Record R0b2

W (bcc): 200 simulations of a 1 keV W PKA at 300 K, 100 ps. Contributed by Aslak FELLMAN.

SHA-256 of 0b2-ATZN-void-1-1-15.tar.bz2: 80815735dff562aa91643f9d9652c09369ad809b51759f924e176a809f7dd7a0

If you use these data, please cite A. Fellman et al., “Radiation damage in tungsten from cascade overlap with voids and vacancy clusters”, Journal of Physics: Condensed Matter 31, 405402 (2019). doi:10.1088/1361-648x/ab2ea4

Attribution

Contributor

Aslak FELLMAN

Affiliation

Department of Physics, University of Helsinki

Country

Finland

Email

aslak.fellman@helsinki.fi

Publication DOI

10.1088/1361-648x/ab2ea4

Acknowledgements

This work has been carried out within the framework of the EURO-fusion Consortium and has received funding from the Euratom research and training programme 2014 – 2018 under grant agreement No. 633053.The views and opinions expressed herein do not necessarily reflect those of the European Commission. AES acknowledges support from the Academy of Finland through project No. 311472. We acknowledge grants of computer capacity from the IT Centre for Science in Finland, CSC and the Finnish Grid and Cloud Infrastructure (persistent identifier urn:nbn:fi:research-infras-2016072533)

Material

Formula

W

Structure

bcc

Lattice lengths a, b, c (Å)

3.1652 3.1652 3.1652

Lattice angles alpha, beta, gamma (deg)

90 90 90

Surface

no

Initially perfect

no

PKA

PKA atomic number

74 (W)

PKA energy (keV)

1

PKA by recoil

yes

Simulation set-up

Number of simulations

200

Simulation time (ps)

100

Initial temperature (K)

300

Box lengths (Å)

170.951363 170.952174 170.953635

Box orientation

100 010 001

Electronic stopping

yes

Electronic stopping comment

for all atoms with K.E. >10 eV

Thermostat

yes

Thermostat comment

On the border atoms

Potential

P15

Code

PARCAS

Code version

V5.22

Input files

md.in-*

Initial configuration file

W-1-void-1-300.xyz

Initial configuration comments

Initial defect: void consisting of 1 vacancies. PKA chosen 15 Å from cell center.

Comments

Comments

Collision cascade simulations with systems containing vacancy type defects in tungsten

XYZ columns