Wołoszczuk S, Lipowski A
Institute of Physics, A. Mickiewicz University, ul. Umultowska 85, 61-614 Poznań, Poland.
Phys Rev E Stat Nonlin Soft Matter Phys. 2010 Jun;81(6 Pt 1):061132. doi: 10.1103/PhysRevE.81.061132. Epub 2010 Jun 24.
While uniform temperature has no effect on equilibrium properties of hard-core systems, its gradient might substantially change their behavior. In particular, in hard-disk system subject to temperature difference ΔT disks are repelled from the hot boundary of the system and accumulate at the cold one. Using event-driven molecular dynamics simulations we show that for sufficiently large ΔT or coverage ratio ρ∗, crystal forms at the cold boundary. In this spatially inhomogeneous system a significant decrease of diffusivity of disks clearly marks the stationary interface between liquid and crystal. Such a behavior is also supported through calculation of the radial distribution function and the bond order parameter. Simulations show that for this nonequilibrium system the equipartition of energy holds and velocity obeys the Boltzmann distribution.
虽然均匀温度对硬核系统的平衡性质没有影响,但其梯度可能会显著改变它们的行为。特别是,在存在温差ΔT的硬盘系统中,圆盘会从系统的热边界被排斥,并在冷边界处聚集。通过事件驱动的分子动力学模拟,我们表明,对于足够大的ΔT或覆盖率ρ∗,晶体在冷边界形成。在这个空间不均匀的系统中,圆盘扩散率的显著降低清楚地标志着液体和晶体之间的静止界面。通过径向分布函数和键序参数的计算也支持了这种行为。模拟表明,对于这个非平衡系统,能量均分成立,速度服从玻尔兹曼分布。