IAC-CNR, via dei Taurini 9, 00185, Roma, Italy.
J Chem Phys. 2011 Sep 28;135(12):124902. doi: 10.1063/1.3643326.
We present a mesoscopic lattice model for non-ideal fluid flows with directional interactions, mimicking the effects of hydrogen bonds in water. The model supports a rich and complex structural dynamics of the orientational order parameter, and exhibits the formation of disordered domains whose size and shape depend on the relative strength of directional order and thermal diffusivity. By letting the directional forces carry an inverse density dependence, the model is able to display a correlation between ordered domains and low density regions, reflecting the idea of water as a denser liquid in the disordered state than in the ordered one.
我们提出了一个介观格子模型，用于模拟具有方向相互作用的非理想流体流动，该模型模拟了氢键在水中的作用。该模型支持各向异性序参量的丰富而复杂的结构动力学，并表现出无序域的形成，其大小和形状取决于方向有序和热扩散率的相对强度。通过让方向力具有逆密度依赖性，该模型能够显示有序域和低密度区域之间的相关性，反映了水在无序态比在有序态下更密集的液体的想法。
