|Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni|
|Z. G. Liu; C. Y. Wang; T. Yu
|Source Publication||Computational Materials Science
|Abstract||The influence of Re on the lattice trapping and fracture stress of the five orientation cracks in Ni was investigated using the molecular dynamics (MD) method, with a Ni-Al-Re embedded-atom-method potential. The MD simulations showed that the range (S) of lattice trapping for different crack orientations was small, regardless of the addition of Re. With the addition of 3 at.% or 6 at.% Re, the lower and upper trapping limits (K-IC(+/-)) increased noticeably and exceeded the theoretical Griffith load. This means that Re-Ni interatomic interactions can prevent the breaking of atomic bonds and can heal cracks. With the addition of Re, the largest and smallest fracture stresses occurred in the (010) and (100) crack systems, respectively. The MD simulations also showed that in dilute and concentrated Ni (Re) solid solutions, the ranges (R) over which Re atoms restrained the jumps in the bond lengths of atom pairs in neighbouring regions were different. R was proportional to K-IC(+/-). In addition, kinks in crack fronts were found not to affect S and R. (C) 2013 Elsevier B. V. All rights reserved.|
; wang, chong-yu
; yu, tao] cent iron & steel res inst, beijing 100081, peoples r china. [wang, chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang, chong-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china. [liu, zheng-guang] north univ china, dept phys, taiyuan 030051, peoples r china.
; wang, cy (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china.
Ni (Re) Solid Solution
Z. G. Liu,C. Y. Wang,T. Yu. Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni[J]. Computational Materials Science,2014,83:196-206.
Z. G. Liu,C. Y. Wang,&T. Yu.(2014).Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni.Computational Materials Science,83,196-206.
Z. G. Liu,et al."Molecular dynamics simulations of influence of Re on lattice trapping and fracture stress of cracks in Ni".Computational Materials Science 83(2014):196-206.
|Files in This Item:||
||There are no files associated with this item.
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.