journal article·2022-02

Comparisons in mechanical properties of various copper nanowires under torsion: molecular dynamics simulation

Zailin Yang, Minghe Li, Ying Li, Yong Yang, Xiaoyang Ding

Journal of Nanoparticle Research· Volume 24· Issue 2
Publisher page

Abstract

The torsion of classical single crystal copper, hollow single crystal copper, and single crystal copper with single crystal silver shell nanowires is simulated by molecular dynamics method. It is found that the torsion process of copper nanowires can be divided into three phases: elastic phase, plastic phase, and deforming destroying phase, in which there is a “twinning-detwinning-twinning” periodic deformation mechanism. Axial through holes will increase the instability of nanowires and weaken their ability to endure elastic deformation. Furthermore, the effect of silver shell thickness on the mechanical properties of copper silver core–shell nanowires is discussed. The results show that the increase of the shell region will lead to the expansion of the lattice imbalance region, which has a great impact on the torsional deformation of copper alloy nanowires.
Source: expertdata · Quality: candidate unverified · Source record ↗

Research context

OpenAlex topics: Microstructure and mechanical properties · Aluminum Alloys Composites Properties · Magnetic properties of thin films

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (25)

Show source-provided references
1. Cruz MA, Ye S, Kim MJ et al (2018) Multigram synthesis of Cu-Ag core–shell nanowires enables the production of a highly conductive polymer filament for 3D printing electronics. Part Part Syst Char 35(5):1700385. https://doi.org/10.1002/ppsc.20170038510.1002/ppsc.201700385 ↗
2. Fang TH, Huang CC, Chiang TC (2016) Effects of grain size and temperature on mechanical response of nanocrystalline copper. Mat Sci Eng A 671:1–6. https://doi.org/10.1016/j.msea.2016.06.04210.1016/j.msea.2016.06.042 ↗
3. Gao YJ, Wang FY, Zhu TM, Zhao JW (2010) Investigation on the mechanical behaviors of copper nanowires under torsion. Comp Mater Sci 49(4):826–830. https://doi.org/10.1016/j.commatsci.2010.06.03110.1016/j.commatsci.2010.06.031 ↗
4. Gao YJ, Wang HB, Zhao JW, Sun CQ, Wang FY (2011) Anisotropic and temperature effects on mechanical properties of copper nanowires under tensile loading. Comp Mater Sci 50(10):3032–3037. https://doi.org/10.1016/j.commatsci.2011.05.02310.1016/j.commatsci.2011.05.023 ↗
5. Hoover (1986) Constant-pressure equations of motion. Phys Rev A 34(3):2499–2500. https://doi.org/10.1103/PhysRevA.34.249910.1103/PhysRevA.34.2499 ↗
6. Jeon Y, Choi I, Kim JJ (2021) Facile electrochemical fabrication of Ag/Cu bi-metallic catalysts and the dependence of their selectivity for electrochemical CO2 reduction on the surface composition. Thin Solid Films 726138674.https://doi.org/10.1016/j.tsf.2021.13867410.1016/j.tsf.2021.138674 ↗
7. Jiang S, Zhang HW, Zheng YG, Chen Z (2009) Atomistic study of the mechanical response of copper nanowires under torsion. J Phys d: Appl Phys 42(13):135408. https://doi.org/10.1088/0022-3727/42/13/13540810.1088/0022-3727/42/13/135408 ↗
8. Jiang DH, Tsai PC, Kuo CC et al (2019) Facile preparation of Cu/Ag core-shell electrospun nanofibers as highly stable and flexible transparent conductive electrodes for optoelectronic devices. Acs Appl Mater Inter 11(10):10118–10127. https://doi.org/10.1021/acsami.8b1836610.1021/acsami.8b18366 ↗
9. Nelli D, Ferrando R (2019) Core–shell vs. multi-shell formation in nanoalloy evolution from disordered configurations. Nanoscale 11(27):13040–13050. https://doi.org/10.1039/c9nr02963j10.1039/c9nr02963j ↗
10. Panizon E, Ferrando R (2016) Strain-induced restructuring of the surface in core@shell nanoalloys. Nanoscale 8(35):15911–15919. https://doi.org/10.1039/c6nr03560d10.1039/c6nr03560d ↗
