Pair vs many-body potentials: influence on elastic and plastic behavior in nanoindentation of fcc metals

DOI10.1016/J.JMPS.2009.05.011zbMATH Open1320.74012arXiv0810.1713OpenAlexW1977513832MaRDI QIDQ985225FDOQ985225

Authors: Gerolf Ziegenhain, Alexander Hartmaier, Herbert M. Urbassek 

Publication date: 20 July 2010

Published in: Journal of the Mechanics and Physics of Solids (Search for Journal in Brave)

Abstract: Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate how realistic the interatomic potentials underlying the simulations have to be in order to describe these complex processes. Specifically we investigate nanoindentation into a Cu single crystal. We compare simulations based on a realistic many-body interaction potential of the embedded-atom-method type with two simple pair potentials, a Lennard-Jones and a Morse potential. We find that qualitatively many aspects of nanoindentation are fairly well reproduced by the simple pair potentials: elastic regime, critical stress and indentation depth for yielding, dependence on the crystal orientation, and even the level of the hardness. The quantitative deficits of the pair potential predictions can be traced back (i) to the fact that the pair potentials are unable in principle to model the elastic anisotropy of cubic crystals; (ii) as the major drawback of pair potentials we identify the gross underestimation of the stable stacking fault energy. As a consequence these potentials predict the formation of too large dislocation loops, the too rapid expansion of partials, too little cross slip and in consequence a severe overestimation of work hardening.

Full work available at URL: https://arxiv.org/abs/0810.1713

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zbMATH Keywords

elasticityhardnessplasticitymolecular dynamicsnanoindentation

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Statistical mechanics of nanostructures and nanoparticles (82D80)

Cites Work

• Contact Mechanics
• Indentation size effects in crystalline materials: a law for strain gradient plasticity
• Introduction to contact mechanics
• Influence of single crystal orientation on homogeneous dislocation nucleation under uniaxial loading
• Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper
• Atomic plasticity: description and analysis of a one-billion atom simulation of ductile materials failure
• Simulating nanoindentation and predicting dislocation nucleation using interatomic potential finite element method
• The dynamical complexity of work-hardening: a large-scale molecular dynamics simulation
• On the cubic and hexagonal close-packed lattices
• Title not available (Why is that?)

Cited In (3)

• Nanocontact between BCC tungsten and FCC nickel using the quasicontinuum method
• Supersonic voidions in 2D Morse lattice
• An adhesion study in Ni and Cu nanocontacts from a molecular dynamics perspective

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