论文标题
蒸气 - 液体共存和过渡的最小相位晶体建模
Minimal phase-field crystal modeling of vapor-liquid-solid coexistence and transitions
论文作者
论文摘要
开发了基于融合高阶内颗粒直接相关的密度场方法的相位场晶体模型，以研究单个连续性描述中的蒸气 - 液体 - 固体共存和过渡。实现相共存和过渡序列的条件是系统分析的，并通过广泛的模型参数显示出可以满足模型的高灵活性和适用性。鉴定了温度密度和温度压力相图，而三个阶段之间的结构演变和共存。该模型还能够产生某种温度和压力相关的材料特性，包括热膨胀和压力对平衡晶格间距的影响以及饱和蒸气压的温度依赖性。该模型可以用作一种有效的方法，用于研究基于蒸气固体，液固液和蒸气液生长的各种材料生长和沉积过程。
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description. Conditions for the realization of the phase coexistence and transition sequence are systematically analyzed and shown to be satisfied by a broad range of model parameters, demonstrating the high flexibility and applicability of the model. Both temperature-density and temperature-pressure phase diagrams are identified, while structural evolution and coexistence among the three phases are examined through dynamical simulations. The model is also able to produce some temperature and pressure related material properties, including effects of thermal expansion and pressure on equilibrium lattice spacing, and temperature dependence of saturation vapor pressure. This model can be used as an effective approach for investigating a variety of material growth and deposition processes based on vapor-solid, liquid-solid, and vapor-liquid-solid growth.
