Chung, Pil Seung Park, Sejoon Vemuri, Sesha Hari Jhon, Myung S. 2024-01-20T06:00:20Z 2024-01-20T06:00:20Z 2021-09-05 2015-11 0018-9464 https://pubs.kist.re.kr/handle/201004/124834 In this paper, we analyzed atomistic and molecular architectural effects on the film microstructure and morphological properties for the monolayer perfluoropolyether (PFPE) lubricant film by investigating PFPEs with different molecular structures and functionalities (Zdol, Ztetraol, Ztetraol multidentate, and TA-30) via large-scale coarse-grained bead-spring molecular dynamics originating from the atomistic theory. Film surface morphology was examined by average height and root mean square roughness, and the internal clusters of functional groups on the surface were characterized by the radial distribution function of functional groups, followed by the quantitative estimation of adhesion ratio and coordination number. We also illustrate the effects of molecular structure on the film conformation, which is useful to molecular design criteria for the head-disk interface. English IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC SIMULATION Atomistic and Molecular Effects on the Surface Morphology and Film Conformation of Perfluoropolyether Lubricant Layer Article 10.1109/TMAG.2015.2436895 1 IEEE TRANSACTIONS ON MAGNETICS, v.51, no.11 IEEE TRANSACTIONS ON MAGNETICS 51 11 scie scopus 000364770500289 2-s2.0-84946236098 Engineering, Electrical & Electronic Physics, Applied Engineering Physics Article; Proceedings Paper SIMULATION Film conformation head-disk interface (HDI) lubricant film molecular dynamics (MD) perfluoropolyether (PFPE)