期刊
ACS NANO
卷 5, 期 4, 页码 2895-2907出版社
AMER CHEMICAL SOC
DOI: 10.1021/nn103502p
关键词
block copolymer; thin film morphology; lamellar alignment; molecular dynamics (MD); simulation
类别
资金
- U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]
Next-generation applications of block copolymer thin films will require a better understanding of the driving forces unique to thin film coatings, specifically time arising from the polymer-air Interface. Previous modeling studies of film morphology have treated rigidly confined films, neglecting free surface considerations altogether. We report in this article the first systematic molecular dynamics investigation of block copolymer thin film ordering for unconfined films. We investigate the molecular basis of the formation of a number of experimentally relevant coating features, including surface islands and vertical lamellae.. Surface islands are found to form in response to film incommensurability, whereas commensurability considerations are insufficient to explain vertical lamellar formation. Dynamics of lamellar formation presented herein demonstrate that vertical lamellar orientation Is' Initiated In the surface regions of the film, most strikingly at the free surface. We conclude that the free surface plays a pivotal role In the free energy balance determining overall film morphology, and that confinement models provide an incomplete explanation of the physical basis of morphology selection In block copolymer coatings.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据