A SIMULATION STUDY OF MECHANICAL PROPER-TIES OF METAL Ti SAMPLE WITH DEFECTS

doi:10.11900/0412.1961.2014.00336

Acta Metall Sin

2015, Vol. 51

Issue (1): 107-113 DOI: 10.11900/0412.1961.2014.00336

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A SIMULATION STUDY OF MECHANICAL PROPER-TIES OF METAL Ti SAMPLE WITH DEFECTS

LIANG Li, MA Mingwang(

), TAN Xiaohua, XIANG Wei, WANG Yuan, CHENG Yanlin

China Academy of Engineering Physics, Mianyang 621999

Cite this article:

LIANG Li, MA Mingwang, TAN Xiaohua, XIANG Wei, WANG Yuan, CHENG Yanlin. A SIMULATION STUDY OF MECHANICAL PROPER-TIES OF METAL Ti SAMPLE WITH DEFECTS. Acta Metall Sin, 2015, 51(1): 107-113.

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Abstract

The effect of defects in metal Ti such as vacancies, self-interstitial atoms and impurity He atoms on mechanical properties of metal Ti sample was studied using molecular dynamics simulation. First, the stress-strain curves of perfect Ti sample at different strain rates were calculated. The results show that the stretching process can roughly be divided into three stages, elastic deformation, plastic deformation and fracturing. For comparison the stress-strain curves of metal Ti samples with vacancies, self-interstitial atoms and impurity He atoms were researched, respectively, in which the strain rate was set as 2×10⁹ s^-¹. Finally the corresponding Young's moduli were calculated. It is found that after carefully investigating that the mechanical properties of metal Ti are degraded by each of these effects in it and the degradation degree increases with increasing defect concentration. However, the stretching process of samples is not essentially affected by these effects (the stress-strain curves of Ti samples with defects have still 3 stages). In this process, self-interstitial atoms in samples always exist for they to be bonded by metal Ti atoms, but impurity He atoms in samples are released due to their extraordinarily low solution in metal Ti.

Key words: defect mechanical property molecular dynamics simulation

ZTFLH:

TL341

Fund: Supported by National Natural Science Foundation of China (No.51406187), Science and Technology Development Foundation of China Academy of Engineering Physics (No.2014B0401060) and Technology Innovation Foundation of Institute of Electronic Engineering, China Academy of Engineering Physics (No.S20140805)

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	Li LIANG
	Mingwang MA
	Xiaohua TAN
	Wei XIANG
	Yuan WANG
	Yanlin CHENG

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https://www.ams.org.cn/EN/10.11900/0412.1961.2014.00336 OR https://www.ams.org.cn/EN/Y2015/V51/I1/107

Fig.1 Stress-strain curves of perfect metal Ti samples at different strain rates

Table 1 Young's moduli, tensile strengths and fracture strains of perfect metal Ti samples at different strain rates

Fig.2 Stress-strain curves with different vacancy concentrations (a) and the relationship between Young's modulus and vacancy concentration (b) of metal Ti samples

Table 2 Young's moduli, tensile strengths and fracture strains of metal Ti samples with different vacancy concentrations

Fig.3 Stress-strain curves with different self-interstitial atom (SIA) concentrations (a) and the relationship between Young's modulus and SIA concentration (b) of metal Ti samples

Fig.4 Morphologies of metal Ti samples with 3.1% SIA concentration at strains of 0.05 (a), 0.10 (b), 0.30 (c) and 0.40 (d) (The orange sphere represents a lattice Ti atom, and the green sphere a SIA)

Table 3 Young's moduli, tensile strengths and fracture strains of metal Ti samples with different SIA concentrations

Fig.5 Stress-strain curves with different impurity He atom concentrations (a) and the relationship between Young's modulus and impurity He atom concentration (b) of metal Ti samples

Table 4 Young's moduli, tensile strengths and fracture strains of metal Ti samples with different impurity He atom concentrations

Fig.6 Morphologies of metal Ti samples with 3.1% impurity He atom concentration at different strains of 0.05 (a), 0.10 (b), 0.30 (c) and 0.40 (d) (The orange sphere represents a lattice Ti atom and the green sphere represents an impurity He atom)

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