Molecular statics simulations of buckling and yielding of gold nanowires deformed in axial compression
Source abstract
Abstract
We use molecular statics simulations with the embedded atom method potential to delineate yielding (material instability) and buckling (structural instability) in gold nanowires deformed axially in compression. It is found that both local (stacking faults) and global instabilities occur when the gold nanowire yields but only global instabilities occur when the nanowire buckles. Furthermore strong surface effects reorient the lattice structure which significantly increases Young’s modulus in the axial direction and cause a nanowire of relatively small slenderness ratio (e.g., 14) to buckle. Upon complete unloading of the nanowires, the average axial stress and the total potential energy revert to their values in the reference configuration for the nanowires that buckled but not for the one that yielded. 2009 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Microstructure and mechanical properties · Carbon Nanotubes in Composites · Force Microscopy Techniques and Applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (41)
Show source-provided references
1. Quantized conductance through individual rows of suspended gold atoms10.1038/27399 ↗
2. Formation and manipulation of a metallic wire of single gold atoms10.1038/27405 ↗
3. Synthesis and characterization of helical multi-shell gold nanowires10.1126/science.289.5479.606 ↗
4. Signature of atomic structure in the quantum conductance of gold nanowires10.1103/PhysRevLett.85.4124 ↗
5. Covalent immobilization of native biomolecules onto Au(111) via N-hydroxysuccinimide ester functionalized self-assembled monolayers for scanning probe microscopy10.1016/S0006-3495(96)79810-7 ↗
6. Analysis of functionalized DNA absorption on Au (111) using electron-spectroscopy10.1021/la00018a030 ↗
7. Effect of metal powder packing on the conductivity of nanometal ink10.1166/jnn.2007.071 ↗
8. Rauter · Macromol Symp · 2004 · 217 · 10910.1002/masy.200451309 ↗
9. The strength of gold nanowires10.1021/nl048456s ↗
10. Surface-stress-induced phase transformation in metal nanowires10.1038/nmat977 ↗
11. Evidence for the supermodulus effect and enhanced hardness in metallic superlattices10.1103/PhysRevB.44.13760 ↗
12. Truesdell · 1992
13. Acceleration waves in solids10.1016/0022-5096(62)90024-8 ↗
14. The localization of plastic deformation
15. Grain boundaries as heterogeneous systems: atomic and continuum elastic properties10.1098/rsta.1992.0051 ↗
16. Quantifying the early stages of plasticity through nanoscale experiments and simulations10.1103/PhysRevB.67.104105 ↗
17. Analytical evaluation of unstable deformation criterion of atomic structure and its application to nanostructure10.1016/j.commatsci.2003.12.004 ↗
18. Instability criterion of inhomogeneous atomic system10.1016/j.msea.2004.02.061 ↗
19. Near-surface lattice instability in 2D fiber and half-space10.1016/j.actamat.2004.11.015 ↗
20. A local instability criterion for solid-state defects10.1016/j.jmps.2008.10.005 ↗
21. On the nonlocal nature of dislocation nucleation during nanoindentation10.1016/j.jmps.2007.10.005 ↗
22. An atomistic instability condition and applications10.2140/jomms.2006.1.633 ↗
23. Studies of validity of the Cauchy–Born rule by direct comparison of continuum and atomistic modeling10.1088/0965-0393/15/1/S21 ↗
24. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
25. Plimpton SJ, Pollock R, Stevens M. Particle-Mesh Ewald and rRESPA for parallel molecular dynamics simulations. In: Proceedings of the eighth SIAM conference on parallel processing for scientific computing, Minneapolis, MN; 1997.
26. Semiempirical, quantum-mechanical calculation of hydrogen embrittlement in metals10.1103/PhysRevLett.50.1285 ↗
27. Embedded-atom method- Derivation and application to impurities, surfaces, and other defects in metals10.1103/PhysRevB.29.6443 ↗
28. On a mechanical theory applicable to heat10.1080/14786447008640370 ↗
29. Stress and elastic constants in anisotropic solids: molecular dynamics techniques10.1063/1.341877 ↗
30. Formulas for determining local properties in molecular dynamics simulations: shock waves10.1063/1.442714 ↗
31. The statistical mechanical theory of transport processes, IV. The equations of hydrodynamics10.1063/1.1747782 ↗
32. A new look at the atomic level virial stress: on continuum-molecular system equivalence10.1098/rspa.2003.1127 ↗
33. Instabilities in shear and simple shear deformations of gold crystals10.1016/j.jmps.2008.08.005 ↗
34. Dislocation nucleation and defect structure during surface indentation10.1103/PhysRevB.58.11085 ↗
35. Wallace · 1970
36. Size-dependent elastic properties of nanosized structural elements10.1088/0957-4484/11/3/301 ↗
37. Atomistic calculations of elastic properties of metallic fcc crystal surfaces10.1103/PhysRevB.71.094104 ↗
38. Local and global instabilities in nano-size rectangular prismatic gold specimens10.1016/j.commatsci.2009.05.001 ↗
39. Modified smoothed particle hydrodynamics method and its application to transient problems
40. Macroscopic properties of carbon nanotubes from molecular-mechanics simulations10.1103/PhysRevB.69.235406 ↗
41. Buckling of multiwalled carbon nanotubes under axial compression10.1103/PhysRevB.73.085410 ↗