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The kinetics and modes of gold nanowire breaking
Liu Honghai
1
，Jiang Enyong
1*
，Bai Haili
1
，Wu Ping
1
，Li Zhiqing
1
，
Sun Changqing
2♠
1
Tianjin Key Laboratory of Low Dimensional Materials Physics and Preparing Technology and
Institute of Advanced Materials Physics，Faculty of Science，Tianjin University，Tianjin
（300072）
2
School of Electrical and Electronic Engineering，Nanyang Technological University，
Singapore （639798）
E-mail：* eyjiang@tju.edu.cn，
♠
ecqsun@ntu.edu.sg
Abstract
Molecular dynamics calculations revealed that the thermal energy and the tensile force (f) determine
not only the kinetics but also the mode and duration of wire breaking. When the tensile force is in the
range of 0.018 and 0.1 nN/atom, structure transformation of the wire occurs prior to breaking at
random position. The gold wire breaks abruptly when the f is greater than 0.1nN/atom but no rapture
occurs at all when the f is smaller than 0.018 nN/atom. At higher temperatures and under stronger
tensile forces, the wire breaks even faster.
Keywords：Nanostructures，failure，molecular dynamics
1. Introduction
Metallic nanowires have attracted considerable interest due to their novel properties and potential
applications to upcoming technologies such as nanoelectronic and mechanical devices
[1,2,3,4,5,6,7,8,9,10]. One of the most significant issues in nanowire applications is the structural
stability of the wires under various conditions such as chemical, mechanical, and thermal stimuli
[11,12,13]. Generally, the nanowire extension would be subject to two effects when the wire is under
tension: (i) the wire is stretched and prolonged in a constant speed under a non-constant tensile force;
(ii) the wire is stretched under a constant tensile load (e.g. hanging a heavy body under a piece of the
wire). Knowing the kinetics, the modes, and the breaking times of the wire breaking that are subject to
the applied forces at different temperatures would be even more interesting and essential to our
understanding.
Normally, the structural and thermal stability of a nanowire are studied by pulling one or both
ends of the wire with the wire being prolonged in a constant speed [14,15,16,17,18,19]. However, a
nanowire, in practice, is stretched by a constant tensile force [20,21]. Therefore, applying a constant
tensile force is more reasonable, which has been seldom studied. In the present work, we report our
findings in examining the possible breaking mechanism of a gold nanowire by stretching it with
constant tensile forces. Results show that the temperature of operating and the strength of the tensile
force dominate the kinetics, the mode, and the lifetime of gold wire breaking. At higher temperatures
and under stronger tensile forces the wire will break in a shorter time. The nanowire breaks in different
ways subjecting to the joint effect of the temperatures of operation and the applied stretching forces.
2. Principles and methods
The interaction between the Au atoms in the nanowire is described by the many-body tight-
binding potential [22],
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