成核
亚稳态
播种
Crystal(编程语言)
材料科学
经典成核理论
化学物理
球体
同种类的
热力学
化学
物理
计算机科学
有机化学
天文
程序设计语言
作者
Jorge R. Espinosa,Carlos Vega,Chantal Valeriani,Eduardo Sanz
摘要
We present a study of homogeneous crystal nucleation from metastable fluids via the seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones, and Hard Spheres. Combining simulations of spherical crystal seeds embedded in the metastable fluid with classical nucleation theory, we are able to successfully describe the nucleation rate for all systems in a wide range of metastability. The crystal-fluid interfacial free energy extrapolated to coexistence conditions is also in good agreement with direct calculations of such parameter. Our results show that seeding is a powerful technique to investigate crystal nucleation.
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