Density functional theory of heterogeneous nucleation and microstructure formation

冻结的密度泛函理论将被用作非均相晶体成核和随后微观结构形成的微观理论。将确定外部系统边界和固定粒子在规定位置周围的非均相成核，并在动态密度泛函理论中计算随后的固体微观结构的生长。将探讨在更大的长度和时间尺度上运行的相场模型的联系。结果将与计算机模拟和胶体悬浮液实验等补充方法进行比较。

Density functional theory of freezing will be employed as a microscopic theory for heterogeneous crystal nucleation and subsequent microstructure formation. Heterogeneous nucleation at external system boundaries and around fixed particles at prescribed positions will be determined and the subsequent growth into a solid microstructure will be calculated within dynamical density functional theory. The connection to phase field models which operate on larger length and time scales will be explored. Results will be compared to complementary approaches like computer simulations and experiments on colloidal suspensions.