title: Atomically informed nonlocal semi-discrete variational Peierls-Nabarro model for planar core dislocations.
abstract: Prediction of Peierls stress associated with dislocation glide is of fundamental concern in understanding and designing the plasticity and mechanical properties of crystalline materials. Here, we develop a nonlocal semi-discrete variational Peierls-Nabarro (SVPN) model by incorporating the nonlocal atomic interactions into the semi-discrete variational Peierls framework. The nonlocal kernel is simplified by limiting the nonlocal atomic interaction in the nearest neighbor region, and the nonlocal coefficient is directly computed from the dislocation core structure. Our model is capable of accurately predicting the displacement profile, and the Peierls stress, of planar-extended core dislocations in face-centered cubic structures. Our model could be extended to study more complicated planar-extended core dislocations, such as <110> {111} dislocations in Al-based and Ti-based intermetallic compounds.
authors.affiliation: State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China.
authors.forename: Guisen
authors.initials: G
authors.lastname: Liu
authors.affiliation: State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China.|Department of Mechanical Engineering, Stanford University, CA94305, USA.
authors.forename: Xi
authors.initials: X
authors.lastname: Cheng
authors.affiliation: Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, NE68588, USA.
authors.forename: Jian
authors.initials: J
authors.lastname: Wang
authors.affiliation: Center for Compression Science, China Academy of Engineering Physics, Mianyang, 621900, China.
authors.forename: Kaiguo
authors.initials: K
authors.lastname: Chen
authors.affiliation: State Key Lab of Metal Matrix Composites, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China.
authors.forename: Yao
authors.initials: Y
authors.lastname: Shen