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Structure and strength of (1 1 0) tilt grain boundaries in BCC Fe: an atomistic study

Autor
Terentyev, D.; He, X.; Serra, A.; Kuriplach, J.
Tipus d'activitat
Article en revista
Revista
Computational materials science
Data de publicació
2010-08
Volum
49
Número
2
Pàgina inicial
419
Pàgina final
429
DOI
https://doi.org/10.1016/j.commatsci.2010.05.033 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/10228 Obrir en finestra nova
Resum
In this work we study a set of $\left<{1\:1\:0}\right>$ tilt grain boundaries (GB) with a misorientation angle varied from 26º to 141º by applying atomistic calculations in α-Fe. A set of different interatomic potentials was used to deduce the most energetically favourable configurations, the gamma surface profile and sliding pathway. The uniaxial loading tests were performed by pulling apart two grains to calculate the separation energy profile, cleavage stress and to study the process of th...
Citació
Terentyev, D. [et al.]. Structure and strength of (1 1 0) tilt grain boundaries in bcc Fe: an atomistic study. "Computational materials science", Agost 2010, vol. 49, núm. 2, p. 419-429.
Grup de recerca
SC-SIMBIO - Sistemes complexos. Simulació discreta de materials i de sistemes biològics

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