Paper Title:
First Principles Study on Ideal Strength of Cu Multi-Shell Nano-Wire
  Abstract

The ideal strength of a nano-component, which is the maximum stress of the structure, provides an insight into the mechanical behavior of minute material. We conducted tensile simulations for cylindrical-shaped Cu nano-wires composed of an atomic chain as a core wrapped around by shell(s) with the structure of (111) layers in an fcc crystal. The results are compared with Cu atomic chain and sheet which are components of the nanowire. Young’s moduli and the ideal strengths of the wires are less than a single atomic chain and a sheet. The mechanical strength of the wire is weakened by the following three factors: (A) Change in electron arrangement caused by combining core and shell; (B) Larger interatomic distance (inherent tensile strain) of the outer shell introduced by the mismatch of atomic layers due to the curvature difference; (C) Mismatch between shells due to curvature difference. Factor (A) reduces the bonding strength in the shell(s) that occupy a greater part of the wire. 5-1 wire, which consists of a core and a shell, is weaker than the single atomic chain and the single sheet due to (A) and (B). 10-5-1 wire, consisting of a core and two shells, has less strength than 5-1 wire due to (C) in addition to (A) and (B).

  Info
Periodical
Key Engineering Materials (Volumes 345-346)
Edited by
S.W. Nam, Y.W. Chang, S.B. Lee and N.J. Kim
Pages
919-924
DOI
10.4028/www.scientific.net/KEM.345-346.919
Citation
T. Kitamura, A. Kushima, Y. Umeno, "First Principles Study on Ideal Strength of Cu Multi-Shell Nano-Wire", Key Engineering Materials, Vols. 345-346, pp. 919-924, 2007
Online since
August 2007
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Chun Te Lin, Kuo Ning Chiang
Abstract:This paper proposes a novel atomistic-continuum mechanics (ACM) based on the finite element method (FEM) to investigate the mechanical bulk...
281
Authors: Han Qing Jiang, Keh Chih Hwang, Young Huang
Abstract:It is commonly believed that continuum mechanics theories may not be applied at the nanoscale due to the discrete nature of atoms. We...
11
Authors: Seong Min Jeong, Takayuki Kitamura
Abstract:The diamond structure of single crystal silicon transforms to other structures under mechanical stress. We investigate the structural...
963
Authors: Yi Chen, Jiang Shen
Abstract:The phase stability, crystal structure and mechanical properties of YT2Zn20 and SmT2Zn20 (T=Fe,...
204
Authors: Małgorzata Chwał
Chapter 16: Micro / Nano Materials
Abstract:The present paper deals with the numerical evaluation of the effective Young's modulus values for the single-walled carbon nanotubes. The...
1225