Finite-Temperature Multiscale Simulations for 3D Nanoscale Contacts

Article Preview

Abstract:

A finite-temperature analysis of a multiscale model, which couples finite element and molecular dynamics, is presented in this paper. The model is evaluated by the patch test and demonstrates its capacity. Then, the multiscale scheme is used to study 3D nanoscale contacts. The linear relationship between the contact area ratio and load is observed at small loads, but the temperature effect is small. However, the change in the root mean square (RMS) of heights depends on the temperature at high loads.

You might also be interested in these eBooks

Info:

Periodical:

Pages:

288-293

Citation:

Online since:

July 2016

Export:

Price:

Permissions CCC:

Permissions PLS:

Сopyright:

© 2016 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

* - Corresponding Author

[1] B. Shiari, R.E. Miller, D.D. Klug, Multiscale Simulation of Material Removal Processes at the Nanoscale, J Mech Phys Solids. 55 (2007) 2384-2405.

DOI: 10.1016/j.jmps.2007.03.018

Google Scholar

[2] P. Spijker, G. Anciaux, J. -F. Molinari, The Effect of Loading on Surface Roughness at the Atomistic Level, Comput Mech. 50 (2012) 273-283.

DOI: 10.1007/s00466-011-0574-9

Google Scholar

[3] T.D. Ta, A.K. Tieu, H. Zhu, B. Kosasih, Adsorption of Normal-Alkanes on Fe(110), Feo(110), and Fe2o3(0001): Influence of Iron Oxide Surfaces, The Journal of Physical Chemistry C. 119 (2015) 12999-13010.

DOI: 10.1021/acs.jpcc.5b01847

Google Scholar

[4] X. Zheng, H. Zhu, A. Kiet Tieu, B. Kosasih, A Molecular Dynamics Simulation of 3d Rough Lubricated Contact, Tribology International. 67 (2013) 217-221.

DOI: 10.1016/j.triboint.2013.07.015

Google Scholar

[5] X. Zheng, H. Zhu, A.K. Tieu, B. Kosasih, Roughness and Lubricant Effect on 3d Atomic Asperity Contact, Tribol Lett. 53 (2013) 215-223.

DOI: 10.1007/s11249-013-0259-y

Google Scholar

[6] H.T. Zhu, X. Zheng, P.B. Kosasih, A.K. Tieu, Tribo-Surface Charge and Polar Lubricant Molecules on Friction and Lubrication under Multiple 3d Asperity Contacts, Wear. 332-333 (2015) 1248-1255.

DOI: 10.1016/j.wear.2015.02.045

Google Scholar

[7] G. Anciaux, S.B. Ramisetti, J.F. Molinari, A Finite Temperature Bridging Domain Method for Md-Fe Coupling and Application to a Contact Problem, Comput Method Appl M. 205-208 (2012) 204-212.

DOI: 10.1016/j.cma.2011.01.012

Google Scholar

[8] S. Qu, V. Shastry, W.A. Curtin, R.E. Miller, A Finite-Temperature Dynamic Coupled Atomistic/Discrete Dislocation Method, Model Simul Mater Sc. 13 (2005) 1101-1118.

DOI: 10.1088/0965-0393/13/7/007

Google Scholar

[9] S.B. Ramisetti, G. Anciaux, J.F. Molinari, A Concurrent Atomistic and Continuum Coupling Method with Applications to Thermo-Mechanical Problems, Int J Numer Meth Eng. 97 (2014) 707-738.

DOI: 10.1002/nme.4606

Google Scholar

[10] B.Q. Luan, S. Hyun, J.F. Molinari, N. Bernstein, M.O. Robbins, Multiscale Modeling of Two-Dimensional Contacts, Phys Rev E. 74 (2006) 046710.

DOI: 10.1103/physreve.74.046710

Google Scholar

[11] R.E. Miller, E.B. Tadmor, A Unified Framework and Performance Benchmark of Fourteen Multiscale Atomistic/Continuum Coupling Methods, Model Simul Mater Sc. 17 (2009) 053001.

DOI: 10.1088/0965-0393/17/5/053001

Google Scholar

[12] R. Tong, G. Liu, T. Liu, Multiscale Analysis on Two Dimensional Nanoscale Sliding Contacts of Textured Surfaces, Journal of Tribology. 133 (2011) 041401.

DOI: 10.1115/1.4004759

Google Scholar

[13] G. Michal, C. Lu, A. Kiet Tieu, Multiscale Model of Elastic Nanocontacts, COMP MATER SCI. 81 (2014) 98-103.

DOI: 10.1016/j.commatsci.2013.06.053

Google Scholar

[14] Y. Mishin, M.J. Mehl, D.A. Papaconstantopoulos, A.F. Voter, J.D. Kress, Structural Stability and Lattice Defects in Copper: Ab Initio, Tight-Binding, and Embedded-Atom Calculations, Phys Rev B. 63 (2001).

DOI: 10.1103/physrevb.63.224106

Google Scholar

[15] H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, J.R. Haak, Molecular Dynamics with Coupling to an External Bath, The Journal of Chemical Physics. 81 (1984) 3684-3690.

DOI: 10.1063/1.448118

Google Scholar

[16] A. Stukowski, Visualization and Analysis of Atomistic Simulation Data with Ovito–the Open Visualization Tool, Model Simul Mater Sc. 18 (2010) 015012.

DOI: 10.1088/0965-0393/18/1/015012

Google Scholar

[17] R.F. Voss, Fundamental Algorithms in Computer Graphics. Springr-Verlag, Berlin. (1985).

Google Scholar

[18] B. Luan, M. Robbins, Hybrid Atomistic/Continuum Study of Contact and Friction between Rough Solids, Tribol Lett. 36 (2009) 1-16.

DOI: 10.1007/s11249-009-9453-3

Google Scholar

[19] S. Cheng, M. Robbins, Defining Contact at the Atomic Scale, Tribol Lett. 39 (2010) 329-348.

DOI: 10.1007/s11249-010-9682-5

Google Scholar