A multi-scale numerical simulation of the crystallisation and temperature field of glass

比例(比率) 领域(数学) 结晶 计算机模拟 材料科学 热力学 物理 机械 数学 量子力学 纯数学
作者
Yongzhi Liu,Tie Geng,Lih‐Sheng Turng,Xinchao Wang,Ren Qinghai
出处
期刊:Molecular Physics [Taylor & Francis]
卷期号:115 (23): 3024-3032 被引量:3
标识
DOI:10.1080/00268976.2017.1346310
摘要

There is a big difference in the spatial scale between temperature field simulation and crystallisation simulation of the glass cooling process. The temperature field belongs to the macroscopic scale, while crystallisation is on the mesoscopic scale. In this paper, a coupled algorithm for the temperature field and crystallisation calculation is established in which the macroscopic temperature simulation is based on the finite element method while the mesoscopic crystallisation simulation is based on the Monte Carlo method using the Uhlmann model. In calculations, the temperature value is regarded as the input condition of the crystallisation calculation while the results of crystallisation in the form of latent heat are used as the input conditions for the temperature calculation. The pixel method is employed to deal with the collision process of crystal grain interfaces. A corresponding numerical simulation scheme has been developed and a multi-scale simulation of glass crystallisation and the cooling temperature field has been carried out. Finally, the presented model and developed simulation scheme have been shown to be very reasonable in comparison to both numerical predictions and with previous results from the literature.

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