Novel sp3 forms of carbon predicted by evolutionary metadynamics and analysis of their synthesizability using transition path sampling

Journal of Superhard Materials

Volumn 34, Issue 6, 2012, Pages 350-359

  Boulfelfel, S E ^a   Zhu, Q ^a   Oganov, A R ^a,b  

^a STONY BROOK UNIVERSITY   (United States)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

carbon; high pressure; metadynamics; molecular dynamics; polymorphism; superhard material

Indexed keywords

HIGH PRESSURE; METADYNAMICS; NUCLEATION MECHANISM; REAL TRANSFORMATION; SUPERHARD MATERIAL; TRANSFORMATION KINETICS; TRANSITION MECHANISM; TRANSITION PATH SAMPLING;

CARBON; HIGH PRESSURE ENGINEERING; KINETICS; MOLECULAR DYNAMICS; POLYMORPHISM;

GRAPHITE;

EID: 84874597036     PISSN: 10634576     EISSN: 19349408     Source Type: Journal    
DOI: 10.3103/S1063457612060093     Document Type: Article

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