The deformation modes in magnesium nanocrystals during uniaxial tension, uniaxial compression, and pure bending are investigated using molecular dynamics (MD) simulations at room temperature. For each loading condition, the crystal orientation effects are studied by increasing the crystal c-axis orientation angle θ relative to the loading direction from 0 deg to 90 deg by a 15 deg increment. The simulation results reveal a number of different deformation modes and an obvious tension–compression asymmetry in magnesium nanocrystals. As the c-axis is rotated away from the tension loading direction, the deformation mode at yielding changes from tension twinning (θ ≤ 45 deg) to compression twinning (θ > 45 deg). For compression loading, yielding is dominated by only dislocation slip on the pyramidal (θ < 15 deg), basal (15 deg < θ < 60 deg) and prismatic (θ > 60 deg) planes. The nucleation stress in general decreases with increasing θ for both uniaxial tension and uniaxial compression loadings. For pure bending simulations, the yielding is mostly controlled by the weaker deformation mode between the compressive and tensile sides. The bending nucleation stress also decreases as the c-axis deviates away from the loading direction.
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October 2015
Research-Article
Molecular Dynamics Simulations of Orientation Effects During Tension, Compression, and Bending Deformations of Magnesium Nanocrystals
Haidong Fan,
Haidong Fan
1
Department of Mechanical Engineering,
Johns Hopkins University
,Baltimore, MD 21218
Department of Mechanics,
e-mail: haidongfan8@foxmail.com
Sichuan University
,Chengdu, Sichuan 610065
, China
e-mail: haidongfan8@foxmail.com
1Corresponding author.
Search for other works by this author on:
Jaafar A. El-Awady
Jaafar A. El-Awady
Department of Mechanical Engineering,
e-mail: jelawady@jhu.edu
Johns Hopkins University
,Baltimore, MD 21218
e-mail: jelawady@jhu.edu
Search for other works by this author on:
Haidong Fan
Department of Mechanical Engineering,
Johns Hopkins University
,Baltimore, MD 21218
Department of Mechanics,
e-mail: haidongfan8@foxmail.com
Sichuan University
,Chengdu, Sichuan 610065
, China
e-mail: haidongfan8@foxmail.com
Jaafar A. El-Awady
Department of Mechanical Engineering,
e-mail: jelawady@jhu.edu
Johns Hopkins University
,Baltimore, MD 21218
e-mail: jelawady@jhu.edu
1Corresponding author.
Contributed by the Applied Mechanics Division of ASME for publication in the JOURNAL OF APPLIED MECHANICS. Manuscript received May 30, 2015; final manuscript received June 25, 2015; published online July 14, 2015. Assoc. Editor: Harold S. Park.
J. Appl. Mech. Oct 2015, 82(10): 101006 (11 pages)
Published Online: October 1, 2015
Article history
Received:
May 30, 2015
Revision Received:
June 25, 2015
Online:
July 14, 2015
Citation
Fan, H., and El-Awady, J. A. (October 1, 2015). "Molecular Dynamics Simulations of Orientation Effects During Tension, Compression, and Bending Deformations of Magnesium Nanocrystals." ASME. J. Appl. Mech. October 2015; 82(10): 101006. https://doi.org/10.1115/1.4030930
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