Abstract
The phenomenon of phase separation has been observed in lipid membranes. This process is remarkable, since both in-membrane and solvent-mediated hydrodynamic effects affect separation dynamics. The Cahn–Hilliard model for phase separation is here considered, coupled with the overdamped (Stokes) fluid equations. The convection term of the Cahn–Hilliard equations, which is due to hydrodynamic effects, is here treated by a Lagrangian method, in which fluid particles move along the velocity field carrying the concentration field. The method is combined with a projection onto a fixed regular mesh, where the rest of the equations are solved in Fourier space. In this space, spatial derivatives are evaluated quite easily. Moreover, the effect of the underlying fluid is straightforward in Fourier space, through the modification of the Oseen tensor. This hybrid treatment is the main contribution of this work. Results are in good agreement with experimental findings. Some agreement is found with previous simulations, but some striking differences are present.
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References
Amsden AA (1966) The particle-in-cell method for the calculation of the dynamics of compressible fluids. Technical Report LA-3466. Los Alamos Scientific Laboratory, New Mexico
Bray AJ (2002) Theory of phase-ordering kinetics. Adv Phys 51(2):481–587
Cahn JW, Hilliard JE (1958) Free energy of a nonuniform system. I. Interfacial free energy. J Chem Phys 28(2):258–267
Camley BA, Brown FLH (2011) Dynamic scaling in phase separation kinetics for quasi-two-dimensional membranes. J Chem Phys 135(22):225106
Camley BA, Esposito C, Baumgart T, Brown FLH (2010) Lipid bilayer domain fluctuations as a probe of membrane viscosity. Biophys J 99(6):L44–L46
Chacón E, Tarazona P (2005) Characterization of the intrinsic density profiles for liquid surfaces. J Phys Condens Matter 17(45):S3493
Duque D, Español P (2018a) Rapid convergence for simulations that project from particles onto a fixed mesh. Int J Numer Methods Eng (Submitted for publication)
Duque D, Español P (2018b) An assignment procedure from particles to mesh that preserves field values. Int J Comput Methods 15(6):1850130
Duque D, Pàmies JC, Vega LF (2004) Interfacial properties of Lennard-Jones chains by direct simulation and density gradient theory. J Chem Phys 121(22):11395–11401
Duque D, Español P, de la Torre JA (2017) Extending linear finite elements to quadratic precision on arbitrary meshes. Appl Math Comput 301:201–213
Evans MW, Harlow FH (1957) The particle-in-cell method for hydrodynamic calculations. Technical Report LA-2139. Los Alamos Scientific Laboratory, New Mexico
Feller SE, Venable RM, Pastor RW (1997) Computer simulation of a DPPC phospholipid bilayer: structural changes as a function of molecular surface area. Langmuir 13(24):6555–6561
Goldenfeld N (1992) Lectures on phase transitions and the renormalization group. Frontiers in physics. Advanced Book Program. Addison-Wesley, Boston (ISBN 9780201554083)
Halperin BI, Hohenberg PC (1977) Theory of dynamical critical phenomena. Rev Mod Phys 49:435–479
Idelsohn S, Oñate E, Nigro N, Becker P, Gimenez J (2015) Lagrangian versus Eulerian integration errors. Comput Methods Appl Mech Eng 293:191–206
Komura S, Andelman D (2014) Physical aspects of heterogeneities in multi-component lipid membranes. Adv Colloid Interface Sci 208:34–46
Lagaert J-B, Balarac G, Cottet G-H (2014) Hybrid spectral-particle method for the turbulent transport of a passive scalar. J Comput Phys 260:127–142
Lubensky DK, Goldstein RE (1996) Hydrodynamics of monolayer domains at the air–water interface. Phys Fluids 8(4):843–854
Marconi UMB, Tarazona P (1999) Dynamic density functional theory of fluids. J Chem Phys 110(16):8032–8044
Marconi UMB, Tarazona P (2000) Dynamic density functional theory of fluids. J Phys Condens Matter 12(8A):A413
Saffman PG, Delbrück M (1975) Brownian motion in biological membranes. Proc Natl Acad Sci 72(8):3111–3113
Simons K, Gerl MJ (2010) Revitalizing membrane rafts: new tools and insights. Nat Rev Mol Cell Biol 11(10):688–699
Veatch SL, Keller SL (2003) Separation of liquid phases in giant vesicles of ternary mixtures of phospholipids and cholesterol. Biophys J 85(5):3074–3083
Versteeg HK, Malalasekera W (2007) An introduction to computational fluid dynamics: the finite, vol method. Pearson Education Limited, London (ISBN 9780131274983)
Acknowledgements
I wish to thank Profs. Sarah Keller, Lutz Maibaum, and Michael Schick, and the Amphiphiliphiles Research Group at the University of Washington (UW) for kindly hosting the author during the initial stage of this research. Also, Dr. Camley has been very kind in providing additional details of their calculations. Financial support from Universidad Politécnica de Madrid (Programa Propio I+D+i), to fund this stay, in the Department of Physics, UW, from September 2016 until December 2016 is also acknowledged. HPC computing facilities have received funding from Project (Ministerio de Economía y Competitividad) UNPM13-4E-2075 “Mejora de clúster para estudios fluidomecánicos”, MINECO, Spain.
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Duque, D. Particle method for phase separation on membranes. Microfluid Nanofluid 22, 95 (2018). https://doi.org/10.1007/s10404-018-2115-8
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DOI: https://doi.org/10.1007/s10404-018-2115-8