User login

Navigation

You are here

Universal Stability and Temperature Dependent Phase Transformation in Group VIIIB–IB Transition Metal FCC Nanowires.

I want to share our recent research work on FCC metallic nanowires, which is published in Journal of Physical Chemistry - C (ACS Publications). The abstract of the paper is given below. Further details can be found at " Sutrakar et al  J. Phys. Chem. C2011115 (21), pp 10394–10398

DOI: 10.1021/jp2006815

 

Abstract: Atomistic simulation of Ag, Al, Au, Cu, Ni, Pd, and Pt FCC metallic nanowires show a universal FCC → HCP phase transformation below a critical cross-sectional size, which is reported for the first time in this paper. The newly observed HCP structure is also confirmed from previous experimental results. Above the critical cross-sectional size, initial 100/{100} FCC metallic nanowires are found to be metastable. External thermal heating shows the transformation of metastable 100/{100} FCC nanowires into 110/{111} stable configuration. Size dependent metastability/instability is also correlated with initial residual stresses of the nanowire by use of molecular static simulation using the conjugant gradient method at a temperature of 0 K. It is found that a smaller cross-sectional dimension of an initial FCC nanowire shows instability due to higher initial residual stresses, and the nanowire is transformed into the novel HCP structure. The initial residual stress shows reduction with an increase in the cross-sectional size of the nanowires. A size dependent critical temperature is also reported for metastable FCC nanowires using molecular dynamic, to capture the 110/{111} to 100/{100} shape memory and pseudoelasticity. 

 

 

Subscribe to Comments for "Universal Stability and Temperature Dependent Phase Transformation in Group VIIIB–IB Transition Metal FCC Nanowires. "

Recent comments

More comments

Syndicate

Subscribe to Syndicate