Fourier-spectral-method implementation of deformation in the phase-field crystal model: Further development

2020 ◽  
Author(s):  
Nirand Pisutha-Arnond
Keyword(s):  
Spectral Method ◽  
Phase Field ◽  
Fourier Spectral Method ◽  
Crystal Model ◽  
Further Development ◽  
Phase Field Crystal

scholarly journals Fourier-spectral-method implementation of deformation in the phase-field crystal model

2018 ◽  
Vol 192 ◽  
pp. 01028
Author(s):  
Nirand Pisutha-Arnond
Keyword(s):  
Fourier Transform ◽  
Spectral Method ◽  
Phase Field ◽  
Real Space ◽  
Fourier Spectral Method ◽  
Crystal Model ◽  
Space Coordinate ◽  
Diffusive Time ◽  
Body Correlation ◽  
Phase Field Crystal

The phase-field crystal (PFC) method is a promising computational model with atomistic resolution and diffusive time scale. In this work, the Fourier-spectral-method (FSM) scheme was developed for evaluating the PFC free energy of a system subjected homogeneous deformation. This scheme addresses the complication where, in numerical implementation of FSM using discrete Fourier transform (DFT), the discretized data may no longer lie along the directions of the Cartesian basis due to deformation. In this scheme, the real-space coordinate transformation is employed so that the (continuous) Fourier transform is performed on the function of the undeformed coordinates. This transformation allows straightforward DFT implementation because the sampling at the undeformed configuration is unaffected by the deformation. This scheme is also shown to be applicable to both the original PFC model and a “CDFT”-type PFC model containing a two-body correlation function.

scholarly journals Calculations of isothermal elastic constants in the phase-field crystal model

2013 ◽  
Vol 87 (1) ◽  
Author(s):  
N. Pisutha-Arnond ◽  
V. W. L. Chan ◽  
K. R. Elder ◽  
K. Thornton
Keyword(s):  
Elastic Constants ◽  
Phase Field ◽  
Crystal Model ◽  
Phase Field Crystal

scholarly journals Phase-field-crystal model for ordered crystals

2017 ◽  
Vol 95 (2) ◽  
Author(s):  
Eli Alster ◽  
K. R. Elder ◽  
Jeffrey J. Hoyt ◽  
Peter W. Voorhees
Keyword(s):  
Phase Field ◽  
Crystal Model ◽  
Phase Field Crystal

scholarly journals Multicomponent phase-field crystal model for structural transformations in metal alloys

2013 ◽  
Vol 87 (13) ◽  
Author(s):  
Nana Ofori-Opoku ◽  
Vahid Fallah ◽  
Michael Greenwood ◽  
Shahrzad Esmaeili ◽  
Nikolas Provatas
Keyword(s):  
Phase Field ◽  
Structural Transformations ◽  
Metal Alloys ◽  
Crystal Model ◽  
Phase Field Crystal
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