{"qid": "R01f", "attribution": {"qid": "A6", "contact": {"qid": "C4", "name": "Wahyu SETYAWAN", "institution": {"qid": "I4", "name": "Pacific Northwest National Laboratory (PNNL)", "country": "United States of America"}, "email": "wahyu.setyawan@pnnl.gov"}, "source_doi": "10.1016/j.jnucmat.2014.12.056", "source_url": "http://dx.doi.org/10.1016/j.jnucmat.2014.12.056", "acknowledgements": "This research has been partially supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences (#DE-AC06-76RL0-1830), and partially supported by the U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences and Office of Advanced Scientific Computing Research through the Scientific Discovery through Advanced Computing (SciDAC) Project on Plasma-Surface Interactions, under Award No. DE-SC0008875. Computations were performed on Olympus cluster at Pacific Northwest National Laboratory (Fusion account)."}, "material": {"chemical-formula": "W", "structure": "bcc", "lattice-parameters": {"a": 3.183575, "b": 3.183575, "c": 3.183575, "alpha": 90.0, "beta": 90.0, "gamma": 90.0}}, "potential": {"filename": "W_Juslin2010_AT_mod.eam.fs", "source-doi": "10.1016/j.jnucmat.2012.07.023", "uri": "https://cascadesdb.org/potential/3"}, "has-surface": false, "initially-perfect": true, "PKA-atomic-number": 74, "PKA-energy": 7.5, "recoil": true, "electronic-stopping": false, "thermostat": true, "thermostat-comment": "Initial thermalization: NPT 30 ps Cascade: NVE for the first 10 ps, followed by NVT (whole system); see publication", "input-filename": "therm.in cascade.in", "simulation-time": 30.0, "initial-temperature": 1025.0, "simulation-box": {"box-X-length": 127.343, "box-Y-length": 127.343, "box-Z-length": 127.343, "box-X-orientation": "100", "box-Y-orientation": "010", "box-Z-orientation": "001"}, "code": {"name": "LAMMPS", "version": "5Mar12"}, "archive-name": "01f-T1025K_7.5keV_data.tar.gz", "archive_filesize": 34267893, "number-of-simulations": 20, "comments": "run PKA_id\r\n1 18052\r\n2 18053\r\n3 18092\r\n4 18093\r\n5 18132\r\n6 18133\r\n7 19652\r\n8 19653\r\n9 19692\r\n10 19693\r\n11 19732\r\n12 19733\r\n13 21252\r\n14 21253\r\n15 21292\r\n16 21293\r\n17 21332\r\n18 21333\r\n19 22852\r\n20 22853"}