Record R0dc

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

SHA-256 of 0dc-ATZN-void-100-59-15.tar.bz2: a5a9b06b9850b5131b1adf642ba60830cedb5025c58fbbe3a28ae2ebbf705df5

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)

Number of simulations: 100
Simulation time (ps): 100
Initial temperature (K): 300
Box lengths (Å): 379.894733 379.894154 379.89248
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: V5.21
Input files: md.in-*
Initial configuration file: W-100-void-59-300.xyz
Initial configuration comments: Initial defect: void consisting of 59 vacancies. PKA chosen 15 Å from cell center.

Comments: Collision cascade simulations with systems containing vacancy type defects in tungsten

#	Name	Units	Description
1	element
2	x	Å
3	y	Å
4	z	Å
5	atom identifier		Atom identifier: integer identifying the atom type.
6	atom index		Atom index
7	PE	eV	Atom potential energy
8	KE	eV	Atom kinetic energy