Peer review report 5 on “Computational modeling and simulation of spall fracture in polycrystalline solids by an atomistic-based interfacial zone model”

Peer review report 5 on “Computational modeling and simulation of spall fracture in polycrystalline solids by an atomistic-based interfacial zone model”

Engineering Fracture Mechanics 133 Supplement 1 (2015) 97 Contents lists available at ScienceDirect Engineering Fracture Mechanics journal homepage:...

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Engineering Fracture Mechanics 133 Supplement 1 (2015) 97

Contents lists available at ScienceDirect

Engineering Fracture Mechanics journal homepage: www.elsevier.com/locate/engfracmech

Peer Review Report

Peer review report 5 on ‘‘Computational modeling and simulation of spall fracture in polycrystalline solids by an atomistic-based interfacial zone model’’ Original Submission Recommendation Publish Comments to the author This paper studies the spall fracture of polycrystalline materials with an atomistic-based interfacial zone model developed by the one of the authors. The numerical model can simulate the intergranular and transgranular fracture mode transition. Generally speaking, this is a very powerful and novel numerical scheme. The authors get some interesting results in the simulations such as the influence of the potential energy and grain size on the fracture mode. The paper is well written and can be accepted for publication in EFM. After saying that, I would also like to mention the following points concerning some of the simulation details, (1) The authors used the Cauchy-Born rule to derive the bulk constitutive equation and interface constitutive equation in the same framework. It should be mentioned that physically, the arrangement of the atoms around the grain boundaries is regular in the undeformed state. The authors should carefully think about the accuracy of the method to simulate the fracture along the grain boundaries. (2) The fracture of crystals involve many complex physical mechanisms such as dislocation activity, cavity nucleation and growth, etc. The authors should carefully think about if the so called ‘atomistic-based interfacial zone model’ is really advantageous to include these complex mechanisms. Anonymous reviewer

DOI of published article: http://dx.doi.org/10.1016/j.engfracmech.2015.05.039

http://dx.doi.org/10.1016/j.engfracmech.2015.05.049