Departamento de Física, Universidade Federal do Viçosa, CEP 36570-000, Viçosa, MG, Brazil.
Soft Matter. 2021 Mar 18;17(10):2920-2930. doi: 10.1039/d0sm01976c.
We present an efficient computational methodology to obtain the viscoelastic response of dilute solutions of semiflexible filaments. By considering an approach based on the fluctuation-dissipation theorem, we were able to evaluate the dynamical properties of probe particles immersed in solutions of semiflexible filaments from relaxation simulations with a relatively low computational cost and higher precision in comparison to those based on stochastic dynamics. We used a microrheological approach to obtain the complex shear modulus and the complex viscosity of the solution through its compliance which was obtained directly from the dynamical properties of a probe particle attached to an effective medium described by a mesoscopic model, i.e., an effective filament model (EFM). The relaxation simulations were applied to assess the effects of the bending energy on the viscoelasticity of the semiflexible filament solutions, and our methodology was validated by comparing the numerical results to the experimental data on DNA and collagen solutions.
我们提出了一种有效的计算方法来获得稀溶液中半刚性细丝的粘弹性响应。通过考虑基于涨落耗散定理的方法,我们能够从松弛模拟中评估探针粒子在半刚性细丝溶液中的动力学性质,与基于随机动力学的方法相比,这种方法具有相对较低的计算成本和更高的精度。我们使用微观流变学方法通过其柔量来获得溶液的复剪切模量和复黏度,该柔量直接来自于通过介观模型(即有效细丝模型)描述的有效介质中附着的探针粒子的动力学特性。松弛模拟用于评估弯曲能对半刚性细丝溶液粘弹性的影响,我们的方法通过将数值结果与 DNA 和胶原蛋白溶液的实验数据进行比较来验证。