Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations

Markus Airila (Corresponding Author), C. Björkas, A. Lasa, A. Meinander, K. Nordlund, K. Vörtler

Research output: Contribution to journalArticleScientificpeer-review

3 Citations (Scopus)

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
Pages (from-to)S589-S593
Number of pages5
JournalJournal of Nuclear Materials
Volume438
Issue numberSupplement
DOIs
Publication statusPublished - 2013
MoE publication typeA1 Journal article-refereed
Event20th International Conference on Plasma-Surface Interactions in Controlled Fusion Devices - Aachen, Aachen, Germany
Duration: 21 May 201225 May 2012

Fingerprint

Sputtering
Molecular dynamics
sputtering
molecular dynamics
simulation
grain formation
Stoichiometry
carbides
interpolation
Carbides
bombardment
stoichiometry
Interpolation
Impurities
impurities
compound W
evaluation
Chemical analysis

Cite this

Airila, M., Björkas, C., Lasa, A., Meinander, A., Nordlund, K., & Vörtler, K. (2013). Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations. Journal of Nuclear Materials, 438(Supplement), S589-S593. https://doi.org/10.1016/j.jnucmat.2013.01.123
Airila, Markus ; Björkas, C. ; Lasa, A. ; Meinander, A. ; Nordlund, K. ; Vörtler, K. / Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations. In: Journal of Nuclear Materials. 2013 ; Vol. 438, No. Supplement. pp. S589-S593.
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Airila, M, Björkas, C, Lasa, A, Meinander, A, Nordlund, K & Vörtler, K 2013, 'Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations', Journal of Nuclear Materials, vol. 438, no. Supplement, pp. S589-S593. https://doi.org/10.1016/j.jnucmat.2013.01.123

Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations. / Airila, Markus (Corresponding Author); Björkas, C.; Lasa, A.; Meinander, A.; Nordlund, K.; Vörtler, K.

In: Journal of Nuclear Materials, Vol. 438, No. Supplement, 2013, p. S589-S593.

Research output: Contribution to journalArticleScientificpeer-review

TY - JOUR

T1 - Sputtering of Be/C/W compounds in molecular dynamics and ERO simulations

AU - Airila, Markus

AU - Björkas, C.

AU - Lasa, A.

AU - Meinander, A.

AU - Nordlund, K.

AU - Vörtler, K.

PY - 2013

Y1 - 2013

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.

U2 - 10.1016/j.jnucmat.2013.01.123

DO - 10.1016/j.jnucmat.2013.01.123

M3 - Article

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SP - S589-S593

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

IS - Supplement

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