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Mechanics of Active Mechano-Chemical Responsive Polymers

机译:活性机械化学敏感聚合物的力学

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The need for smart materials in advanced applications, has promoted significantly the research in the field of responsive (or active) materials. They are capable of some physical response to external stimuli, such as temperature, pH, light, mechanical stress, etc. so they can adapt themselves to the surrounding environment. In the present paper, we propose a mechanical model to describe the response of polymers containing mechanically responsive molecules (mechanophores), having the ability to assume two distinct geometrically stable configurations under mechanical actions or due to a change of the environment's pH. When linked to the polymer's chains, under a proper mechanical stress, they switch from one state to the other, triggering a macroscopic deformation of the material. Such an internal deformation, driven by the mechanophores' activation, can be exploited to get a desired functionality of the polymer. Our model starts from the mechanical behavior at the microscopic level, and through the mechanics of a single chain and chain statistics, it is scaled-up to the (mesoscopic) continuum level. An energy-based approach is adopted: the free energy W is obtained by adding up the contribution of the network deformation (W_(net))he mixing term related to the solvent uptake (W_(mlx)) and of the switching of the hosted responsive molecules (W_(sw)). Numerical simulations demonstrate that the material response under chemical or mechanical stimuli, shows a permanent deformation due to the activation of the switchable molecules, enabling the design of smart self-adaptive polymers.
机译:需要智能材料在高级应用,已经在反应(或活动)材料领域促进显著的研究。它们能够对外部刺激,例如温度,pH,光,机械应力等一些物理响应的,这样他们可以自己适应周围的环境。在本论文中,我们提出了一种力学模型描述含有机械响应的分子(mechanophores)聚合物的反应中,具有承担下机械作用或由于两种不同的几何形状稳定构对环境的pH变化的能力。当链接到聚合物的链,合适的机械应力下,它们从一个状态切换到另一个,触发材料的宏观变形。这种内部变形,由mechanophores'激活驱动,可以被利用来获得聚合物的期望的功能。我们的模型从在微观水平的机械性能开始,并且通过单链和链统计力学,它是按比例放大的到(介观)连续电平。基于能量的方法被采用:自由能量W是通过添加了网络变形的贡献(W_(净值)),他与该溶剂吸收混合术语(W_(MLX))和所述托管的切换得到响应分子(W_(SW))。数值仿真表明,在化学或机械刺激的响应材料,示出了永久变形,由于可切换分子的活化,从而使智能自适应聚合物的设计。

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