Segregation of Mg to generic tilt grain boundaries in Al: Monte Carlo modeling
2015 (English)In: Materials Physics and Mechanics, ISSN 1605-2730, E-ISSN 1605-8119, Vol. 24, no 3, 201-210 p.Article in journal (Refereed) PublishedText
The formation of equilibrium segregations at tilt grain boundaries of several different types in Al-Mg alloys has been investigated in the framework of a combined approach, which includes molecular dynamics simulation and thermodynamic Monte Carlo modeling. The concentration profile of Mg distribution in GB vicinity was calculated in dependence on the alloy concentration and temperature. We found that width of segregation on generic GB determined by feature of their structure and is match bigger in comparison with special lowenergy GB. It is shown that segregation formation is control not only energy gain due to moving solute on GB but also interaction between solute atoms; as results, maximal enrichment of GB is not exceed 25 at.%. Possible origins of the formation of extended segregation on GB in materials subjected by severe plastic deformation have been discussed.
Place, publisher, year, edition, pages
Institute of Problems of Mechanical Engineering , 2015. Vol. 24, no 3, 201-210 p.
Aluminum, Grain boundaries, Molecular dynamics, Monte Carlo methods, Alloy concentration, Concentration profiles, Equilibrium segregation, Molecular dynamics simulations, Monte Carlo model, Severe plastic deformations, Solute atoms, Tilt grain boundary, Segregation (metallography)
IdentifiersURN: urn:nbn:se:kth:diva-181231ScopusID: 2-s2.0-84947915950OAI: oai:DiVA.org:kth-181231DiVA: diva2:901972
QC 201602092016-02-092016-01-292016-02-09Bibliographically approved