{"qid": "R0b9", "attribution": {"qid": "A14", "contact": {"qid": "C9", "name": "Aslak FELMANN", "institution": {"qid": "I2", "name": "Department of Physics, University of Helsinki", "country": "Finland"}, "email": "aslak.fellman@helsinki.fi"}, "source_doi": "10.1088/1361-648x/ab2ea4", "general-comments": "Collision cascade simulations with systems containing vacancy type defects in tungsten", "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 \u2013 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": {"chemical-formula": "W", "structure": "bcc", "lattice-parameters": {"a": 3.1652, "b": 3.1652, "c": 3.1652, "alpha": 90.0, "beta": 90.0, "gamma": 90.0}}, "potential": {"filename": "eam.W.W.in_AT", "comment": "Modified according to doi: 10.1103/PhysRevB.58.2361", "source-doi": "10.1080/01418618708204464", "uri": "https://cascadesdb.org/potential/15"}, "has-surface": false, "initially-perfect": false, "PKA-atomic-number": 74, "PKA-energy": 5.0, "recoil": true, "electronic-stopping": true, "electronic-stopping-comment": "for all atoms with K.E. >10 eV", "thermostat": true, "thermostat-comment": "On the border atoms", "input-filename": "md.in-*", "simulation-time": 50.0, "initial-temperature": 300.0, "simulation-box": {"box-X-length": 170.95106, "box-Y-length": 170.951805, "box-Z-length": 170.953359, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "PARCAS", "version": "V5.21"}, "archive-name": "0c3-ATZN-void-5-2-15.tar.bz2", "archive_filesize": 1283738835, "number-of-simulations": 200, "initial-configuration-filename": "W-5-void-2-300.xyz", "initial-configuration-comments": "Initial defect: void consisting of 2 vacancies. PKA chosen 15 \u00c5 from cell center."}