Emission of full and partial dislocations from a crack in BCC and FCC metals: An atomistic study

Research output: Contribution to journalArticle

Standard

Emission of full and partial dislocations from a crack in BCC and FCC metals: An atomistic study. / Terentyev, Dmitry; Zhurkin, E.E.; Bonny, Giovanni; Konstantinovic, Milan (Peer reviewer).

In: Computational Materials Science, Vol. 55, No. 1, 01.02.2012, p. 313-321.

Research output: Contribution to journalArticle

Bibtex - Download

@article{5f94b9d8018748babbfeea3a7eb136c2,
title = "Emission of full and partial dislocations from a crack in BCC and FCC metals: An atomistic study",
abstract = "The behavior of crack propagation and blunting at different strain rates, temperature and crack geometry in BCC-Fe, W, and FCC-Ni, Cu has been studied by molecular dynamics under load mode I. Large scale atomistic simulations coupled with a structural analysis have been performed to reveal conditions at which dislocations can be emitted from a semi-infinite crack. In FCC metals the crack tip is blunted by the plastic deformation due to the nucleation and emission of dislocations. These processes, however, occur in a different manner in Ni and Cu. It can be concluded that the formation of stacking faults and twins at a crack tip is particularly important for brittle cleavage. In BCC crystals the crack was found to open without plastic deformation, however, the strain work hardening has a significant dependence on temperature. The critical stress intensity factor for brittle cleavage or dislocation emission was calculated from the stress tensor measured on atoms located at the crack tip. The obtained results are discussed and compared with predictions of elasticity theory.",
keywords = "Metals, Crack, Dislocaiton",
author = "Dmitry Terentyev and E.E. Zhurkin and Giovanni Bonny and Milan Konstantinovic",
note = "Score = 10",
year = "2012",
month = "2",
day = "1",
doi = "10.1016/j.commatsci.2011.11.010",
language = "English",
volume = "55",
pages = "313--321",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier",
number = "1",

}

RIS - Download

TY - JOUR

T1 - Emission of full and partial dislocations from a crack in BCC and FCC metals: An atomistic study

AU - Terentyev, Dmitry

AU - Zhurkin, E.E.

AU - Bonny, Giovanni

A2 - Konstantinovic, Milan

N1 - Score = 10

PY - 2012/2/1

Y1 - 2012/2/1

N2 - The behavior of crack propagation and blunting at different strain rates, temperature and crack geometry in BCC-Fe, W, and FCC-Ni, Cu has been studied by molecular dynamics under load mode I. Large scale atomistic simulations coupled with a structural analysis have been performed to reveal conditions at which dislocations can be emitted from a semi-infinite crack. In FCC metals the crack tip is blunted by the plastic deformation due to the nucleation and emission of dislocations. These processes, however, occur in a different manner in Ni and Cu. It can be concluded that the formation of stacking faults and twins at a crack tip is particularly important for brittle cleavage. In BCC crystals the crack was found to open without plastic deformation, however, the strain work hardening has a significant dependence on temperature. The critical stress intensity factor for brittle cleavage or dislocation emission was calculated from the stress tensor measured on atoms located at the crack tip. The obtained results are discussed and compared with predictions of elasticity theory.

AB - The behavior of crack propagation and blunting at different strain rates, temperature and crack geometry in BCC-Fe, W, and FCC-Ni, Cu has been studied by molecular dynamics under load mode I. Large scale atomistic simulations coupled with a structural analysis have been performed to reveal conditions at which dislocations can be emitted from a semi-infinite crack. In FCC metals the crack tip is blunted by the plastic deformation due to the nucleation and emission of dislocations. These processes, however, occur in a different manner in Ni and Cu. It can be concluded that the formation of stacking faults and twins at a crack tip is particularly important for brittle cleavage. In BCC crystals the crack was found to open without plastic deformation, however, the strain work hardening has a significant dependence on temperature. The critical stress intensity factor for brittle cleavage or dislocation emission was calculated from the stress tensor measured on atoms located at the crack tip. The obtained results are discussed and compared with predictions of elasticity theory.

KW - Metals

KW - Crack

KW - Dislocaiton

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_125652

UR - http://knowledgecentre.sckcen.be/so2/bibref/9674

U2 - 10.1016/j.commatsci.2011.11.010

DO - 10.1016/j.commatsci.2011.11.010

M3 - Article

VL - 55

SP - 313

EP - 321

JO - Computational Materials Science

JF - Computational Materials Science

SN - 0927-0256

IS - 1

ER -

ID: 317717