous precursor forms, and the…
The present work introduces an efficient Monte Carlo algorithm for continuum percolation composed of randomly-oriented rectangles. By conducting extensive simulations, we report high precision percolation thresholds for a variety of…
A lamellar lepidocrocite-type titanate structure with ~25% $\text{Ti}^{4+}$vacancies was recently synthesized, and it showed potential for use as an electrode in rechargeable lithium-ion batteries. In addition to lithium, we explore this…
We present a high accuracy Monte Carlo simulation study of the Isotropic - Nematic phase transition of a lattice dispersion model of biaxial liquid crystals. The NI coexistence curve terminating at the Landau critical point have been…
Molecular dynamics simulations are a powerful tool to study diffusion processes in battery electrolyte and electrode materials. From a single molecular dynamics simulation many properties relevant to diffusion can be obtained, including the…
Liquid-liquid phase separation has emerged as one of the important paradigms in the chemical physics as well as biophysics of charged macromolecular systems. We elucidate an equilibrium phase separation mechanism based on charge regulation,…