Cracking and adhesion at small scales: Atomistic and continuum studies of flaw tolerant nanostructures

Modelling and Simulation in Materials Science and Engineering

Volumn 14, Issue 5, 2006, Pages 799-816

  Buehler, Markus J ^a   Yao, Haimin ^b   Gao, Huajian ^b   Ji, Baohua ^c  

^a Massachusetts Institute of Technology Cambridge   (United States)

^b MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^c TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADHESION; CRACK INITIATION; CRYSTAL DEFECTS; FAILURE ANALYSIS; MECHANICAL PROPERTIES; SURFACE PROPERTIES; SURFACE ROUGHNESS;

ATOMISTIC SIMULATIONS; ATOMISTIC-CONTINUUM STUDIES; FLAW TOLERANT NANOSTRUCTURES; NANOSCALE ADHESION;

NANOSTRUCTURED MATERIALS;

EID: 33747650479     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/14/5/001     Document Type: Article

References (55)

1. Farkas D, Swygenhoven H v and Derlet P 2002 Intergranular fracture in nanocrystalline metals Phys. Rev. B 66 184112
2. Swygenhoven H v et al 1999 Competing plastic deformation mechanisms in nanophase metals Phys. Rev. B 60 22-5
3. Yamakov V et al 2003 Deformation mechanism crossover and mechanical behaviour in nanocrystalline materials Phil. Mag. Lett. 83 385-93
4. Wolf D et al 2003 Deformation mechanism and inverse Hall-Petch behavior in nanocrystalline materials Z. Metallk 94 1052-61
5. Yamakov V et al 2002 Grain-boundary diffusion creep in nanocrystalline palladium by molecular-dynamics simulation Acta Mater. 50 61-73
6. Van Swygenhoven H, Derlet P M and Froseth A G 2004 Stacking fault energies and slip in nanocrystalline metals Nature Mater. 3 399-403
7. Yamakov V et al 2004 Deformation-mechanism map for nanocrystalline metals by molecular-dynamics simulation Nature Mater. 3 43-7
8. Buehler M J, Hartmaier A and Gao H 2004 Hierarchical multi-scale modeling of plasticity of submicron thin metal films Modelling Simul. Mater. Sci. Eng. 12 S391-413
9. Buehler M J, Hartmaier A and Gao H 2003 Atomistic and continuum studies of crack-like diffusion wedges and dislocations in submicron thin films J. Mech. Phys. Solids 51 2105-25
10. Hartmaier A, Buehler M J and Gao H J 2005 Two-dimensional discrete dislocation models of deformation in polycrystalline thin metal films on substrates Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruc. Process. 400 260-3
11. Hartmaier A, Buehler M J and Gao H J 2005 Multiscale modeling of deformation in polycrystalline thin metal films on substrates Adv. Eng. Mater. 7 165-9
12. Arzt E 1998 Size effects in materials due to microstructural and dimensional constraints: a comparative review Acta Mater. 46 5611-26
13. Gao H et al 2003 Materials become insensitive to flaws at nanoscale: lessons from nature Proc. Natl Acad. Sci. USA 100 5597-600
14. Gao H et al 2004 Flaw tolerant bulk and surface nanostructures of biological systems Mech. Chem. Biosys. 1 37-52
15. Gao H and Ji B 2003 Modeling fracture in Nano-materials via a Virtual Internal Bound Method Eng. Fract. Mech. 70 1777-91
16. Gao H and Yao H 2004 Shape insensitive optimal adhesion of nanoscale fibrillar structures Proc. Natl Acad. Sci. USA 101 7851-6
17. Arzt E, Gorb S and Spolenak R 2003 From micro to nano contacts in biological attachment devices Proc. Natl Acad. Sci. USA 100 10603-6
18. Okumara K and Gennes P-G d 2001 Why is nacre strong? Elastic theory and fracture mechanics for biocomposites with stratified structures Eur. Phys. J. E 4 121-7
19. Scherge M and Gorb S N 2001 Biological Micro and Nano-tribology (New York: Springer)
20. Arzt E, Enders S and Gorb S 2002 Towards a micromechanical understanding of biological surface devices Z. Metallk. 93 345-51
21. Persson B N J 2003 On the mechanism of adhesion in biological systems J. Chem. Phys. 118 7614-21
22. Buehler M J 2006 Atomistic and continuum modeling of mechanical properties of collagen: elasticity, fracture and self-assembly J. Mater. Res. at press
23. Jager I and Fratzl P 2000 Mineralized collagen fibrils: a mechanical model with a staggered arrangement of mineral particles Biophys. J. 79 1737-46
