Monte Carlo and molecular dynamics simulations of screw dislocation locking by Cottrell atmospheres in low carbon Fe-C alloys

Author(s)

Veiga, R. G. A. ^[1] ; Goldenstein, H. ^[1] ; Perez, M. ^[2] ; Becquart, C. S. ^[3]

Affiliation

^[1] Univ Sao Paulo, Escola Politecn, Dept Engn Met & Mat, BR-05508030 Sao Paulo, SP - Brazil

^[2] Univ Lyon, UMR CNRS 5510, INSA Lyon, MATEIS, F-69621 Villeurbanne - France

^[3] Ecole Natl Super Chim Lille, Unite Mat & Transformat UMET, UMR CNRS 8207, F-59655 Villeneuve Dascq - France

• Document type: Journal article
• Source: SCRIPTA MATERIALIA; v. 108, p. 19-22, NOV 2015.
• Web of Science Citations: 17

Abstract

On-lattice Monte Carlo shows strong carbon segregation at a screw dislocation in bcc iron for carbon contents that vary from 20 to 500 ppm, typical in ultra low and low carbon steels. Molecular dynamics simulations are then carried out using the atomic coordinates of equilibrated Cottrell atmospheres. The stresses required to make the screw dislocation break free of the carbon cloud are very high compared to carbon in solid solution; the locking time is also much longer. All simulations are performed at 300 K. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. (AU)

• FAPESP's process: 14/10294-4 - Multiscale computational modeling of the microstructural evolution and plasticity in metallic alloys
• Grantee: Roberto Gomes de Aguiar Veiga
• Support Opportunities: Research Grants - Young Investigators Grants