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

doi:10.1016/j.jnucmat.2013.01.123

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

Department of Physics

Research output: Contribution to journal › Conference article › Scientific › peer-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 language	English
Journal	Journal of Nuclear Materials
Volume	438
Issue number	Suppl.
Pages (from-to)	S589 - S593
Number of pages	5
ISSN	0022-3115
DOIs	https://doi.org/10.1016/j.jnucmat.2013.01.123
Publication status	Published - Jul 2013
MoE publication type	A4 Article in conference proceedings
Event	International Conference on Plasma-Surface Interactions in Controlled Fusion Devices - Aachen, Germany Duration: 1 Jan 1800 → … Conference number: 20

Fields of Science

114 Physical sciences

Access to Document

10.1016/j.jnucmat.2013.01.123

Cite this

@article{47fc55855f374d06a89996de36106091,

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 ; International Conference on Plasma-Surface Interactions in Controlled Fusion Devices ; Conference date: 01-01-1800",

year = "2013",

month = jul,

doi = "10.1016/j.jnucmat.2013.01.123",

language = "English",

volume = "438",

pages = "S589 -- S593",

journal = "Journal of Nuclear Materials",

issn = "0022-3115",

publisher = "Elsevier Scientific Publ. Co",

number = "Suppl.",

}

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 - Conference code: 20

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

SN - 0022-3115

VL - 438

SP - S589 - S593

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

IS - Suppl.

T2 - International Conference on Plasma-Surface Interactions in Controlled Fusion Devices

Y2 - 1 January 1800

ER -