An accurate and efficient algorithm for the time-fractional molecular beam epitaxy model with slope selection

Abstract In this paper, we introduce a time-fractional molecular beam epitaxy (MBE) model with slope selection using the classical Caputo fractional derivative of order α ( 0 α 1 ), which is shown to possess an energy dissipation law. Then we develop its efficient and accurate, full discrete, linear numerical approximation. Utilizing the classical L 1 numerical treatment for the time-fractional derivative and the invariant energy quadratization strategy, the resulted semi-discrete scheme is shown to preserve the energy dissipation law and the total mass in the time discrete level. The semi-discrete scheme is further discretized in space using the Fourier spectral method, resulting in a fully discrete linear scheme. The fast algorithm for approximating the time-fractional derivative is also introduced to result in an other efficient full discrete linear scheme. Time refinement tests are conducted for both schemes, verifying their first order convergence in time for arbitrary fractional order α ∈ ( 0 , 1 ] . Several numerical simulations are presented to demonstrate the accuracy and efficiency of the newly proposed schemes. By exploring the fast algorithm calculating the Caputo fractional derivative, our numerical scheme makes it practical for long time simulation of the MBE model while preserving its energy stability, which is essential for MBE model predictions. With the proposed fractional MBE model, we observe that the effective energy decaying scales as O ( t − α 3 ) and the roughness increases as O ( t α 3 ) , during the coarsening dynamics with the random initial condition. That is to say, the coarsening rate of time fractional MBE model could be manipulated by the fractional order α as a power law proportional to α . This is the first time in literature to report/discover such scaling correlation for the MBE model. It provides a potential application field for fractional differential equations to study anomalous coarsening. Besides, the numerical approximation strategy proposed in this paper can be readily applied to study many classes of time-fractional phase field models.

[1]  Jaemin Shin,et al.  A Second-Order Operator Splitting Fourier Spectral Method for Models of Epitaxial Thin Film Growth , 2017, J. Sci. Comput..

[2]  Martin Stoll,et al.  A Fractional Inpainting Model Based on the Vector-Valued Cahn-Hilliard Equation , 2015, SIAM J. Imaging Sci..

[3]  Cheng Wang,et al.  A second‐order energy stable backward differentiation formula method for the epitaxial thin film equation with slope selection , 2017, 1706.01943.

[4]  Mark Ainsworth,et al.  Well-posedness of the Cahn–Hilliard equation with fractional free energy and its Fourier Galerkin approximation , 2017 .

[5]  Zhengru Zhang,et al.  The stability and convergence of two linearized finite difference schemes for the nonlinear epitaxial growth model , 2012 .

[6]  Wenqiang Feng,et al.  Linearly Preconditioned Nonlinear Conjugate Gradient Solvers for the Epitaxial Thin Film Equation with Slope Selection , 2017 .

[7]  Hong Wang,et al.  A space-time fractional phase-field model with tunable sharpness and decay behavior and its efficient numerical simulation , 2017, J. Comput. Phys..

[8]  Hong Wang,et al.  A direct O(N log2 N) finite difference method for fractional diffusion equations , 2010, J. Comput. Phys..

[9]  Bo Li,et al.  Center for Scientific Computation And Mathematical Modeling , 2003 .

[10]  Jie Shen,et al.  A New Class of Efficient and Robust Energy Stable Schemes for Gradient Flows , 2017, SIAM Rev..

[11]  Cheng Wang,et al.  A Second Order Energy Stable Linear Scheme for a Thin Film Model Without Slope Selection , 2018, J. Sci. Comput..

[12]  Xianjuan Li,et al.  A Space-Time Spectral Method for the Time Fractional Diffusion Equation , 2009, SIAM J. Numer. Anal..

[13]  A. Alikhanov A priori estimates for solutions of boundary value problems for fractional-order equations , 2010, 1105.4592.

[14]  Jiang Yang,et al.  The scalar auxiliary variable (SAV) approach for gradient flows , 2018, J. Comput. Phys..

[15]  Hong Wang,et al.  A Fast Finite Difference Method for Two-Dimensional Space-Fractional Diffusion Equations , 2012, SIAM J. Sci. Comput..

[16]  Schuller,et al.  Epitaxial growth of silicon: A molecular-dynamics simulation. , 1987, Physical review. B, Condensed matter.