11. Qiao C, Zhou YL, Cai XL, Yu WY, Du BJ, Wang HY et al (2016) Molecular dynamics simulation studies on the plastic behaviors of an iron nanowire under torsion. RSC Adv 6(34):28792–28800. https://doi.org/10.1039/C6RA06125G10.1039/C6RA06125G ↗
12. Sarkar J (2018) Investigation of mechanical properties and deformation behavior of single-crystal Al-Cu core-shell nanowire generated using non-equilibrium molecular dynamics simulation. J Nanopart Res 20(6). https://doi.org/10.1007/s11051-018-4258-710.1007/s11051-018-4258-7 ↗
13. Sarkar J, Das DK (2018) Study of the effect of varying core diameter, shell thickness and strain velocity on the tensile properties of single crystals of Cu–Ag core–shell nanowire using molecular dynamics simulations. J Nanopart Res 20(1). https://doi.org/10.1007/s11051-017-4117-y10.1007/s11051-017-4117-y ↗
14. Sung PH, Wu CD, Fang TH (2012) Effects of temperature, loading rate and nanowire length on torsional deformation and mechanical properties of aluminium nanowires investigated using molecular dynamics simulation. J Phys D Appl Phys 45(21):215303. https://doi.org/10.1088/00223727/45/21/21530310.1088/00223727/45/21/215303 ↗
15. Tranchida J, Plimpton SJ, Thibaudeau P, Thompson AP (2018) Massively parallel symplectic algorithm for coupled magnetic spin dynamics and molecular dynamics. J Comput Phys 372:406–425. https://doi.org/10.1016/j.jcp.2018.06.04210.1016/j.jcp.2018.06.042 ↗
16. Weinberger CR, Cai W (2010a) Orientation-dependent plasticity in metal nanowires under torsion: twist boundary formation and Eshelby twist. Nano Lett 10(1):139–142. https://doi.org/10.1021/nl903041m10.1021/nl903041m ↗
17. Weinberger CR, Cai W (2010b) Plasticity of metal wires in torsion: Molecular dynamics and dislocation dynamics simulations. J Mech Phys Solids 58(7):1011–1025. https://doi.org/10.1016/j.jmps.2010.04.01010.1016/j.jmps.2010.04.010 ↗
18. Wu HH, Trinkle DR (2009) Cu/Ag EAM potential optimized for heteroepitaxial diffusion from ab initio data. Comp Mater Sci 47(2):577–583. https://doi.org/10.1016/j.commatsci.2009.09.02610.1016/j.commatsci.2009.09.026 ↗
19. Yang ZL, Zhang GW, Luo G, Sun XQ, Zhao JW (2016) Mechanical properties of gold twinned nanocubes under different triaxial tensile rates. Phys Lett A 380(34):2674–2677. https://doi.org/10.1016/j.physleta.2016.06.02010.1016/j.physleta.2016.06.020 ↗
20. Yang ZL, Yang QY, Zhang GW (2017) Poisson’s ratio and Young’s modulus in single-crystal copper nanorods under uniaxial tensile loading by molecular dynamics. Phys Lett A 381(4):280–283. https://doi.org/10.1016/j.physleta.2016.10.04410.1016/j.physleta.2016.10.044 ↗
21. Yang ZL, Li MH, Li Y et al (2021) Molecular dynamics simulation on torsion deformation of copper aluminum core–shell nanowires. J Nanopart Res 23:234. https://doi.org/10.1007/s11051-021-05344-910.1007/s11051-021-05344-9 ↗
22. Yang Y, Li Y, Yang ZL, Zhang GW, Wang XZ, Liu J (2018) Molecular dynamics simulation on the elastoplastic properties of copper nanowire under torsion. J Nanopart Res 20(2). https://doi.org/10.1007/s11051-018-4155-010.1007/s11051-018-4155-0 ↗
23. Yin Z, Chen S, Guan Y et al (2019) Copper nanowire dispersion through an electrostatic dispersion mechanism for high-performance flexible transparent conducting films and optoelectronic devices. Acs Appl Mater Inter 11(5):5264–5275. https://doi.org/10.1021/acsami.8b1927710.1021/acsami.8b19277 ↗
24. Zhang B, Li W, Jiu J et al (2019) Large-scale and galvanic replacement free synthesis of Cu@Ag core–shell nanowires for flexible electronics. Inorg Chem 58(5):74–81. https://doi.org/10.1021/acs.inorgchem.8b0346010.1021/acs.inorgchem.8b03460 ↗
25. Zhou XW, Ward DK, Foster ME (2016) An analytical bond-order potential for the aluminum copper binary system. J Alloy Compd 680:752–767. https://doi.org/10.1016/j.jallcom.2016.04.05510.1016/j.jallcom.2016.04.055 ↗