论文标题

软体动物和珊瑚生物矿化的相位模型:微结构与形成机理

Phase-field modeling of biomineralization in mollusks and corals: Microstructure vs. formation mechanism

论文作者

Gránásy, László, Rátkai, László, Tóth, Gyula I., Gilbert, Pupa U. P. A., Zlotnikov, Igor, Pusztai, Tamás

论文摘要

尽管已经在微观尺度上进行了广泛研究生物结晶过程,但针对这种现象的中尺度方面的模型很少见。在这项工作中,我们研究了材料科学中为描述中尺度上的复杂多晶结构开发的相田间理论是否可以有意义地适应生物系统中的模型结晶。我们通过对在软体动物壳和珊瑚骨架中观察到的一系列微观结构进行建模,包括颗粒状,棱镜,棱镜,板/柱状NACRE和洒水的球形结构,证明了相田技术的能力。我们还比较了钙化的两种可能的微观力学:通过流体状态和非经典途径的离子添加的经典途径,即沉积在固体阵线上的无定形前体的结晶。我们表明,通过适当选择模型参数的微观结构类似于在两种路线上类似于生物矿化系统中的微观结构,尽管非古典路线的时间尺度似乎更现实。模拟和自然生物矿物的相似之处表明,在生物体中观察到的巨大生物学复杂性下,可以用简单的数学来理解生物结构的基本设计原理,并通过相位斑点理论进行模拟。

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 describing 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 timescale of the non-classical route appears to be more realistic. The resemblance of the simulated and natural biominerals suggests that, underneath the immense biological complexity observed in living organisms, the underlying design principles for biological structures may be understood with simple math, and simulated by phase-field theory.

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