The equilibrium structure and thermodynamic behavior of a soft matter suspension of hard-core soft-shell (HCSS) colloids has been modeled using stochastic hard collision (SHC) dynamics [Craven et al., J. Chem. Phys. 2013, 138, 244901]. SHC dynamics includes the effects of inter-penetrability of soft particles while retaining the computational efficiency of hard collision dynamics. The HCSS colloids are characterized using two parameters: softness parameter (a measure of the propensity toward interpenetration), and core-to-shell ratio. In both, molecular dynamics and Monte-Carlo simulations, the softness parameter is seen to profoundly affect the effective packing fraction and the thermodynamic behavior of the system. Once we accounted for the trivial effects from changes in the reduced volume fraction on changing softness, we found that the inter-particle penetration continues to affect this behavior. The structural origin of this nontrivial effect likely lies in the loss of translational order upon increasing softness.

硬核软壳（HCSS）胶体的软物质悬浮液的平衡结构和热力学行为已使用随机硬碰撞（SHC）动力学进行了建模[Craven et al。，J.Chem。物理 2013，138，244901]。SHC动力学包括软粒子互穿性的影响，同时保留了硬碰撞动力学的计算效率。HCSS胶体的特征在于两个参数：柔软度参数（互穿倾向的量度）和核壳比。在分子动力学和蒙特卡洛模拟中，柔软度参数都将深刻影响有效填充率和系统的热力学行为。一旦我们考虑了减少的体积分数变化对柔软度变化的微不足道的影响，我们发现粒子间的渗透继续影响这种行为。这种非平凡效果的结构起因可能是随着柔软度的增加，翻译顺序的丧失。