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Dynamic behaviors of long and curved microtubules based on an atomistic-continuum model

机译:基于原子连续模型的长和弯曲微管的动态行为

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This paper analyses dynamic response and vibration characteristics of long microtubules. Mechanical aspects of material properties are described based on an atomistic-continuum model and the use of a higher-order Cauchy-Born rule that bridges the scale between microstructures and continuum description. Long microtubules are simulated with one-dimensional strips, which include microscale interaction among protein molecules and can be dealt with using continuum mechanical approaches under higher-order gradient continuum scheme. Based on Hamilton's principle, the differential equation of motion is established and is incorporated in the higher-order gradient continuum mesh-free framework. The performances of structures of microtubules are determined by direct numerical integration in time domain and applying the Fourier transform technique in frequency domain. Time-histories and frequency spec-trums are obtained to determine vibration characteristics. Curved shapes of microtubules are involved in the study. Different cases are considered and compared, and the results are presented and discussed.
机译:本文分析了长微管的动态响应和振动特性。材料特性的机械方面是基于原子连续模型和高阶Cauchy-Born规则的使用来描述的,该规则在微观结构和连续体描述之间架起了桥梁。用一维条带模拟长微管,其中包括蛋白质分子之间的微尺度相互作用,可以使用高阶梯度连续体方案下的连续体机械方法进行处理。基于汉密尔顿原理,建立了运动微分方程,并将其纳入了高阶梯度连续介质无网格框架。微管结构的性能通过时域直接数值积分并在频域中应用傅里叶变换技术来确定。获得时间历史和频谱图以确定振动特性。研究中涉及微管的弯曲形状。考虑并比较了不同的情况,并介绍和讨论了结果。

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