胶体硬超球的Phase diagram：从立方体到球体再到八面体
Phase diagram of colloidal hard superballs: from cubes via spheres to octahedra
摘要：
通过蒙特卡罗模拟中的自由能计算，确定了胶体硬超球的相图，其形状介于立方体和八面体之间。我们不仅发现了一个稳定的面心立方（fcc）塑料晶体相的近球形颗粒，但也有一个稳定的体心立方（bcc）塑料晶体接近八面体形状，事实上，这两种塑料晶体的共存，甚至有很大的密度差距。塑性fcc和bcc晶体，然而，在立方体和八面体极限不稳定，这表明超级球的圆角在稳定转子相位中起着重要作用。此外，我们观察到一个两步熔化现象的硬八面体，其中闵可夫斯基晶体熔化成一个亚稳体心立方塑性晶体熔化成流体相之前。
英文摘要：
The phase diagram of colloidal hard superballs, of which the shape interpolates between cubes and octahedra via spheres, is determined by free-energy calculations in Monte Carlo simulations. We discover not only a stable face-centered cubic (fcc) plastic crystal phase for near-spherical particles, but also a stable body-centered cubic (bcc) plastic crystal close to the octahedron shape, and in fact even coexistence of these two plastic crystals with a substantial density gap. The plastic fcc and bcc crystals are, however, unstable in the cube and octahedron limit, suggesting that the rounded corners of superballs play an important role in stablizing the rotator phases. In addition, we observe a two-step melting phenomenon for hard octahedra, in which the Minkowski crystal melts into a metastable bcc plastic crystal before melting into the fluid phase.
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