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

DOI10.1016/J.JMPS.2009.05.011MaRDI QIDQ985225zbMATH OpenOpenAlexFDO

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)

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

zbMATH Keywords

elasticityhardnessplasticitymolecular dynamicsnanoindentation

Mathematics Subject Classification ID

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

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.

Recommendations

• Computer simulations of nanoindentation on Cu (1 1 1) with a void
• Simulating nanoindentation and predicting dislocation nucleation using interatomic potential finite element method
• Orientation effects in nanoindentation of single crystal copper
• Atomistic simulations of elastic deformation and dislocation nucleation during nanoindentation.
• Nanocontact between BCC tungsten and FCC nickel using the quasicontinuum method

Cites work

• scientific article; zbMATH DE number 2242657 (Why is no real title available?)
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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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