|About this Abstract
||2017 TMS Annual Meeting & Exhibition
||8th International Symposium on High Temperature Metallurgical Processing
||E-47: Ab-initio Molecular Dynamics Simulation of High Temperature Sulfur Evaporating Behavior in Vacuum
||Fansong Liu, Yuezhen Zhou, Dachun Liu, Xiumin Chen, Chongfang Yang, Wei Li
|On-Site Speaker (Planned)
Ab initio molecular dynamics (AIMD) simulation was used to study the structures, stabilities and evaporation properties of sulfur at high temperature and vacuum. The simulation results show that S-S bond tend to fracture in sulfur supercell, when sulfur supercell structure has transformed from ring to open-chain. It was also found that the sulfur molecules which consisted by relatively more atoms were intended to form sulfur molecules with less atoms, and its stabilities were reduced.
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