Nonequilibrium molecular dynamics simulation of rapid directional solidification

نویسندگان
چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Nonequilibrium molecular dynamics simulation of rapid directional solidification

We present the results of non-equilibrium molecular dynamics simulations for the growth of a solid binary alloy from its liquid phase. The regime of high pulling velocities, V , for which there is a progressive transition from solute segregation to solute trapping, is considered. In the segregation regime, we recover the exponential form of the concentration profile within the liquid phase. Sol...

متن کامل

Investigation of Melting by Molecular Dynamics Simulation

The melting of a 64 ion microcrystal of KCI was studied by means of a molecular dynamics computer simulation. We used a central pair interaction with an inverse power law repulsion. The thermodynamics, kinetic and structural properties such as melting temperature, latent heat, mean square displacement, diffusion constant, radial distribution function and bond angle distribution are calculated. ...

متن کامل

Nanoscopic spontaneous motion of liquid trains: Nonequilibrium molecular dynamics simulation.

Macroscale experiments show that a train of two immiscible liquid drops, a bislug, can spontaneously move in a capillary tube because of surface tension asymmetries. We use molecular dynamics simulation of Lennard-Jones fluids to demonstrate this phenomenon for NVT ensembles in submicron tubes. We deliberately tune the strength of intermolecular forces and control the velocity of bislug in diff...

متن کامل

Constant-pH Hybrid Nonequilibrium Molecular Dynamics–Monte Carlo Simulation Method

A computational method is developed to carry out explicit solvent simulations of complex molecular systems under conditions of constant pH. In constant-pH simulations, preidentified ionizable sites are allowed to spontaneously protonate and deprotonate as a function of time in response to the environment and the imposed pH. The method, based on a hybrid scheme originally proposed by H. A. Stern...

متن کامل

Dynamics of low anisotropy morphologies in directional solidification.

We report experimental results on quasi-two-dimensional diffusion limited growth in directionally solidified succinonitrile with small amounts of poly(ethylene oxide), acetone, or camphor as a solute. Seaweed growth, or dense branching morphology, is selected by growing grains close to the [111] plane, where the in-plane surface tension is nearly isotropic. The observed growth morphologies are ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Physical Review B

سال: 2000

ISSN: 0163-1829,1095-3795

DOI: 10.1103/physrevb.62.14006