梯度刷基底上的反硬趋性液滴运动
Antidurotaxis Droplet Motion onto Gradient Brush Substrates
AI总结：
本研究提出一种新型聚合物刷基底设计，通过分子动力学模拟发现其可实现液滴从硬到软的反硬趋性运动，该运动由接枝密度梯度调控、源于界面能最小化，为液滴自主运动相关应用提供新思路。
摘要：
硬趋性运动是一种引人注目的现象，表现为纳米物体在基底不同刚度区域之间的自主运动。这种运动通常沿刚度梯度从基底较软区域向较硬区域发生。本文提出一种新型聚合物刷基底设计，可实现反硬趋性液滴运动，即液滴从基底较硬区域向较软区域运动。通过对粗粒化模型开展大量分子动力学模拟，我们发现反硬趋性仅由刷的接枝密度梯度调控，且对与基底存在强吸引力的流体（低表面能）更为有利。反硬趋性运动的驱动力是液滴-基底界面能的最小化，这源于液滴向刷层的渗透。因此，我们预计该基底设计将为微流控、节能及生物学应用中的液滴自主运动领域提供新的认识与可能性。
英文摘要：
Durotaxis motion is a spectacular phenomenon manifesting itself by the autonomous motion of a nano-object between parts of a substrate with different stiffness. This motion usually takes place along a stiffness gradient from softer to stiffer parts of the substrate. Here, we propose a new design of a polymer brush substrate that demonstrates antidurotaxis droplet motion, that is, droplet motion from stiffer to softer parts of the substrate. By carrying out extensive molecular dynamics simulation of a coarse-grained model, we find that antidurotaxis is solely controlled by the gradient in the grafting density of the brush and is favorable for fluids with a strong attraction to the substrate (low surface energy). The driving force of the antidurotaxial motion is the minimization of the droplet-substrate interfacial energy, which is attributed to the penetration of the droplet into the brush. Thus, we anticipate that the proposed substrate design offers a new understanding and possibilities in the area of autonomous motion of droplets for applications in microfluidics, energy conservation, and biology.
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