首页> 中文期刊> 《中国颗粒学报:英文版》 >MOLECULAR DYNAMICS SIMULATION OF SELF-ORGANIZED STRUCTURE IN MICRO-PHASE SEPARATION OF NANO-SCALE FILM

MOLECULAR DYNAMICS SIMULATION OF SELF-ORGANIZED STRUCTURE IN MICRO-PHASE SEPARATION OF NANO-SCALE FILM

         

摘要

Self-organization in thin micro-films has shown potential for the production of microelements with specific structures and functions; however, little is known about its mechanism of formation. A 2-D molecular dynamics (MD) simulation on this process is carried out in this paper for films between two parallel walls (substrates) under different ini-tial conditions. The films consist of two immiscible components (A and B). The simulation results in alternative columns perpendicular to the walls, which are rich either in A or in B molecules, respectively, apparently owing to their different interactions with the walls. The characteristic breadths of the columns depend on the distance between the two walls. By providing microscopic details of the self-organization processes and the resulted structures, MD simulation proves itself as a unique way for analyzing the dynamics of thin films.

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