Influence of Temperature on the Inverse Hall–Petch Effect in Nanocrystalline Materials: Phase Field Crystal Simulation

doi:10.1007/s40195-014-0027-5

Abstract

Abstract:

The influence of temperature on the inverse Hall–Petch effect in nanocrystalline (NC) materials is investigated using phase field crystal simulation method. Simulated results indicate that the inverse Hall–Petch effect in NC materials becomes weakened at low temperature. The results also show that the change in microscopic deformation mechanism with temperature variation is the main reason for the weakening of the inverse Hall–Petch effect. At elevated temperature, grain rotation and grain boundary (GB) migration seriously reduce the yield stress so that the NC materials exhibit the inverse Hall–Petch effect. However, at low temperature, both grain rotation and GB migration occur with great difficulty, instead, the dislocations nucleated from the cusp of serrated GBs become active. The lack of grain rotation and GB migration during deformation is mainly responsible for the weakening of the inverse Hall–Petch effect. Furthermore, it is found that since small grain size is favorable for GB migration, the degree of weakening decreases with decreasing average grain size at low temperature.

Key words: Phase field crystal (PFC), Nanocrystalline (NC) material, Temperature, Microscopic deformation mechanism, Inverse Hall–Petch effect

Yulong Zhao, Zheng Chen, Jian Long, Tao Yang. Influence of Temperature on the Inverse Hall–Petch Effect in Nanocrystalline Materials: Phase Field Crystal Simulation[J]. Acta Metallurgica Sinica (English Letters), 2014, 27(1): 81-86.

Figures/Tables 8

Fig. 1 Two-dimensional phase diagram obtained by using one-mode approximation (hatched areas in the figure correspond to two-phase regions) [12]

Table 1 NC structures overview

Number	Simulation size (?x)	Number of grains	Average grain size Cu example(nm)
1	1032 × 1032	16	11.61
2	1032 × 1032	12	13.41
3	1032 × 1032	6	18.96
3	1560 × 1560	12	20.26
5	1560 × 1560	9	23.40
6	2088 × 2088	12	27.12

Fig. 2 Variation of yield stress as a function of inverse mean square root grain size

Fig. 3 Stress–strain curves of NC structures with different grain sizes under tension loading: ar = -0.5; br = -0.25

Fig. 4 Deformation process of NC structure with average grain size of 11.61 nm and r = -0.25: aε = 0; bε = 0.0390; cε = 0.0780; dε = 0.1170

Fig. 5 Deformation process of NC structure with average grain size of 11.61 nm and r = -0.5: aε = 0; bε = 0.0390; cε = 0.0780; dε = 0.1170

Fig. 6 Deformation process of NC structure with average grain size of 18.96 nm and r = -0.25: aε = 0; bε = 0.0390; cε = 0.0780; dε = 0.1170

Fig. 7 Deformation process of NC structure with average grain size of 18.96 nm and r = -0.5: aε = 0; bε = 0.0390; cε = 0.0780; dε = 0.1170

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