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Atomistic simulations are used to describe the ½ screw dislocation in tungsten. Two different embedded atom model (EAM) potentials and one bond-order potential (BOP) are compared. A new analytical approach for constructing asymmetrical screw dislocations is presented.
Berend Smit, Emad Oveisi, Wendy Lee Queen, Pascal Alexander Schouwink, Christopher Patrick Ireland, Andres Adolfo Ortega Guerrero, Jordi Espin Marti, Elias Moubarak, Fatma Pelin Uran, Nency Patricio Domingues, Miriam Jasmin Pougin, Yutao Li
Nicola Marzari, Marnik Bercx, Carl Simon Adorf