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Effect of void defect on c-axis deformation of single-crystal Ti under uniaxial stress conditions: Evolution of tension twinning and dislocations

Published online by Cambridge University Press:  02 October 2019

Yuming Qi ,
Xiuhua Chen  and
Miaolin Feng
Yuming Qi
Affiliation:
Department of Engineering Mechanics, State Key Laboratory of Ocean Engineering, School of Naval Architecture, Ocean and Civil Engineering, Shanghai 200240, People’s Republic of China
Xiuhua Chen
Affiliation:
School of Aeronautics & Astronautics, Shanghai Jiao Tong University, Shanghai 200240, People’s Republic of China
Miaolin Feng*
Affiliation:
Department of Engineering Mechanics, State Key Laboratory of Ocean Engineering, School of Naval Architecture, Ocean and Civil Engineering, Shanghai 200240, People’s Republic of China
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

Deformation twins have a major role in the microstructure evolution of hexagonal close packed (HCP) metals. Voids are common defects in metals and have a significant impact on their properties. In this work, using molecular dynamics, a tension simulation of single-crystal titanium (Ti) with different void sizes under uniaxial stress conditions was performed. The results showed that the evolution and dominance of the $\left\{ {10\bar{1}2} \right\}$ twin system using the Henning potential was not consistent with the Schmid criterion when the single-crystal Ti contained void defects. From a microscopic perspective, the authors analyzed the relationship between the nucleation and growth of twins and the emission of dislocation loops. The authors found that the existence of voids not only contributes to the emission of dislocation loops but also hinders the movement of these loops. With the increase in void size, the peak dislocation density of ${1 \over 3}\left\langle {\bar{1}100} \right\rangle$ partial dislocation loops decreased. This work is helpful to further investigate the nucleation and evolution of tension twins and to form an effective growth criterion for twins to study the twinning process of HCP metals during plastic deformation.

Keywords

tension twinningdislocation loops emissiontwin variantsvoid defectsSchmid factor
Type
Article
Information
Journal of Materials Research , Volume 34 , Issue 21 , 14 November 2019 , pp. 3699 - 3706
Copyright
Copyright © Materials Research Society 2019 

