Phase-field modeling of biomineralization in mollusks and corals: Microstructure vs. formation mechanism László Gránásy,1,2,§ László Rátkai,1 Gyula I. Tóth,3 Pupa U. P. A. Gilbert,4 Igor Zlotnikov,5 and Tamás Pusztai1 1 Institute for Solid State Physics and Optics, Wigner Research Centre for Physics, P. O. Box 49, H1525 Budapest, Hungary 2 Brunel Centre of Advanced Solidification Technology, Brunel University, Uxbridge, Middlesex, UB8 3PH, UK 3 Department of Mathematical Sciences, Loughborough University, Loughborough, Leicestershire LE11 3TU, UK 4 Departments of Physics, Chemistry, Geoscience, Materials Science, University of Wisconsin–Madison, Madison, WI 53706, USA. 5 B CUBE–Center for Molecular Bioengineering, Technische Universität Dresden, 01307 Dresden, Germany § Corresponding author:
[email protected] While biological crystallization processes have been studied on the microscale extensively, models addressing the mesoscale aspects of such phenomena are rare. In this work, we investigate whether the phase-field theory developed in materials science for describ- ing complex polycrystalline structures on the mesoscale can be meaningfully adapted to model crystallization in biological systems. We demonstrate the abilities of the phase-field technique by modeling a range of microstructures observed in mollusk shells and coral skeletons, including granular, prismatic, sheet/columnar nacre, and sprinkled spherulitic structures. We also compare two possible micromechanisms of calcification: the classical route via ion-by-ion addition from a fluid state and a non-classical route, crystallization of an amorphous precursor deposited at the solidification front. We show that with appropriate choice of the model parameters microstructures similar to those found in biomineralized systems can be obtained along both routes, though the time- scale of the non-classical route appears to be more realistic.