Effects of Water on Tribochemical Wear of Silicon Oxide Interface : Molecular Dynamics (MD) Study with Reactive Force Field (ReaxFF)

Molecular dynamics (MD) simulations with the ReaxFF reactive force field were carried out to find the atomistic mechanisms for tribochemical reactions occurring at the sliding interface of fully hydroxylated amorphous silica and oxidized silicon as a function of interfacial water amount. The ReaxFF-...

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Veröffentlicht in:	Langmuir : the ACS journal of surfaces and colloids. - 1992. - 32(2016), 4 vom: 02. Feb., Seite 1018-26
1. Verfasser:	Yeon, Jejoon (VerfasserIn)
Weitere Verfasser:	van Duin, Adri C T, Kim, Seong H
Format:	Online-Aufsatz
Sprache:	English
Veröffentlicht:	2016
Zugriff auf das übergeordnete Werk:	Langmuir : the ACS journal of surfaces and colloids
Schlagworte:	Journal Article Research Support, U.S. Gov't, Non-P.H.S.