Sputtering of Be/C/W compounds in Molecular Dynamics and ERO simulations

Markus I. Airila, Carolina Maria Isabel Björkas, Ane Lasa Esquisabel, Andrea Elisabet Meinander, Kai Nordlund, Katharina Vörtler

Research output: Contribution to journalConference articleScientificpeer-review

Abstract

We have implemented molecular dynamics (MD) generated sputtering data in the Monte Carlo impurity transport code ERO. The data set covers D bombardment of BeC, Be2C, Be2W, W2C and WC that are potentially formed on divertor targets in machines operating with an ITER-like wall. We see that intermediate compounds can have a sputtering yield different from that estimated from a homogeneous mixture, especially in the case of carbide formation with its characteristic strong bonding. At other stoichiometries, grain formation affect the yields. We also observe preferential sputtering of the lighter elements and molecular release. A linear interpolation method is proposed for the evaluation of the sputtering behaviour of any ternary Be/C/W composition.
Original languageEnglish
JournalJournal of Nuclear Materials
Volume438
Issue numberSuppl.
Pages (from-to)S589 - S593
Number of pages5
ISSN0022-3115
DOIs
Publication statusPublished - Jul 2013
MoE publication typeA4 Article in conference proceedings
EventInternational Conference on Plasma-Surface Interactions in Controlled Fusion Devices - Aachen, Germany
Duration: 1 Jan 1800 → …
Conference number: 20

Fields of Science

  • 114 Physical sciences

Cite this

Airila, Markus I. ; Björkas, Carolina Maria Isabel ; Lasa Esquisabel, Ane ; Meinander, Andrea Elisabet ; Nordlund, Kai ; Vörtler, Katharina. / Sputtering of Be/C/W compounds in Molecular Dynamics and ERO simulations. In: Journal of Nuclear Materials. 2013 ; Vol. 438, No. Suppl. pp. S589 - S593.
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title = "Sputtering of Be/C/W compounds in Molecular Dynamics and ERO simulations",
abstract = "We have implemented molecular dynamics (MD) generated sputtering data in the Monte Carlo impurity transport code ERO. The data set covers D bombardment of BeC, Be2C, Be2W, W2C and WC that are potentially formed on divertor targets in machines operating with an ITER-like wall. We see that intermediate compounds can have a sputtering yield different from that estimated from a homogeneous mixture, especially in the case of carbide formation with its characteristic strong bonding. At other stoichiometries, grain formation affect the yields. We also observe preferential sputtering of the lighter elements and molecular release. A linear interpolation method is proposed for the evaluation of the sputtering behaviour of any ternary Be/C/W composition.",
keywords = "114 Physical sciences",
author = "Airila, {Markus I.} and Bj{\"o}rkas, {Carolina Maria Isabel} and {Lasa Esquisabel}, Ane and Meinander, {Andrea Elisabet} and Kai Nordlund and Katharina V{\"o}rtler",
note = "Volume: 438 Host publication title: Proceedings of the 20th International Conference on Plasma-Surface Interactions in Controlled Fusion Devices Proceeding volume:",
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Sputtering of Be/C/W compounds in Molecular Dynamics and ERO simulations. / Airila, Markus I. ; Björkas, Carolina Maria Isabel; Lasa Esquisabel, Ane; Meinander, Andrea Elisabet; Nordlund, Kai; Vörtler, Katharina.

In: Journal of Nuclear Materials, Vol. 438, No. Suppl., 07.2013, p. S589 - S593.

Research output: Contribution to journalConference articleScientificpeer-review

TY - JOUR

T1 - Sputtering of Be/C/W compounds in Molecular Dynamics and ERO simulations

AU - Airila, Markus I.

AU - Björkas, Carolina Maria Isabel

AU - Lasa Esquisabel, Ane

AU - Meinander, Andrea Elisabet

AU - Nordlund, Kai

AU - Vörtler, Katharina

N1 - Volume: 438 Host publication title: Proceedings of the 20th International Conference on Plasma-Surface Interactions in Controlled Fusion Devices Proceeding volume:

PY - 2013/7

Y1 - 2013/7

N2 - We have implemented molecular dynamics (MD) generated sputtering data in the Monte Carlo impurity transport code ERO. The data set covers D bombardment of BeC, Be2C, Be2W, W2C and WC that are potentially formed on divertor targets in machines operating with an ITER-like wall. We see that intermediate compounds can have a sputtering yield different from that estimated from a homogeneous mixture, especially in the case of carbide formation with its characteristic strong bonding. At other stoichiometries, grain formation affect the yields. We also observe preferential sputtering of the lighter elements and molecular release. A linear interpolation method is proposed for the evaluation of the sputtering behaviour of any ternary Be/C/W composition.

AB - We have implemented molecular dynamics (MD) generated sputtering data in the Monte Carlo impurity transport code ERO. The data set covers D bombardment of BeC, Be2C, Be2W, W2C and WC that are potentially formed on divertor targets in machines operating with an ITER-like wall. We see that intermediate compounds can have a sputtering yield different from that estimated from a homogeneous mixture, especially in the case of carbide formation with its characteristic strong bonding. At other stoichiometries, grain formation affect the yields. We also observe preferential sputtering of the lighter elements and molecular release. A linear interpolation method is proposed for the evaluation of the sputtering behaviour of any ternary Be/C/W composition.

KW - 114 Physical sciences

U2 - 10.1016/j.jnucmat.2013.01.123

DO - 10.1016/j.jnucmat.2013.01.123

M3 - Conference article

VL - 438

SP - S589 - S593

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

IS - Suppl.

ER -