화학공학소재연구정보센터
Journal of Colloid and Interface Science, Vol.580, 135-145, 2020
Between two and three dimensions: Crystal structures in a slit pore
The structure of a simple monatomic system in a slit pore has been studied by means of the molecular dynamics simulation. Nowadays, it is supposed that the structure of crystals in a narrow pore (narrower than approximately eight atomic diameters) should be described as a set of two-dimensional layers with either triangular, or square symmetry. In addition, a buckled phase can appear with particles located in zigzag way around a plane. It is shown that all these structures can be considered as cuts of FCC or HCP structures. (C) 2020 Elsevier Inc. All rights reserved.