Frenkel Gad, Schwartz Moshe
Faculty of Engineering, Ruppin Academic Center, Emek-Hefer, 40250, Monash, Israel.
School of Physics and Astronomy, Raymond and Beverly Faculty of Exact Sciences, Tel Aviv University, 69978, Tel Aviv, Israel.
Sci Rep. 2019 Sep 4;9(1):12784. doi: 10.1038/s41598-019-47269-3.
Mixing in many body systems is intuitively understood as the change in time of the set of neighbors surrounding each particle. Its rate and its development over time hold important clues to the behavior of many body systems. For example, gas particles constantly change their position and surrounding particles, while in solids one expects the motion of the atoms to be limited by a fixed set of neighboring atoms. In other systems the situation is less clear. For example, agitated granular systems may behave like a fluid, a solid or glass, depending on various parameter such as density and friction. Thus, we introduce a parameter which describes the mixing rate in many body systems in terms of changes of a properly chosen adjacency matrix. The parameter is easily measurable in simulations but not in experiment. To demonstrate an application of the concept, we simulate a many body system, with particles interacting via a two-body potential and calculate the mixing rate as a function of time and volume fraction. The time dependence of the mixing rate clearly indicates the onset of crystallization.
在许多体系统中,混合直观上被理解为围绕每个粒子的邻居集随时间的变化。其速率及其随时间的发展为多体系统的行为提供了重要线索。例如,气体粒子不断改变其位置和周围粒子,而在固体中,人们预期原子的运动受到一组固定的相邻原子的限制。在其他系统中,情况则不太明确。例如,搅拌的颗粒系统可能表现得像流体、固体或玻璃,这取决于密度和摩擦等各种参数。因此,我们引入一个参数,该参数根据适当选择的邻接矩阵的变化来描述多体系统中的混合速率。该参数在模拟中易于测量,但在实验中则不然。为了演示该概念的应用,我们模拟了一个多体系统,其中粒子通过两体势相互作用,并计算混合速率作为时间和体积分数的函数。混合速率的时间依赖性清楚地表明了结晶的开始。