Phase-field crystals with elastic interactions

被引:259
作者
Stefanovic, Peter [1 ]
Haataja, Mikko
Provatas, Nikolas
机构
[1] McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON L8S 4L8, Canada
[2] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4L8, Canada
[3] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA
[4] Princeton Univ, Princeton Inst Sci & Technol Mat, Princeton, NJ 08544 USA
关键词
D O I
10.1103/PhysRevLett.96.225504
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder , Phys. Rev. Lett. 88, 245701 (2002)], which incorporates elastic interactions as well as crystal plasticity and diffusive dynamics. In our model, elastic interactions are mediated through wave modes that propagate on time scales many orders of magnitude slower than atomic vibrations but still much faster than diffusive time scales. This allows us to preserve the quintessential advantage of the PFC model: the ability to simulate atomic-scale interactions and dynamics on time scales many orders of magnitude longer than characteristic vibrational time scales. We demonstrate the two different modes of propagation in our model and show that simulations of grain growth and elastoplastic deformation are consistent with the microstructural properties of nanocrystals.
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页数:4
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