Related papers: Multiscale Modeling of Peritectic Reaction Growth
One-dimensional organo-metal halide Perovskite (CH3NH3PbI3) nanorods whose diameter and length are dictated by the inner size of porous silicon nanotube templates have been grown, characterized and compared to bulk perovskites in the form…
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…
Developing high fidelity quantitative models of solid state reaction systems can be challenging, especially in deposition systems where, in addition to the multiple competing processes occurring simultaneously, the solid interacts with its…
Lead halide perovskite materials have been emerging as promising candidates for high-performance optoelectronic devices. Significant efforts have sought to realize monocrystalline perovskite films at a large scale. Here, we epitaxially grow…
We study a simple growth model for (d+1)-dimensional films of binary alloys in which atoms are allowed to interact and equilibrate at the surface, but are frozen in the bulk. The resulting crystal is highly anisotropic: Correlations…
Using quasi-simultaneous synchrotron X-ray diffraction and tomography techniques, we have studied in-situ and in real-time the nucleation and co-growth dynamics of the peritectic structures in an Al-Mn alloy during solidification. We…
A simple empirical relation has been found to exist between optimum Tc and the formal mean cation charge <qc> of perovskite-related superconductors, covering both conventional superconductors and superconducting cuprates. Tc is shown to…
Two-dimensional (2D) halide perovskites (HPs) are promising materials for various optoelectronic applications, yet a comprehensive understanding of their dynamics is still elusive. Here, we offer insight into the dynamics of prototypical 2D…
The Ultra-relativistic Quantum-Molecular-Dynamics model (UrQMD) is used to study central Pb+Pb reactions at RHIC ($\sqrt{s}=200$ AGeV). The computed collision spectrum reveals that the major part (approx. 80%) of the dynamics is governed by…
The incommensurate magnetic response of the normal-state cuprate perovskites is interpreted based on Mori's memory function approach and the t-J model of Cu-O planes. In agreement with experiment the calculated dispersion of the…
Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…
Ferroelectric and multiferroic materials form an important class of functional materials. Over the last twenty years, first-principles-based effective Hamiltonian approaches have been successfully developed to simulate these materials. In…
The stochastic Eden model of charged particles aggregation in two-dimensional systems is presented. This model is governed by two parameters: screening length of electrostatic interaction, $\lambda $, and short range attraction energy, $E$.…
Films of Bi$\rm _2$Sr$\rm _2$CaCu$\rm _2$O$\rm _8$ and Bi$\rm _2$Sr$\rm _2$CuO$\rm _6$ have been grown using Atomic-Layer-by-Layer Molecular Beam Epitaxy (ALL-MBE) on lattice-matched substrates. These materials have been combined with…
The ability to control the structure of a crystalline solid on ultrafast timescales bears enormous potential for information storage and manipulation or generating new functional states of matter [1]. In many materials where the ultrafast…
We study the emergence of the collective spatio-temporal macroscopic properties of the immune system, by representing individually the elementary interactions between its microscopic components (antibodies, antigens, cytokines). The results…
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…
We simulate the bond and site percolation models on several three-dimensional lattices, including the diamond, body-centered cubic, and face-centered cubic lattices. As on the simple-cubic lattice [Phys. Rev. E, \textbf{87} 052107 (2013)],…
A hybrid mesoscopic multi-particle collision model is used to study diffusion-influenced reaction kinetics. The mesoscopic particle dynamics conserves mass, momentum and energy so that hydrodynamic effects are fully taken into account.…
We analyze response of a macromolecule near to a substrate; the substrate is tiled in the sequential and specific manner so that repeat units of the macromolecule may have different response on its adsorption in different directions onto…