Extending the scope of 'in silico experiments': Theoretical approaches for the investigation of reaction mechanisms, nucleation events and phase transitions

Science and Technology of Advanced Materials

Volumn 8, Issue 5, 2007, Pages 434-441

  Zahn, Dirk ^a   Hochrein, Oliver ^a   Kawska, Agnieszka ^a   Seifert, Gotthard ^b   Grin, Yuri ^a   Kniep, Rüdiger ^a   Leoni, Stefano ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Molecular dynamics; Nucleation; Phase transition; Reaction mechanism

Indexed keywords

COMPUTATIONAL EFFICIENCY; COMPUTER SIMULATION; FULLERENES; IMAGE RESOLUTION; LARGE SCALE SYSTEMS; MECHANIZATION; MOLECULAR DYNAMICS;

ATOMISTIC MECHANISMS; ION AGGREGATION; MACROSCOPIC SCALE; REACTION MECHANISM;

NUCLEATION;

EID: 34548504569     PISSN: 14686996     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.stam.2007.05.003     Document Type: Article

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