Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Ross A. Stewart"'
Publikováno v:
ACS Applied Polymer Materials. 1:2613-2621
The adhesion behavior of perfluoropolyether (PFPE) on rough silica surfaces is investigated by steered molecular dynamics simulations. To reproduce bond breakage during sliding of PFPE, a dynamic bond breaking method is developed and applied to the P
Autor:
Sung Hoon Lee, Ross J. Stewart, Eunseog Cho, Xiaoxia He, Aravind Rammohan, Kyoungmin Min, Sushmit Goyal, Hyunhang Park
Publikováno v:
The Journal of Physical Chemistry C. 122:17190-17198
Development of a novel polymeric binder material is necessary for improving the electrochemical performance of silicon-based anodes for Li-ion batteries, suffering from irreversible capacity loss due to their huge volume change during the electrochem
Autor:
Kyoungmin Min, Hyunbin Kim, John C. Mauro, Sung Hoon Lee, Sushmit Goyal, Hyunhang Park, Jai-Kwang Shin, Hyo Sug Lee, Aravind Rammohan, Venkatesh Botu, Ross J. Stewart, Eunseog Cho
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-11 (2017)
Scientific Reports
Scientific Reports
This manuscript provides a comprehensive study of adhesion behavior and its governing mechanisms when polyimide undergoes various modes of detachment from silica glass. Within the framework of steered molecular dynamics, we develop three different ad
Autor:
Sushmit Goyal, Ross J. Stewart, Sung Hoon Lee, Eunseog Cho, Hendrik Heinz, Aravind Rammohan, Hyun Hang Park, Kyoungmin Min
Publikováno v:
The Journal of Chemical Physics. 150:174703
In this work, we use realistic silicate glass surface models, with molecular dynamics simulations, and present an algorithm for proper atomic partial charge assignment, consistent with measurable internal dipoles. The immersion energy is calculated f