Revealing the energetic and kinetic stabilisation of Guinier-Preston zone morphology during growth in binary Al-Cu alloys
Stegmueller, Tobias 1Haider, Ferdinand1
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作者信息
1. Univ Augsburg
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Abstract
In this paper we are going to present a computational study on the growth behaviour of Guinier-Preston zones (GPZ) in binary Al-Cu alloys. For this purpose we performed atomistic Monte-Carlo (MC) simulations and calculations of static configurational energies by applying a Cluster Expansion Hamiltonian for the binary Al-Cu system derived from density functional theory, which we already developed in a former publication. The MC simulations were designed to represent Cu diffusion and growth events of GPZ and were utilised to display atomistically resolved concentration fields and diffusion currents of mobile Cu in the vicinity of GPZ. For the static calculations we constructed sequences of configurations mimicking growth paths of Cu atoms and recorded their formation energy profiles. From both parts an energetically as well as kinetically stabilised mechanism for GPZ growth is proposed and the origin for the transition from GP(I) to GP(II) is elucidated.
NSTL
Elsevier