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Validity of the Cauchy-Born rule applied to discrete cellular-scale models of biological tissues

机译:Cauchy-Born规则的有效性适用于生物组织的离散细胞规模模型

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摘要

The development of new models of biological tissues that consider cells in a discrete manner is becoming increasingly popular as an alternative to continuum methods based on partial differential equations, although formal relationships between the discrete and continuum frameworks remain to be established. For crystal mechanics, the discrete-to-continuum bridge is often made by assuming that local atom displacements can be mapped homogeneously from the mesoscale deformation gradient, an assumption known as the Cauchy-Born rule (CBR). Although the CBR does not hold exactly for noncrystalline materials, it may still be used as a first-order approximation for analytic calculations of effective stresses or strain energies. In this work, our goal is to investigate numerically the applicability of the CBR to two-dimensional cellular-scale models by assessing the mechanical behavior of model biological tissues, including crystalline (honeycomb) and noncrystalline reference states. The numerical procedure involves applying an affine deformation to the boundary cells and computing the quasistatic position of internal cells. The position of internal cells is then compared with the prediction of the CBR and an average deviation is calculated in the strain domain. For center-based cell models, we show that the CBR holds exactly when the deformation gradient is relatively small and the reference stress-free configuration is defined by a honeycomb lattice. We show further that the CBR may be used approximately when the reference state is perturbed from the honeycomb configuration. By contrast, for vertex-based cell models, a similar analysis reveals that the CBR does not provide a good representation of the tissue mechanics, even when the reference configuration is defined by a honeycomb lattice. The paper concludes with a discussion of the implications of these results for concurrent discrete and continuous modeling, adaptation of atom-to-continuum techniques to biological tissues, and model classification.
机译:作为考虑偏微分方程的连续体方法的替代方法,以离散方式考虑细胞的生物组织新模型的开发正变得越来越流行,尽管离散和连续体框架之间的形式关系尚待建立。对于晶体力学而言,离散到连续体的桥梁通常是通过假设局部原子位移可以从中尺度变形梯度均匀地映射而得出的,该假设被称为柯西-伯恩法则(CBR)。尽管CBR不能完全适用于非晶材料,但仍可以用作有效应力或应变能的解析计算的一阶近似。在这项工作中,我们的目标是通过评估模型生物组织的机械行为,包括结晶(蜂窝)状态和非结晶参考状态,从数值上研究CBR在二维细胞规模模型中的适用性。数值过程包括对边界单元进行仿射变形并计算内部单元的准静态位置。然后将内部单元格的位置与CBR的预测进行比较,并在应变域中计算平均偏差。对于基于中心的单元模型,我们显示出当变形梯度相对较小且参考无应力配置由蜂窝晶格定义时,CBR完全成立。我们进一步显示,当参考状态从蜂窝结构中受到干扰时,可以近似使用CBR。相比之下,对于基于顶点的细胞模型,相似的分析表明,即使参考结构由蜂窝晶格定义,CBR也不能很好地代表组织力学。本文最后讨论了这些结果对并行离散和连续建模,原子到连续体技术对生物组织的适应性以及模型分类的含义。

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