相关论文: Melt-growth dynamics in CdTe crystals

We present results on the growth of CdTe-HgTe core-shell nanowires, a realization of a quasi one-dimensional heterostructure of the topological insulator HgTe. The growth is a two step process consisting of the growth of single crystalline…

We use a combined phase-field/lattice-Boltzmann scheme [D. Medvedev, K. Kassner, Phys. Rev. E {\bf 72}, 056703 (2005)] to simulate non-facetted crystal growth from an undercooled melt in external flows. Selected growth parameters are…

We investigate the dynamical instability of Bose-Einstein condensates (BECs) with higher-order interactions immersed in an optical lattice with weak driving harmonic potential. For this, we compute both analytically and numerically a…

We present an accurate machine learning (ML) model for atomistic simulations of carbon, constructed using the Gaussian approximation potential (GAP) methodology. The potential, named GAP-20, describes the properties of the bulk crystalline…

Using a molecular dynamics computer simulation we determine the temperature dependence of the partial structure factors for a binary Lennard-Jones system. These structure factors are used as input data to solve numerically the wave-vector…

We consider vortex dynamics in the context of Bose-Einstein Condensates (BEC) with a rotating trap, with or without anisotropy. Starting with the Gross-Pitaevskii (GP) partial differential equation (PDE), we derive a novel reduced system of…

Soft particles are known to overlap and form stable clusters that self-assemble into periodic crystalline phases with density-independent lattice constants. We use molecular dynamics simulations in two dimensions to demonstrate that,…

The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…

We introduce a computational method to discover polymorphs in molecular crystals at finite temperature. The method is based on reproducing the crystallization process starting from the liquid and letting the system discover the relevant…

We devise a new 1D atomistic scale model of vicinal growth based on Cellular Automaton. In it the step motion is realized by executing the automaton rule prescribing how adatoms incorporate into the vicinal crystal. Time increases after…

OCTBEC is a Matlab toolbox designed for optimal quantum control, within the framework of optimal control theory (OCT), of Bose-Einstein condensates (BEC). The systems we have in mind are ultracold atoms in confined geometries, where the…

A fundamental objective of materials modeling is identifying atomic structures that align with experimental observables. Conventional approaches for disordered materials involve sampling from thermodynamic ensembles and hoping for an…

Repulsively bound pairs of particles in a lattice governed by the Bose-Hubbard model can form stable incompressible clusters of dimers corresponding to finite-size n=2 Mott insulators. Here we study the dynamics of hole defects in such…

Extending the recently-developed bond-order-length-strength (BOLS) correlation mechanism [Sun CQ, Prog Solid State Chem 2007, 35, 1-159] to the pressure domain has led to atomistic insight into the phase stability of nanostructures under…

We present a new deep learning-based machine learning potential (MLP) for molecular dynamics simulations of solid carbon monoxide (CO), capable of accurately describing CO vibrations both in the fundamental state and in highly excited…

Dielectrophoresis (DEP), the motion of polarizable particles in non-uniform electric fields, has become an important tool for the transport, separation, and characterization of microparticles in biomedical and nanoelectronics research. In…

The preparation method of thermoelectric PbTe-CdTe semiconductor nanocomposite in the form of a bulk material doped with Bi, I or Na, intended for production the mid-temperature thermoelectric energy generators is presented. The method…

Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundamental knowledge gaps in relating the influence of…

Colonies of rod-shaped bacteria constitute a system of colloidal active matter with nematic properties. As a single initial bacterium multiplies through repeated divisions, the resulting colony quickly loses long-range orientational order,…

In correlated electrons system, quantum melting of electronic crystalline phase often gives rise to many novel electronic phases. In cuprates superconductors, melting the Mott insulating phase with carrier doping leads to a quantum version…