Evaluating the effect of different test parameters on the tensile mechanical properties of single crystal silver nanowires using molecular dynamics simulation

  • Jit SarkarEmail author
  • D. K. Das
Research Paper


Nanowires show amazing mechanical properties with respect to their bulk counterpart owing to their very high specific surface and/or interface area and, thus, are widely studied among several researchers. But it is difficult to study the mechanical properties of nanowires at atomistic level, and computational tools provide the required solution. Molecular dynamics simulation studies were carried out in this work to evaluate the mechanical properties of single crystal silver nanowire subjected to tensile deformation under varying wire diameter (4–14 nm), test temperature (100–500 K), and strain velocity (1–6 Å/ps). The simulation were carried out in analogous to real experiment, and the engineering stress and strain were calculated from the simulation result of load and displacement data. The mechanical properties like yield strength and Young’s modulus were calculated from the engineering stress-strain curve. The effect of different test parameters like wire diameter, equilibration temperature, and strain velocity on the mechanical properties were also thoroughly investigated. The result shows that single crystal silver nanowire shows excellent mechanical properties and, thus, can be used as a reinforcing agent to develop ultra-high strength advanced materials for defense and aerospace applications.


Silver nanowire Tensile testing Mechanical properties Yield strength Young’s modulus Molecular dynamics Modeling Simulation 


Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflict of interest.


  1. Baletto F, Rapallo A, Rossi G, Ferrando R (2004) Dynamical effects in the formation of magic cluster structures. Phys Rev B 69:235421CrossRefGoogle Scholar
  2. Bochicchio D, Ferrando R (2013) Morphological instability of core-shell metallic nanoparticles. Phys Rev B 87(16):165435CrossRefGoogle Scholar
  3. Desai AV, Haque MA (2007) Mechanical properties of ZnO nanowires. Sensors Actuators A 134:169–176CrossRefGoogle Scholar
  4. Evans DJ, Holian BL (1985) The nose-hoover thermostat. J Chem Phys 83:4069–4074CrossRefGoogle Scholar
  5. Feng G, Nix WD (2006) A study of the mechanical properties of nanowires using nanoindentation. J App Physiol 99:074304CrossRefGoogle Scholar
  6. Ferrando R (2015) Symmetry breaking and morphological instabilities in core-shell metallic nanoparticles. J Phys Condens Matter 27(1):013003CrossRefGoogle Scholar
  7. Koh SJA, Lee HP (2006) Molecular dynamics simulation of size and strain rate dependent mechanical response of FCC metallic nanowires. Nanotechnology 17:3451–3467CrossRefGoogle Scholar
  8. Li J (2005) Basic molecular dynamics. In: Yip S (ed) Handbook of materials modeling (part a). Springer, The Netherlands, pp 565–588CrossRefGoogle Scholar
  9. Lin Y, Peng J, Hua LY, Hai XZ, Bin SD, Bin G (2014) Molecular dynamics simulation of polycrystal silver nanowires under tensile deformation. Acta Phys Sin 63:016201Google Scholar
  10. McDowell MT, Leach AM, Gall K (2008) Bending and tensile deformation of metallic nanowires. Model Simul Mater Sci Eng 16:045003CrossRefGoogle Scholar
  11. Plimpton S (1995) Fast parallel algorithms for short-range molecular dynamics. J Comp Physiol 117:1–19CrossRefGoogle Scholar
  12. Rowlinson JS (2005) The Maxwell-Boltzmann distribution. Mol Phys 103:2821–2828CrossRefGoogle Scholar
  13. 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 20:153CrossRefGoogle Scholar
  14. 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 20:9CrossRefGoogle Scholar
  15. Sohn YS, Park J, Yoon G, Song J, Jee SW, Lee JH, Na S, Kwon T, Eom K (2010) Mechanical properties of silicon nanowires. Nanoscale Res Lett 5:211–216CrossRefGoogle Scholar
  16. Stukowski A (2010) Visualization and analysis of atomistic simulation data with OVITO – the open visualization tool. Model Simul Mater Sci Eng 18:015012CrossRefGoogle Scholar
  17. Wang F, Sun W, Gao Y, Liu Y, Zhao J, Sun C (2013) Investigation on the most probable breaking behaviors of copper nanowires with the dependence of temperature. Comput Mater Sci 67:182–187CrossRefGoogle Scholar
  18. Williams PL, Mishin Y, Hamilton JC (2006) An embedded-atom potential for the Cu–Ag system. Model Simul Mater Sci Eng 14:817–833CrossRefGoogle Scholar

Copyright information

© Springer Nature B.V. 2018

Authors and Affiliations

  1. 1.Department of Metallurgical and Materials EngineeringIndian Institute of TechnologyKharagpurIndia
  2. 2.Department of Mechanical EngineeringKazi Nazrul UniversityAsansolIndia

Personalised recommendations