J. Mater. Sci. Technol. ›› 2016, Vol. 32 ›› Issue (12): 1345-1351.DOI: 10.1016/j.jmst.2016.07.019
Special Issue: 2016-2017材料模拟与计算专辑
• Orginal Article • Previous Articles Next Articles
Mukhopadhyay T.1,*(),Mahata A.2,3,Dey S.4,Adhikari S.1
Received:
2016-02-27
Accepted:
2016-07-15
Online:
2016-12-20
Published:
2017-02-16
Contact:
Mukhopadhyay T.
Mukhopadhyay T.,Mahata A.,Dey S.,Adhikari S.. Probabilistic Analysis and Design of HCP Nanowires: An Efficient Surrogate Based Molecular Dynamics Simulation Approach[J]. J. Mater. Sci. Technol., 2016, 32(12): 1345-1351.
Serial No. | Strain rate (s-1) | Temperature (K) | Diameter (nm) | Yield stress (GPa) | Yield strain |
---|---|---|---|---|---|
1 | 8.32 × 109 | 208 | 8 | 0.9101 | 0.03727 |
2 | 5.005 × 109 | 400 | 8 | 0.6879 | 0.03705 |
3 | 1 × 1010 | 400 | 11 | 0.807 | 0.0438 |
? | |||||
21 | 5.005 × 109 | 246 | 11.2 | 0.9214 | 0.044 |
Table 1. Set of molecular dynamics simulations on hcp-Mg nanowire presenting the chosen design points through D-optimal algorithm along with corresponding yield strengths and yield strains
Serial No. | Strain rate (s-1) | Temperature (K) | Diameter (nm) | Yield stress (GPa) | Yield strain |
---|---|---|---|---|---|
1 | 8.32 × 109 | 208 | 8 | 0.9101 | 0.03727 |
2 | 5.005 × 109 | 400 | 8 | 0.6879 | 0.03705 |
3 | 1 × 1010 | 400 | 11 | 0.807 | 0.0438 |
? | |||||
21 | 5.005 × 109 | 246 | 11.2 | 0.9214 | 0.044 |
Fig. 2. (a) Slip planes corresponding to the stress-strain curve shown in (b). The green color of atoms denotes the Mg-atoms and the empty planes signify the slip planes in cylindrical nanowires. (b) A typical stress-strain plot showing different stages (I, II, III, IV) during the formation of slip planes in Magnesium Nanowire under uniaxial tension.
Fig. 3. Surrogate model validation plot showing actual MD simulation results vs. surrogate model results considering multiple points for yield strength.
Fig. 4. (a) Sensitivity analysis results for yield strength of HCP nanowire including interaction effects, (b) relative coefficient of variation for different controlling factors.
Fig. 6. (a) Variation of yield strength with size at different temperatures, (b) variation of yield strength with size at different strain rates (SR).
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