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Coarse-grained modeling of crystals by the amplitude expansion of the phase-field crystal model: an overview
Marco Salvalaglio, Ken R. Elder
Comprehensive investigations of crystalline systems often require methods bridging atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are of parti…
Mesoscale Defect Motion in Binary Systems: Effects of Compositional Strain and Cottrell Atmospheres
Marco Salvalaglio, Axel Voigt, Zhi-Feng Huang +1
The velocity of dislocations is derived analytically to incorporate and predict the intriguing effects induced by the preferential solute segregation and Cottrell atmospheres in bo…
A coarse-grained phase-field crystal model of plastic motion
Marco Salvalaglio, Luiza Angheluta, Zhi-Feng Huang +3
The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as we…
Closing the gap between atomic-scale lattice deformations and continuum elasticity
Marco Salvalaglio, Axel Voigt, Ken R. Elder
Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report…
Grain extraction and microstructural analysis method for two-dimensional poly and quasicrystalline solids
Petri Hirvonen, Gabriel Martine La Boissonière, Zheyong Fan +4
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycry…
Defects at grain boundaries: A coarse-grained, three-dimensional description by the amplitude expansion of the phase-field crystal model
Marco Salvalaglio, Rainer Backofen, K. R. Elder +1
We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-fiel…