24. Autumn K et al 2002 Evidence for van der Waals adhesion in gecko setae Proc. Natl Acad. Sci. USA 99 12252-6
25. Griffith A A 1920 The phenomenon of rupture and flows in solids Phil. Trans. R. Soc. A 221 163-98
26. Anderson T L 1991 Fracture Mechanics: Fundamentals and Applications (Boca Raton, FL: CRC Press)
27. Gao H J and Chen S H 2005 Flaw tolerance in a thin strip under tension J. Appl. Mech.-Trans. ASME 72 732-7
28. Stadler J, Mikulla R and Trebin H-R 1997 IMD: a software package for molecular dynamics studies on parallel computers Int. J. Mod. Phys. C 8 1131-40
29. Abraham F F and Gao H 1998 Anamalous brittle-ductile fracture behaviors in FCC crystalsy Phil. Mag. Lett. 78 307-12
30. Baskes M I 1997 Determination of modified embedded atom method parameters for nickel Mater. Chem. Phys. 50 152-8
31. Duin A C T v et al 2001 ReaxFF: a reactive force field for hydrocarbons J. Phys. Chem. A 105 9396-409
32. Buehler M J, Duin A C T v and Goddard W A 2006 Multi-paradigm modeling of dynamical crack propagation in silicon using the ReaxFF reactive force field Phys. Rev. Lett. 96 095505
33. Thijsse B J 2005 Silicon potentials under (ion) attack: towards a new MEAM model Nucl. Instrum. Methods Phys. Res. 228 198-211
34. Tersoff J 1988 Empirical interatomic potentials for carbon, with applications to amorphous carbon Phys. Rev. Lett. 61 2879-83
35. Mishin Y et al 2001 Structural stability and lattice defects in copper: ab-initio, tight-binding and embedded-atom calculations Phys. Rev. B 63 224106
36. Abraham F F et al 2000 Dynamic fracture of silicon: concurrent simulation of quantum electrons, classical atoms, and the continuum solid MRS Bull. 25 27-32
37. Duin A C T v et al 2003 ReaxFF SiO: reactive force field for silicon and silicon oxide systems J. Phys. Chem. A 107 3803-11
38. Holland D and Marder M 1998 Ideal brittle fracture of silicon studied with molecular dynamics Phys. Rev. Lett. 80 746
39. Swadener J G, Baskes M I and Nastasi M 2002 Molecular dynamics simulation of brittle fracture in silicon Phys. Rev. Lett. 89 085503
40. Buehler M J and Gao H 2006 Dynamical fracture instabilities due to local hyperelasticity at crack tips Nature 439 307-10
41. Buehler M J, Abraham F F and Gao H 2003 Hyperelasticity governs dynamic fracture at a critical length scale Nature 426 141-6
42. Abraham F F et al 1997 A molecular dynamics investigation of rapid fracture mechanics J. Mech. Phys. Solids 45 1595-19
43. Abraham F F 1996 Dynamics of brittle fracture with variable elasticity Phys. Rev. Lett. 77 869
44. Abraham F F et al 1994 Instability dynamics of fracture: a computer simulation investigation Phys. Rev. Lett. 73 272-5
45. Buehler M J, Abraham F F and Gao H 2004 Stress and energy flow field near a rapidly propagating mode I crack Springer Lecture Notes Computational Science Engigeneering pp 143-56 ISBN 3-540-21180-2
46. Abraham F F and Gao H 2000 How fast can cracks propagate? Phys. Rev. Lett. 84 3113-16
47. Abraham F F et al 2002 Simulating materials failure by using up to one billion atoms and the world's fastest computer: work-hardening Proc. Natl Acad. Sci. USA 99 5783-7
48. Abraham F F et al 2002 Simulating materials failure by using up to one billion atoms and the world's fastest computer: brittle fracture Proc. Natl Acad. Sci. USA 99 5788-92
49. Movchan A B, Bullough R and Willis J R 2003 Two-dimensional lattice models of the Peierls type Phil. Mag. 83 569-87
50. Zhou M and McDowell D L 2002 Equivalent continuum for dynamically deforming atomistic particle systems Phil. Mag. A 82 2547-74
51. Tsai D H 1979 Virial theorem and stress calculation in molecular-dynamics J. Chem. Phys. 70 1375-82
52. Zimmerman J A et al 2004 Calculation of stress in atomistic simulation Modelling. Simul. Mater. Sci. Eng. 12 S319-32
53. Buehler M J, Gao H and Huang Y 2003 Continuum and atomistic studies of a suddenly stopping supersonic crack computational Mater. Sci. 28 385-408
54. Gao H et al 2005 Mechanics of hierarchical adhesion structures of geckos Mech. Mater. 37 275-85
55. Johnson K L 1971 Surface energy and contact of elastic solids Proc. R. Soc. A 324 301