First-principles simulations of MgO tilt grain boundary: Structure and vacancy formation at high pressure

Verma, A. K.Karki, B. B.2019-03-122019-03-122010American Mineralogist, 2010. Vol. 95: pp. 1035-1041http://hdl.handle.net/123456789/179744903 bytestext/htmlenGrain boundariesstructurepoint defectsdiffusionfirst-principles calculationsFirst-principles simulations of MgO tilt grain boundary: Structure and vacancy formation at high pressureArticle