Transactions of the Korean Society of Mechanical Engineers A (대한기계학회논문집A)

The Korean Society of Mechanical Engineers (대한기계학회)
권호 표지
DOI QR코드

DOI QR Code

Analysis of Stress-Strain Relationship of Nano Structures According to the Size and Crystal Orientation by Using the Molecular Dynamics Simulation

분자동역학을 이용한 나노구조물의 크기와 결정방향에 따른 응력-변형률 관계 해석

  • 강용수 (서울산업대학교 에너지환경전문대학원) ;
  • 김현규 (서울산업대학교 기계공학과)
  • Published : 2008.12.01
Download PDF
⟨ Previous Next ⟩

Abstract

In this paper, the molecular dynamics (MD) simulations are performed with single-crystal copper blocks under simple shear and simple tension to investigate the effect of size and crystal orientation. There are many variances to give influences such as deformation path, temperature, specimen size and crystal orientation. Among them, the crystal orientation has a primary influence on the volume averaged stress. The numerical results show that the volume averaged shear stress decreases as the specimen size increases and as the crystal orientation changes from single to octal. Furthermore, the Schmid factor and yield stress for crystal orientation are evaluated by using the MD simulation on the standard triangle of stereographic projection.

Keywords

References

  1. Fleck, N.A, Muller, G.M., Ashby, F.M. and Hutchinson, J.W., 1994, “Strain Gradient Plasticity: Theory and Experiment,” Acta Materialia, Vol. 42, pp. 475-487 https://doi.org/10.1016/0956-7151(94)90502-9
  2. Schmid, E. and Boas, W., 1935, "Crystalplasticity," Springer Verlag, Berlin
  3. Daw, M.S. and Baskes, M.I., 1984, "Embedded-atom Method: Derivation and Application to Impurities, Surfaces, and Other Defects in Metals," Physics Review B, Vol. 29, pp. 6443-6453 https://doi.org/10.1103/PhysRevB.29.6443
  4. Mishin, Y., Mehl, M.J., Papaconstantopoulos, D.A., Voter, A.F. and Kress, J.D., 2001, "Structural Stability and Lattice Defects in Copper:ab Initio, Tight-Binding, and Embedded-Atom Calculations," Physics Review B, Vol. 63, pp. 1-16 https://doi.org/10.1103/PhysRevB.63.224106
  5. Guo, Y., Zhuang, Z., Li. X.Y. and Chen, Z., 2007, "An Investigation of the Combined Size and Rate Effects on the Mechanical Responses of FCC Metals," International Journal of Solids and Structures, Vol. 44, pp. 1180-1195 https://doi.org/10.1016/j.ijsolstr.2006.06.008
  6. Horstemeyer, M.F. and Baskes, M.I., 2000, "A Large Deformation Atomistic Study Examining Crystal Orientation Effects on the Stress-Strain Relationship," International Journal of Plasticity, Vol. 18, pp. 203-229 https://doi.org/10.1016/S0749-6419(00)00076-0
  7. Horstemeyer, M.F. and Baskes, M.I., 1999, "Atomistic Finite Deformation Simulations: a Discussion on Length Scale Effects in Relation to Mechanical Stresses," Journal of Applied Mechanics ASME, Vol. 121, pp. 114-119 https://doi.org/10.1115/1.2812354
  8. Horstemeyer, M.F., Baskes, M.I. and Plimpton, S.J., 2001, "Length Scale and Time Scale Effects on the Plastic Flow of FCC Metals," Acta Materialia, Vol. 49, pp. 43-63 https://doi.org/10.1016/S1359-6454(01)00149-5
  9. Horstemeyer, M.F., Lim, J., Liu, W.Y., Mosher, D.A., Baskes, M.I., Prantil, V.C. and Plimpton, S.J., 2002, "Torsion/simple Shear of Single Crystal Copper," Journal of Engineering Material Technology, Vol. 124, pp. 322-328 https://doi.org/10.1115/1.1480407
  10. Borchardt-Ott, W., 1993, "Crystallography," Springer Verlag, New York
  11. Frenkel, D. and Smit B., 2002, "Molecular Simulation," Academic Press, San Diego