An atomistic-continuum inhomogeneous material model for the elastic bending of metal nanocantilevers

Advances in Engineering Software

Volumn 39, Issue 9, 2008, Pages 764-769

  Wu, H A ^a   Wang, X X ^a  

^a UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

Atomistic elastic constant; Atomistic continuum model; Inhomogeneous material; Nanocantilever

Indexed keywords

COMPUTATION THEORY; COMPUTER SIMULATION; ELASTIC MODULI; ERROR ANALYSIS; MATHEMATICAL MODELS;

ATOMISTIC ELASTIC CONSTANT; ATOMISTIC-CONTINUUM MODEL; INHOMOGENEOUS MATERIAL; NANOCANTILEVER;

CANTILEVER BEAMS;

EID: 42749097273     PISSN: 09659978     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.advengsoft.2007.10.005     Document Type: Article

References (31)

1. N.I. Kovtyukhova T.E. Mallouk Nanowires as building blocks for self-assembling logic and memory circuits Chem-A Eur J 8 19 2002 4355 4363
2. Y. Huang C.M. Lieber Integrated nanoscale electronics and optoelectronics: exploring nanoscale science and technology through semiconductor nanowires Pure Appl Chem 76 12 2004 2051 2068
3. Y. Kondo K. Takayanagi Gold nanobridge stabilized by surface structure Phys Rev Lett 79 18 1997 3455 3458
4. T. Namazu Y. Isono T. Tanaka Evaluation of size effect on mechanical properties of single crystal silicon by nanoscale bending test using AFM J Microelectromech Syst 9 4 2000 450 459
5. J.K. Diao K. Gall M.L. Dunn Surface-stress-induced phase transformation in metal nanowires Nature Mater 2 10 2003 656 660
6. J.K. Diao K. Gall M.L. Dunn Atomistic simulation of the structure and elastic properties of gold nanowires J Mech Phys Solids 52 9 2004 1935 1962
7. K. Gall J.K. Diao M.L. Dunn The strength of gold nanowires Nano Lett 4 12 2004 2431 2436
8. J.K. Diao K. Gall M.L. Dunn Yield strength asymmetry in metal nanowires Nano Lett 4 10 2004 1863 1867
9. J.W. Kang H.J. Hwang Molecular dynamics simulation study of the mechanical properties of rectangular Cu nanowires J Korean Phys Soc 38 6 2001 695 700
10. J.W. Kang H.J. Hwang Mechanical deformation study of copper nanowire using atomistic simulation Nanotechnology 12 3 2001 295 300
11. J.W. Kang H.J. Hwang Molecular dynamics simulations of ultra-thin Cu nanowires Comput Mater Sci 27 3 2003 305 312
12. 2 films containing gold nanoparticles Appl Phys B-Laser Opt 82 4 2006 523 527
13. D. Frenkel B. Smit Understanding molecular simulation: from algorithms to applications 2002 Academic Press London
14. S. Kotake Molecular mechanical-engineering JSME Int J Series B–Fluid Therm Eng 38 1 1995 1 7
15. H.A. Wu Strength and fracture of single crystal metal nanowire Key Eng Mater 261–263 2004 33 38
16. P. Frederix Atomic force bio-analytics Curr Opin Chem Biol 7 5 2003 641 647
17. H.A. Wu Molecular dynamics simulation of loading rate and surface effects on the elastic bending behavior of metal nanorod Comput Mater Sci 31 3–4 2004 287 291
18. D.H. Tsai Virial theorem and stress calculation in molecular-dynamics J Chem Phys 70 3 1979 1375 1382
19. J.F. Lutsko Stress and elastic-constants in anisotropic solids – molecular-dynamics techniques J Appl Phys 64 3 1988 1152 1154
20. J.F. Lutsko Generalized expressions for the calculation of elastic-constants by computer-simulation J Appl Phys 65 8 1989 2991 2997
21. M.D. Kluge Formalism for the calculation of local elastic-constants at grain-boundaries by means of atomistic simulation J Appl Phys 67 5 1990 2370 2379
22. K.S. Cheung S. Yip Atomic-level stress in an inhomogeneous system J Appl Phys 70 10 1991 5688 5690
23. M. Zhou A new look at the atomic level virial stress: on continuum-molecular system equivalence Proc Roy Soc Lond Series A–Math Phys Eng Sci 459 2037 2003 2347 2392
24. Z.H. Sun On stress calculations in atomistic simulations Model Simul Mater Sci Eng 14 3 2006 423 431
25. M.F. Horstemeyer M.I. Baskes S.J. Plimpton Length scale and time scale effects on the plastic flow of fcc metals Acta Mater 49 20 2001 4363 4374
26. M.S. Daw M.I. Baskes Embedded-atom method – derivation and application to impurities, surfaces, and other defects in metals Phys Rev B 29 12 1984 6443 6453
27. S.M. Foiles M.I. Baskes M.S. Daw Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys Phys Rev B 33 12 1986 7983 7991
28. R.A. Johnson Analytic nearest-neighbor model for fcc metals Phys Rev B 37 8 1988 3924 3931
29. Y. Mishin Structural stability and lattice defects in copper: ab initio, tight-binding, and embedded-atom calculations Phys Rev B 6322 22 2001 224106
30. M. Doyama Y. Kogure Embedded atom potentials in fcc and bcc metals Comput Mater Sci 14 1–4 1999 80 83
31. H.Y. Liang Molecular dynamics simulation on the mechanical behaviors of nano-copper 2001 University of Science and Technology of China Hefei