相关论文: Mandelic acid single-crystal growth: Experiments v…
A physically-informed continuum crystal plasticity model is presented to elucidate the deformation mechanisms and dislocation evolution in body-centered-cubic (bcc) tantalum widely used as a key structural material for mechanical and…
Crystallization is a fundamental process in materials science, providing the primary route for the realization of a wide range of new materials. Crystallization rates are also considered to be useful probes of glass-forming ability. At the…
We study an initial value problem for two-dimensional needle crystal growth with anisotropic surface tension. The initial value problem is derived from the so called one-sided model based on complex variables method. We then obtain the…
We test the performance of a recently proposed fundamental measure density functional of aligned hard cylinders by calculating the phase diagram of a monodisperse fluid of these particles. We consider all possible liquid crystalline…
Crystallization and vitrification of tetrahedral liquids are important both from a fundamental and a technological point of view. Here, we study via extensive umbrella sampling Monte Carlo computer simulations the nucleation barriers for a…
In this paper we propose a systematic approach to construct mathematical models describing populations of cancer-cells at different stages of disease development. The methodology we propose is based on stochastic Concurrent Constraint…
Kinetic rate factors of crystallization have a direct effect on formation and growth of an ordered solid phase in supercooled liquids and glasses. Using crystallizing Lennard-Jones liquid as an example, in the present work we perform a…
In this paper, on the basis of the set of simplified model state equations to represent the dynamic features of melt pulling method growth process, we constructed a simulation control system of Matlab Simulink and analyzed control features…
For the first time, the combination of experimental preparation and results of fully atomistic simulations of an oligoelectrolyte multilayer (OEM) made of poly(diallyl dimethyl ammonium chloride)/poly(styrene sulfonate sodium salt)…
We investigate the effect of a strong magnetic field on a three dimensional smectic A liquid crystal. We identify a critical field above which the uniform layered state loses stability; this is associated to the onset of layer undulations.…
We have developed an original setup using microfluidic tools allowing one to produce continuously monodisperse microreactors ($\approx 100$ nL), and to control their temperatures as they flow in the microdevice. With a specific…
A mathematical model for time development of metastases and their distribution in size and carrying capacity is presented. The model is used to theoretically investigate anti-cancer therapies such as surgery and chemical treatments…
We present a mathematical model for solvated crystallization of alpha -lactose monohydrate in semi-batch mode. The process dynamics are governed by conservation laws including population, molar and energy balance equations. We present and…
A nonlinear model due to Soddemann et al. [37] and Stewart [38] describing incompressible smectic-A liquid crystals under flow is studied. In comparison to previously considered models, this particular model takes into account possible…
Gravity-induced buoyancy, inevitable in most solidification processes, substantially alters the dynamics of crystal growth, such that incorporating fluid flow in solidification models is crucial to understand and predict key aspects of…
Nuclear liquid-gas phase transitions are investigated in the framework of static antisymmetrized molecular dynamics (static AMD) model under either a constant volume or a constant pressure. A deuteron quadrupole momentum fluctuation…
Molecular crystals play a central role in a wide range of scientific fields, including pharmaceuticals and organic semiconductor devices. However, they are challenging systems to model accurately with computational approaches because of a…
We present large scale computer simulations of the nonlinear bulk rheology of lamellar phases (smectic liquid crystals) at moderate to large values of the shear rate (Peclet numbers 10-100), in both two and three dimensions. In two…
The steady-state homogeneous vapor-to-liquid nucleation and the succeeding liquid droplet growth process are studied for water system by means of the coarse-grained molecular dynamics simulations with the mW-model suggested originally in…
Multi-color Stochastic Rotation Dynamics (SRDmc) has been introduced by Inoue et al. as a particle based simulation method to study the flow of emulsion droplets in non-wetting microchannels. In this work, we extend the multi-color method…