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Molecular statics simulation of nanoindentation on nanocrystalline copper

Toby D. Young ¹, Marcin Maździarz ¹, Paweł Dłużewski ¹, Piotr Traczykowski ¹, Krzysztof J. Kurzydlowski ², Tomasz Wejrzanowski ^2,3

1. Polish Academy of Sciences, Institute of Fundamental Technological Research (IPPT PAN), Świętokrzyska 21, Warszawa 00-049, Poland
2. Warsaw University of Technology, Faculty of Materials Science and Engineering (InMat), Wołoska 141, Warszawa 02-507, Poland
3. Interdisciplinary Centre for Materials Modelling (ICMM), Woloska 141, Warszawa 02-507, Poland

Abstract

We present here a ‘multiscale’ model of nanoindentation of nanocrystalline copper operating on the micro-macro scale in the sense that the volume subjected to large forces (i.e. that directly under the nanoindenter) is represented by classical microscopic theory, whereas the more distant volume subjected to smaller residual forces is represented by a classical macroscopic theory [4]. In particular, by allowing the volume directly subjected to external forces to be governed by an interatomic potential the rearrangement of atomic bonds with the onset of plastic deformation may be observed. To complement this, the physical properties of the continuous region surrounding the atomic part are governed by elasticity theory in order to study the long-range effect of the nanoindentation process. The interaction between atoms is based on the empirical tight binding second moment approximation [1] suitable for systems involving dislocated sharing of free electrons, vis-à-vis copper. Since the behaviour of materials under compression and extension is known to be anharmonic, the surrounding continuum is governed by a nonlinear theory of elasticity. In our case the Hencky strain measure [2] is utilised (although alternative measures, namely Green and Biot, are also considered) [3]. Our multiscale model is therefore a quasistatic approach where contributions from kinetic energy terms have been ignored. This approximation is valid in the adiabatic limit where the process of indentation itself occurs within a short time.

Acknowledgements: This research was funded by the European Commission PARSEM project MRTN-CT-2004-005583.

REFERENCES

[1] D. Tom´anek et al., Phys.Rev.B, 32, 505 (1985)[2] L. Anand, J. Appl. Mech, Trans. ASME, 46, 78 (1979)[3] P. Dłużewski, J. Elasticity, 60, 119 (2000)[4] P. Dłużewski et al., CAMES, (2008)

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Molecular statics simulation of nanoindentation on nanocrystalline copper

Presentation: Oral at E-MRS Fall Meeting 2008, Symposium K, by Toby D. Young See On-line Journal of E-MRS Fall Meeting 2008 Submitted: 2008-05-28 12:48 Revised: 2009-06-07 00:48

Presentation: Oral at E-MRS Fall Meeting 2008, Symposium K, by Toby D. Young
See On-line Journal of E-MRS Fall Meeting 2008

Submitted: 2008-05-28 12:48 Revised: 2009-06-07 00:48