Molecular dynamics simulations of threshold displacement energies in Fe

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Molecular dynamics simulations of threshold displacement energies in Fe. / Malerba, Lorenzo; Nordlund, Kai; Wallenius, Janne; Terentyev, Dmitry (Peer reviewer).

In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 246, No. 2, 17.02.2006, p. 322-332.

Research output: Contribution to journalArticlepeer-review

Harvard

Malerba, L, Nordlund, K, Wallenius, J & Terentyev, D 2006, 'Molecular dynamics simulations of threshold displacement energies in Fe', Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 246, no. 2, pp. 322-332. https://doi.org/10.1016/j.nimb.2006.01.003

APA

Malerba, L., Nordlund, K., Wallenius, J., & Terentyev, D. (2006). Molecular dynamics simulations of threshold displacement energies in Fe. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 246(2), 322-332. https://doi.org/10.1016/j.nimb.2006.01.003

Vancouver

Malerba L, Nordlund K, Wallenius J, Terentyev D. Molecular dynamics simulations of threshold displacement energies in Fe. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2006 Feb 17;246(2):322-332. https://doi.org/10.1016/j.nimb.2006.01.003

Author

Malerba, Lorenzo ; Nordlund, Kai ; Wallenius, Janne ; Terentyev, Dmitry. / Molecular dynamics simulations of threshold displacement energies in Fe. In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms. 2006 ; Vol. 246, No. 2. pp. 322-332.

Bibtex - Download

@article{ae9e38d2b1b74f428b0838134a06831a,
title = "Molecular dynamics simulations of threshold displacement energies in Fe",
abstract = "We compare systematically the threshold displacement energy surface of eleven interatomic potentials in Fe. We discuss in detail different possible defnitions of threshold displacement energies, and how they relate to different kinds of threshold displacement energies. We compare the threshold results to experiments, and find that none of the eleven tested potentials agrees fully with experiments. However, all the potentials predict some qualitative features in the same way, most importantly that the threshold energy surface close to the 100 crystal direction is flat and that the largest threshold energies occur around very roughly the 123 crystal direction.",
keywords = "threshold displacement energy, alpha-Fe, computer simulation",
author = "Lorenzo Malerba and Kai Nordlund and Janne Wallenius and Dmitry Terentyev",
note = "Score = 10",
year = "2006",
month = feb,
day = "17",
doi = "10.1016/j.nimb.2006.01.003",
language = "English",
volume = "246",
pages = "322--332",
journal = "Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms",
issn = "0168-583X",
publisher = "Elsevier",
number = "2",

}

RIS - Download

TY - JOUR

T1 - Molecular dynamics simulations of threshold displacement energies in Fe

AU - Malerba, Lorenzo

AU - Nordlund, Kai

AU - Wallenius, Janne

A2 - Terentyev, Dmitry

N1 - Score = 10

PY - 2006/2/17

Y1 - 2006/2/17

N2 - We compare systematically the threshold displacement energy surface of eleven interatomic potentials in Fe. We discuss in detail different possible defnitions of threshold displacement energies, and how they relate to different kinds of threshold displacement energies. We compare the threshold results to experiments, and find that none of the eleven tested potentials agrees fully with experiments. However, all the potentials predict some qualitative features in the same way, most importantly that the threshold energy surface close to the 100 crystal direction is flat and that the largest threshold energies occur around very roughly the 123 crystal direction.

AB - We compare systematically the threshold displacement energy surface of eleven interatomic potentials in Fe. We discuss in detail different possible defnitions of threshold displacement energies, and how they relate to different kinds of threshold displacement energies. We compare the threshold results to experiments, and find that none of the eleven tested potentials agrees fully with experiments. However, all the potentials predict some qualitative features in the same way, most importantly that the threshold energy surface close to the 100 crystal direction is flat and that the largest threshold energies occur around very roughly the 123 crystal direction.

KW - threshold displacement energy

KW - alpha-Fe

KW - computer simulation

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/ezp_27113

UR - http://knowledgecentre.sckcen.be/so2/bibref/3398

U2 - 10.1016/j.nimb.2006.01.003

DO - 10.1016/j.nimb.2006.01.003

M3 - Article

VL - 246

SP - 322

EP - 332

JO - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

JF - Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

SN - 0168-583X

IS - 2

ER -

ID: 66039