Simulations of nanoindentation in single crystals are performed using a finite temperature coupled atomistic/continuum discrete dislocation (CADD) method. This computational method for multiscale modeling of plasticity has the ability of treating dislocations as either atomistic or continuum entities within a single computational framework. The finite-temperature approach here inserts a Nose-Hoover thermostat to control the instantaneous fluctuations of temperature inside the atomistic region during the indentation process. The method of thermostatting the atomistic region has a significant role on mitigating the reflected waves from the atomistic/continuum boundary and preventing the region beneath the indenter from overheating. The method captures, at the same time, the atomistic mechanisms and the long-range dislocation effects without the computational cost of full atomistic simulations. The effects of several process variables are investigated, including system temperature and rate of indentation. Results and the deformation mechanisms that occur during a series of indentation simulations are discussed.
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e-mail: behrouz.shiari@nrc-cnrc.gc.ca
e-mail: rmiller@mae.carleton.ca
e-mail: william̱curtin@brown.edu
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October 2005
Special Section On Nanomaterials And Nanomechanics
Coupled Atomistic/Discrete Dislocation Simulations of Nanoindentation at Finite Temperature
Behrouz Shiari,
Behrouz Shiari
(613) 990 0981
(613) 947 2838
Steacie Institute for Molecular Sciences,
e-mail: behrouz.shiari@nrc-cnrc.gc.ca
National Research Council of Canada
, 100 Sussex Drive, Ottawa, ON, Canada K1A 0R6
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Ronald E. Miller,
Ronald E. Miller
(613) 520 2600 ext: 5703
(613) 520 5715
Department of Mechanical and Aerospace Engineering,
e-mail: rmiller@mae.carleton.ca
Carleton University
, 1125 Colonel By Drive, Ottawa, ON, Canada K1S 5B6
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William A. Curtin
William A. Curtin
(416) 863 1418
Division of Engineering, Box D,
e-mail: william̱curtin@brown.edu
Brown University
, Providence RI, 02912
Search for other works by this author on:
Behrouz Shiari
(613) 990 0981
(613) 947 2838
Steacie Institute for Molecular Sciences,
National Research Council of Canada
, 100 Sussex Drive, Ottawa, ON, Canada K1A 0R6e-mail: behrouz.shiari@nrc-cnrc.gc.ca
Ronald E. Miller
(613) 520 2600 ext: 5703
(613) 520 5715
Department of Mechanical and Aerospace Engineering,
Carleton University
, 1125 Colonel By Drive, Ottawa, ON, Canada K1S 5B6e-mail: rmiller@mae.carleton.ca
William A. Curtin
(416) 863 1418
Division of Engineering, Box D,
Brown University
, Providence RI, 02912e-mail: william̱curtin@brown.edu
J. Eng. Mater. Technol. Oct 2005, 127(4): 358-368 (11 pages)
Published Online: January 25, 2005
Article history
Received:
December 7, 2004
Revised:
January 25, 2005
Citation
Shiari, B., Miller, R. E., and Curtin, W. A. (January 25, 2005). "Coupled Atomistic/Discrete Dislocation Simulations of Nanoindentation at Finite Temperature." ASME. J. Eng. Mater. Technol. October 2005; 127(4): 358–368. https://doi.org/10.1115/1.1924561
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