[17]  Clarke,et al.  Origin of reflection high-energy electron-diffraction intensity oscillations during molecular-beam epitaxy: A computational modeling approach. , 1987, Physical review letters.

[18]  T. Kaczorek,et al.  Fractional Differential Equations , 2015 .

[19]  Xiao Li,et al.  Energy stability and error estimates of exponential time differencing schemes for the epitaxial growth model without slope selection , 2018, Math. Comput..

[20]  Tao Zhou,et al.  On Energy Dissipation Theory and Numerical Stability for Time-Fractional Phase-Field Equations , 2018, SIAM J. Sci. Comput..

[21]  Cheng Wang,et al.  A Linear Iteration Algorithm for a Second-Order Energy Stable Scheme for a Thin Film Model Without Slope Selection , 2014, J. Sci. Comput..

[22]  Tao Tang,et al.  An Adaptive Time-Stepping Strategy for the Molecular Beam Epitaxy Models , 2011, SIAM J. Sci. Comput..

[23]  Y. Cherruault,et al.  New results of convergence of Adomian’s method , 1999 .

[24]  J. Krug Origins of scale invariance in growth processes , 1997 .

[25]  W. H. Weinberg,et al.  Dynamic Monte Carlo with a proper energy barrier: Surface diffusion and two‐dimensional domain ordering , 1989 .

[26]  Jia Zhao,et al.  Numerical approximations for the molecular beam epitaxial growth model based on the invariant energy quadratization method , 2017, J. Comput. Phys..

[27]  Robert V. Kohn,et al.  Upper bound on the coarsening rate for an epitaxial growth model , 2003 .

[28]  Zhi‐zhong Sun,et al.  Fast Evaluation of the Caputo Fractional Derivative and its Applications to Fractional Diffusion Equations: A Second-Order Scheme , 2017 .

[29]  Tao Tang,et al.  Stability Analysis of Large Time-Stepping Methods for Epitaxial Growth Models , 2006, SIAM J. Numer. Anal..

[30]  G. Karniadakis,et al.  A fractional phase-field model for two-phase flows with tunable sharpness: Algorithms and simulations , 2016 .

[31]  J. Villain Continuum models of crystal growth from atomic beams with and without desorption , 1991 .

[32]  R. Metzler,et al.  Generalized viscoelastic models: their fractional equations with solutions , 1995 .

[33]  Steven M. Wise,et al.  Unconditionally stable schemes for equations of thin film epitaxy , 2010 .

[34]  Zhifeng Weng,et al.  A Fourier spectral method for fractional-in-space Cahn–Hilliard equation , 2017 .

[35]  Tao Tang,et al.  Fast and stable explicit operator splitting methods for phase-field models , 2015, J. Comput. Phys..

[36]  Leonardo Golubović,et al.  Interfacial Coarsening in Epitaxial Growth Models without Slope Selection , 1997 .

[37]  Jie Shen,et al.  Second-order Convex Splitting Schemes for Gradient Flows with Ehrlich-Schwoebel Type Energy: Application to Thin Film Epitaxy , 2012, SIAM J. Numer. Anal..

[38]  Zhonghua Qiao,et al.  Error analysis of a finite difference scheme for the epitaxial thin film model with slope selection with an improved convergence constant , 2017 .

[39]  Bo Li,et al.  Epitaxial Growth Without Slope Selection: Energetics, Coarsening, and Dynamic Scaling , 2004, J. Nonlinear Sci..

[40]  S. Osher,et al.  Island dynamics and the level set method for epitaxial growth , 1999 .

[41]  Xiaofeng Yang,et al.  Regularized linear schemes for the molecular beam epitaxy model with slope selection , 2018 .

[42]  Zhi-Zhong Sun,et al.  Stability and convergence of second-order schemes for the nonlinear epitaxial growth model without slope selection , 2014, Math. Comput..

[43]  Zhiping Mao,et al.  Analysis and Approximation of a Fractional Cahn-Hilliard Equation , 2017, SIAM J. Numer. Anal..

[44]  Zhimin Zhang,et al.  Fast evaluation of the Caputo fractional derivative and its applications to fractional diffusion equations , 2015, 1511.03453.

[45]  D. Moldovan,et al.  Interfacial coarsening dynamics in epitaxial growth with slope selection , 2000, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

[46]  S. Osher,et al.  Level-set methods for the simulation of epitaxial phenomena , 1998 .