Related papers: Computer simulation control of single crystal grow…
In contrast to most self-assembling synthetic materials, which undergo unbounded growth, many biological self-assembly processes are self-limited. That is, the assembled structures have one or more finite dimensions that are much larger…
We investigate analytically and computationally the dynamics of 2D needle crystal growth from the melt in a narrow channel. Our analytical theory predicts that, in the low supersaturation limit, the growth velocity $V$ decreases in time $t$…
Computer simulations of liquid phases require an initial configuration from which to begin. The preparation of such an initial configuration or `snapshot' often involves the melting of a solid phase. This melting is usually undertaken by…
Monolayer cluster growth in far-from-equilibrium systems is investigated by applying simulation and analytic techniques to minimal hard core particle (exclusion) models. The first model (I), for post-deposition coarsening dynamics, contains…
We model shell formation of core-shell noble metal nanoparticles. A recently developed kinetic Monte Carlo approach is utilized to reproduce growth morphologies realized in recent experiments on core-shell nanoparticle synthesis, which…
We combine machine learning (ML) with Monte Carlo (MC) simulations to study the crystal nucleation process. Using ML, we evaluate the canonical partition function of the system over the range of densities and temperatures spanned during…
The crystallization proceeds by the advance of the crystal faces into the disordered phase at the expense of the supersaturation which is not sustained in our model. Using a conservation constraint for the transformation ratio and a kinetic…
The self-organized Monte Carlo simulations of 2D Ising ferromagnet on the square lattice are performed. The essence of devised simulation method is the artificial dynamics consisting of the single-spin-flip algorithm of Metropolis…
We present an optimized seeded chemical vapor transport method for the growth of Cu$_{2}$OSeO$_{3}$ that allows for chemical control in a system with many stable phases to selectively produce large phase pure single crystals. This method is…
The premelting plays an important role in ice growth, but there is a significant gap in our knowledge between the atomistic premelting surface structure and the macroscopic growth mechanism. In this work, using large-scale molecular…
The simulation of rare events is one of the key problems in atomistic simulations. Towards its solution a plethora of methods have been proposed. Here we combine two such methods metadynamics and inte-grated tempering sampling. In…
Molecular dynamics simulation is employed to understand the thermodynamic behavior of cuboctahedron (cub) and icosahedron (ico) nanoparticles with 2-20 number of full shells. The original embedded atom method (EAM) was compared to the more…
Single crystals of the three-dimensional frustrated magnet and spin liquid candidate compound PbCuTe$_2$O$_6$ were grown using both the Travelling Solvent Floating Zone (TSFZ) and the Top-Seeded Solution Growth (TSSG) techniques. The growth…
SmCrO$_3$ single crystals were successfully grown utilizing the high-pressure optical floating-zone method and their crystal structure, magnetization behavior, and magnetic phase diagrams were thoroughly investigated. Magnetic studies were…
This work reports on a novel and simple synthetic route for the growth of metal-organic crystal [Cu(C2O4)(4-aminopyridine)2(H2O)]n of large size using the technique of liquid-liquid diffusion or layer diffusion. Single crystal X-ray…
Two-dimensional melting transitions for model colloids in presence of a one-dimensional external periodic potential are investigated using Monte Carlo simulation and Finite Size Scaling techniques. Here we explore a hard disk system with…
The fluid phase diagram of trimer particles composed of one central attractive bead and two repulsive beads was determined as a function of simple geometric parameters using flat-histogram Monte Carlo methods. A variety of self-assembled…
Single crystals of MgB2 and Mg(B1-xCx)2 have been grown using cubic anvil technique. Tc values vary in a wide range (39-9 K) with carbon content varying from 0 up to 16%. Using SiC as the precursor leads to C and not to Si substituted…
The kinetics and microstructure of solid-phase crystallization under continuous heating conditions and random distribution of nuclei are analyzed. An Arrhenius temperature dependence is assumed for both nucleation and growth rates. Under…
The growth of snow crystals is dependent on the temperature and saturation of the environment. In the case of dendrites, Reiter's local two-dimensional model provides a realistic approach to the study of dendrite growth. In this paper we…