Surface-Heating Algorithm for Water at Nanoscale

A novel surface-heating algorithm for water is developed for molecular dynamics simulations. The validated algorithm can simulate the transient behavior of the evaporation of water when heated from a surface, which has been lacking in the literature. In this work, the algorithm is used to study the...

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Veröffentlicht in:	The journal of physical chemistry letters 2015-09, Vol.6 (18), p.3765-3769
Hauptverfasser:	YD, Sumith, Maroo, Shalabh C
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Heating Molecular Dynamics Simulation Nanotechnology Particle Size Platinum - chemistry Surface Properties Water - chemistry
Online-Zugang:	Volltext
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