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References

Donachie, M.J.: Titanium: A Technical Guide, 2nd ed. (ASM International, Materials Park, Ohio, 2000).Google Scholar
Leyens, C. and Peters, M.: Titanium and Titanium Alloys: Fundamentals and Applications (Wiley-VCH Verlag GmbH & Co., 2003). IBSN: 3-527-30534-3.CrossRefGoogle Scholar
Niinomi, M.: Mechanical properties of biomedical titanium alloys. Mater. Sci. Eng. A 243, 231 (1998).CrossRefGoogle Scholar
Conrad, H.: Effect of interstitial solutes on the strength and ductility of titanium. Prog. Mater. Sci. 26, 123 (1981).CrossRefGoogle Scholar
Partridge, P.G.: The crystallography and deformation modes of hexagonal close-packed metals. Metall. Rev. 12, 169 (1967).Google Scholar
Kim, I., Kim, J., Shin, D., Liao, X., and Zhu, Y.: Deformation twins in pure titanium processed by equal channel angular pressing. Scr. Mater. 48, 813 (2003).CrossRefGoogle Scholar
Xiao, L.: Twinning behavior in the Ti–5 at.% Al single crystals during cyclic loading along [0001]. Mater. Sci. Eng. A 394, 168 (2005).CrossRefGoogle Scholar
Yoo, M.: Twinning and mechanical behavior of titanium aluminides and other intermetallics. Intermetallics 6, 597 (1998).CrossRefGoogle Scholar
Christian, J.W. and Mahajan, S.: Deformation twinning. Prog. Mater. Sci. 39, 1 (1995).CrossRefGoogle Scholar
Rawat, S. and Mitra, N.: Molecular dynamics investigation of c-axis deformation of single crystal Ti under uniaxial stress conditions: Evolution of compression twinning and dislocations. Comput. Mater. Sci. 141, 19 (2018).CrossRefGoogle Scholar
Barrett, C., Tschopp, M., and El Kadiri, H.: Automated analysis of twins in hexagonal close-packed metals using molecular dynamics. Scr. Mater. 66, 666 (2012).CrossRefGoogle Scholar
Lainé, S.J. and Knowles, K.M.: .$\left\{ {11\bar{2}4} \right\}$ deformation twinning in commercial purity titanium at room temperature. Philos. Mag. 95, 2153 (2015).CrossRefGoogle Scholar
Zhang, J. and Joshi, S.P.: Phenomenological crystal plasticity modeling and detailed micromechanical investigations of pure magnesium. J. Mech. Phys. Solids 60, 945 (2012).CrossRefGoogle Scholar
Askeland, D.R. and Phule, P.P.: The Science and Engineering of Materials (Springer, 2003). IBSN: 978-94-009-1842-9.Google Scholar
Needleman, A.: Void growth in an elastic-plastic medium. J. Appl. Mech. 39, 964 (1972).CrossRefGoogle Scholar
Koplik, J. and Needleman, A.: Void growth and coalescence in porous plastic solids. Int. J. Solids Struct. 24, 835 (1988).CrossRefGoogle Scholar
Sung, P-H. and Chen, T-C.: Studies of crack growth and propagation of single-crystal nickel by molecular dynamics. Comput. Mater. Sci. 102, 151 (2015).CrossRefGoogle Scholar
Zhao, K., Chen, C., Shen, Y., and Lu, T.: Molecular dynamics study on the nano-void growth in face-centered cubic single crystal copper. Comput. Mater. Sci. 46, 749 (2009).CrossRefGoogle Scholar
Tang, T., Kim, S., and Horstemeyer, M.: Molecular dynamics simulations of void growth and coalescence in single crystal magnesium. Acta Mater. 58, 4742 (2010).CrossRefGoogle Scholar
Aghababaei, R. and Joshi, S.P.: Micromechanics of tensile twinning in magnesium gleaned from molecular dynamics simulations. Acta Mater. 69, 326 (2014).CrossRefGoogle Scholar
Rawat, S. and Joshi, S.P.: Effect of multiaxial loading on evolution of $\left\{ {101\bar{2}} \right\}$ twinning in magnesium single crystals. Mater. Sci. Eng., A 659, 256 (2016).Google Scholar
Liu, Y., Li, N., Shao, S., Gong, M., Wang, J., McCabe, R., Jiang, Y., and Tomé, C.: Characterizing the boundary lateral to the shear direction of deformation twins in magnesium. Nat. Commun. 7, 11577 (2016).Google Scholar
Yang, Z., Zhang, G., and Zhao, J.: Molecular dynamics simulations of void effect of the copper nanocubes under triaxial tensions. Phys. Lett. A 380, 917 (2016).CrossRefGoogle Scholar
Rawat, S. and Mitra, N.: Evolution of tension twinning in single crystal Ti under compressive uniaxial strain conditions. Comput. Mater. Sci. 141, 302 (2018).CrossRefGoogle Scholar
Bao, L., Schuman, C., Lecomte, J.S., Philippe, M.J., Zhao, X., and Esling, C.: A study of twin variant selection and twin growth in titanium. Adv. Eng. Mater. 13, 928 (2011).CrossRefGoogle Scholar
Godet, S., Jiang, L., Luo, A., and Jonas, J.: Use of Schmid factors to select extension twin variants in extruded magnesium alloy tubes. Scr. Mater. 55, 1055 (2006).CrossRefGoogle Scholar
Honeycutt, J.D. and Andersen, H.C.: Molecular dynamics study of melting and freezing of small Lennard-Jones clusters. J. Phys. Chem. 91, 4950 (1987).CrossRefGoogle Scholar
Lubarda, V., Schneider, M., Kalantar, D., Remington, B., and Meyers, M.: Void growth by dislocation emission. Acta Mater. 52, 1397 (2004).CrossRefGoogle Scholar
Ohashi, T.: Crystal plasticity analysis of dislocation emission from micro voids. Int. J. Plast. 21, 2071 (2005).CrossRefGoogle Scholar
Traiviratana, S., Bringa, E.M., Benson, D.J., and Meyers, M.A.: Void growth in metals: Atomistic calculations. Acta Mater. 56, 3874 (2008).CrossRefGoogle Scholar
Cottrell, A.H. and Bilby, B.: Dislocation theory of yielding and strain ageing of iron. Proc. Phys. Soc. Sect. A 62, 49 (1949).CrossRefGoogle Scholar
Cottrell, A. and Bilby, B.: L.X. A mechanism for the growth of deformation twins in crystals. London, Edinburgh Dublin Philos. Mag. J. Sci. 42, 573 (1951).CrossRefGoogle Scholar
Hennig, R., Lenosky, T., Trinkle, D., Rudin, S., and Wilkins, J.: Classical potential describes martensitic phase transformations between the α, β, and ω titanium phases. Phys. Rev. B 78, 054121 (2008).CrossRefGoogle Scholar
Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1 (1995).CrossRefGoogle Scholar
Martys, N.S. and Mountain, R.D.: Velocity Verlet algorithm for dissipative-particle-dynamics-based models of suspensions. Phys. Rev. E 59, 3733 (1999).CrossRefGoogle Scholar
Evans, D.J. and Holian, B.L.: The Nose–Hoover thermostat. J. Chem. Phys. 83, 4069 (1985).CrossRefGoogle Scholar
Stukowski, A., Bulatov, V.V., and Arsenlis, A.: Automated identification and indexing of dislocations in crystal interfaces. Modell. Simul. Mater. Sci. Eng. 20, 085007 (2012).CrossRefGoogle Scholar
Stukowski, A.: Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool. Modell. Simul. Mater. Sci. Eng. 18, 015012 (2009).CrossRefGoogle Scholar
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