Atomistic simulations of electric field effects on the Youngʼs modulus of metal nanowires

We present a computational, atomistic study of electric field effects on the Youngʼs modulus of metal nanowires. The simulations are electromechanically coupled, where the mechanical forces on the atoms are obtained from realistic embedded atom method potentials, and where the electrostatic forces on the atoms are obtained using a point dipole electrostatic model that is modified to account for the different polarizability and bonding environment of surface atoms. By considering three different nanowire axial orientations ( ##IMG## [http://ift.tt/1FC83b5] {$\langle 100\rangle $} , ##IMG## [http://ift.tt/1FC83b7] {$\langle 110\rangle $} and ##IMG## [http://ift.tt/1uEAgFC] {$\langle 111\rangle $} ) of varying cross sectional sizes and aspect ratios, we find that the Youngʼs modulus of...

Xue Ben and Harold S Park

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