An atomistic study on the stretching of nanowires

Download

index.pdf

Date

1997-12-08

Author

Mehrez, H
Ciraci, S
Fong, CY
Erkoç, Şakir

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

155
views

0
downloads

In this work we present an atomic-scale investigation of elastic and plastic deformation, and force variations in metal nanowires that are pulled from their ends. The atomic simulations are performed by using a molecular dynamics method with an empirical two-body potential; the effect of the initial size, shape, temperature and rate of stretching on the necking and fracture are investigated. We find that the necking occurs mainly due to the formation of a new layer with a smaller cross-section after every structural yield, and concurrently the tensile force falls abruptly. The relationship between the atomic structure and the conductance of the wire is analysed by constructing a realistic potential for the neck in terms of a linear combination of atomic pseudopotentials and by calculating the conductance using the transfer matrix method. Our results show that the variation of the conductance is strongly correlated with the sudden structural changes in the neck, and reflects the quantization of electronic states in the neck, but not the quantization of the conductance.

Subject Keywords

General Materials Science, Condensed Matter Physics

URI

https://hdl.handle.net/11511/56971

Journal

JOURNAL OF PHYSICS-CONDENSED MATTER

DOI

https://doi.org/10.1088/0953-8984/9/49/005

Collections

Department of Physics, Article

Suggestions

OpenMETU
Core

An affine microsphere approach to modeling strain-induced crystallization in rubbery polymers NATEGHİ, AREF; Dal, Hüsnü; Keip, M. -A.; MIEHE, CHRISTIAN (Springer Science and Business Media LLC, 2018-05-01) Upon stretching a natural rubber sample, polymer chains orient themselves in the direction of the applied load and form crystalline regions. When the sample is retracted, the original amorphous state of the network is restored. Due to crystallization, properties of rubber change considerably. The reinforcing effect of the crystallites stiffens the rubber and increases the crack growth resistance. It is of great importance to understand the mechanism leading to strain-induced crystallization. However, limite...
Modeling a suspended nanotube oscillator Toffoli, Hande; Arias, TA (American Chemical Society (ACS), 2005-03-01) We present a general study of oscillations in suspended one-dimensional elastic systems clamped at each end, exploring a wide range of slack (excess length) and downward external forces. Our results apply directly to recent experiments in nanotube and silicon nanowire oscillators. We find the behavior to simplify in three well-defined regimes which we present in a dimensionless phase diagram. The frequencies of vibration of such systems are found to be extremely sensitive to slack.
A constitutive model of nanocrystalline metals based on competing grain boundary and grain interior deformation mechanisms Gürses, Ercan (Elsevier BV, 2011-12-01) In this work, a viscoplastic constitutive model for nanocrystalline metals is presented. The model is based on competing grain boundary and grain interior deformation mechanisms. In particular, inelastic deformations caused by grain boundary diffusion, grain boundary sliding and dislocation activities are considered. Effects of pressure on the grain boundary diffusion and sliding mechanisms are taken into account. Furthermore, the influence of grain size distribution on macroscopic response is studied. The ...
A novel experimental and density functional theory study on palladium and nitrogen doped few layer graphene surface towards glucose adsorption and electrooxidation Caglar, Aykut; Duzenli, Derya; Önal, Işık; Tezsevin, Ilker; Sahin, Ozlem; Demir Kıvrak, Hilal (Elsevier BV, 2021-03-01) At present, few layer graphene (G) and nitrogen doped few layer graphene (N doped-G) are firstly coated on Cu foil via chemical vapor deposition (CVD) method and G and N doped-G coated Cu foil is transferred to the indium tin oxide (ITO) substrate surface to obtain electrodes. Pd metal is electrodeposited onto the N doped-G/ITO electrode (Pd-N doped-G/ITO). Pd-N doped-G/ITO electrode are characterized with advanced surface characterization methods such as Raman spectroscopy and SEM-EDX. Characterization res...
A new formulation for the analysis of elastic layers bonded to rigid surfaces Pinarbasi, Seval; Akyüz, Uğurhan; Mengi, Yalcin (Elsevier BV, 2006-07-01) Elastic layers bonded to rigid surfaces have widely been used in many engineering applications. It is commonly accepted that while the bonded surfaces slightly influence the shear behavior of the layer, they can cause drastic changes on its compressive and bending behavior. Most of the earlier studies on this subject have been based on assumed displacement fields with assumed stress distributions, which usually lead to "average" solutions. These assumptions have somehow hindered the comprehensive study of s...

Citation Formats

H. Mehrez, S. Ciraci, C. Fong, and Ş. Erkoç, “An atomistic study on the stretching of nanowires,” JOURNAL OF PHYSICS-CONDENSED MATTER, pp. 10843–10854, 1997, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56971.