In this paper a theoretical and computational study of the thermal instability of hollow binary alloy nanoparticles due to vacancy diffusion is described along with comparison with previous reported results [1-3].

The main results of the present work are:

1. A general treatment of the Gibbs-Thomson effect for a hollow nanosphere was made. Unlike the earlier treatment [1] the present analysis allows a vacancy composition profile across the nanoshell to be represented by a continuous decreasing function as well as by a continuous function with a minimum;

2. The range for the controlling parameter of the vacancy motion within a binary alloy nanoshell has been determined in terms of the phenomenological coefficients as well as the (measurable) tracer diffusion coefficients of the atomic components and the geometric correlation factor for the lattice by means of the Moleko, Allnatt and Allnatt [4] and Manning [5] diffusion kinetics theories;

[1] K.N. Tu and U. Gösele, Appl. Phys. Lett. 86 093111 (2005).

[2] A.M. Gusak, T.V. Zaporozhets, K.N. Tu, U. Gösele, Phil. Mag. 85 4445 (2005).

[3] A.V. Evteev, E.V. Levchenko, I.V. Belova.E. Murch, Phil. Mag. 87 3787 (2007).

[4] L.K. Moleko, A.R. Allnatt and E.L. Allnatt, Phil. Mag. A 59 141 (1989).

[5] J.R. Manning, Phys. Rev. B 4 1111 (1971).

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1. Molecular Dynamics Study of Formation by Interdiffusion of Pd-Ni and Ag-Ni Nanoparticles
2. Stability of hollow nanospheres: a Molecular Dynamics study
3. Analysis of the time-dependence of the segregation of oxygen at metal-ceramic oxide interfaces using lattice Monte Carlo and finite element methods.
4. Bridging different length and time scales in diffusion problems using variable length lattice models