Phase-Field Crystals with Elastic Interactions

by: Peter Stefanovic, Mikko Haataja, Nikolas Provatas

Physical Review Letters, Vol. 96, No. 22. (2006)

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Abstract

We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder et al., 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.

@article{citeulike:2317831, abstract = {We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder et al., 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.}, author = {Stefanovic, Peter and Haataja, Mikko and Provatas, Nikolas }, citeulike-article-id = {2317831}, doi = {http://dx.doi.org/10.1103/PhysRevLett.96.225504}, journal = {Physical Review Letters}, keywords = {pfc}, number = {22}, posted-at = {2008-02-01 03:49:54}, priority = {2}, publisher = {APS}, title = {Phase-Field Crystals with Elastic Interactions}, url = {http://dx.doi.org/10.1103/PhysRevLett.96.225504}, volume = {96}, year = {2006} }

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TY - JOUR ID - citeulike:2317831 L3 - citeulike-article-id:2317831 TI - Phase-Field Crystals with Elastic Interactions JF - Physical Review Letters VL - 96 IS - 22 PB - APS N2 - We report on a novel extension of the recently introduced phase-field crystal (PFC) method [Elder et al., 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. KW - pfc AU - Stefanovic, Peter AU - Haataja, Mikko AU - Provatas, Nikolas PY - 2006/// UR - http://dx.doi.org/10.1103/PhysRevLett.96.225504 ER -

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