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Rolling Dynamics of Nanoscale Elastic Shells Driven by Active Particles
ACS Central Science ( IF 12.7 ) Pub Date : 2018-11-01 00:00:00 , DOI: 10.1021/acscentsci.8b00632 Yuan Tian 1 , Heyi Liang 1 , Andrey V Dobrynin 1
ACS Central Science ( IF 12.7 ) Pub Date : 2018-11-01 00:00:00 , DOI: 10.1021/acscentsci.8b00632 Yuan Tian 1 , Heyi Liang 1 , Andrey V Dobrynin 1
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Self-propelled elastic shells capable of transducing energy to rolling motion could have potential applications as drug delivery vehicles. To understand the dynamics of the nanoscale size elastic shells, we performed molecular dynamics simulations of shells filled with a mixture of active and passive beads placed in contact with an elastic substrate. The shell skin is made of cross-linked polymer chains. The energy transduction from active beads to elastic shell results in stationary, steady rolling, and accelerating states depending on the strength of the shell–substrate adhesion and the magnitude of a force applied to the active beads. In the stationary state, the torque produced by a friction (rolling resistance) force in the contact area balances that due to the external force generated by the active beads, and the shell sticks to the substrate. In the steady rolling state, a rolling friction force balances the driving force, and the shell maintains a constant rolling velocity. The scaling relationship between the magnitude of the driving force and the shell velocity reflects a viscoelastic nature of the shell skin deformation dynamics. In the accelerating state, the energy supplied to a system by active beads exceeds the energy dissipation due to viscoelastic shell deformation in the contact area. Furthermore, the contact area of the shell with a substrate decreases with increasing shell instantaneous velocity.
中文翻译：
活性粒子驱动的纳米级弹性壳的滚动动力学
能够将能量转换为滚动运动的自驱动弹性壳可能具有作为药物输送工具的潜在应用。为了了解纳米级弹性壳的动力学，我们对填充有主动和被动珠子混合物并与弹性基底接触的壳进行了分子动力学模拟。壳皮由交联聚合物链制成。从活性珠到弹性壳的能量转换导致静止、稳定滚动和加速状态，具体取决于壳-基底粘附的强度以及施加到活性珠的力的大小。在静止状态下，接触区域的摩擦力（滚动阻力）产生的扭矩与活性珠子产生的外力所产生的扭矩相平衡，并且壳体粘附到基材上。在稳定滚动状态下，滚动摩擦力平衡驱动力，壳体保持恒定的滚动速度。驱动力大小和壳体速度之间的比例关系反映了壳体蒙皮变形动力学的粘弹性性质。在加速状态下，活性珠提供给系统的能量超过了由于接触区域的粘弹性壳变形而耗散的能量。此外，壳与基底的接触面积随着壳瞬时速度的增加而减小。
更新日期：2018-11-01
中文翻译：
活性粒子驱动的纳米级弹性壳的滚动动力学
能够将能量转换为滚动运动的自驱动弹性壳可能具有作为药物输送工具的潜在应用。为了了解纳米级弹性壳的动力学，我们对填充有主动和被动珠子混合物并与弹性基底接触的壳进行了分子动力学模拟。壳皮由交联聚合物链制成。从活性珠到弹性壳的能量转换导致静止、稳定滚动和加速状态，具体取决于壳-基底粘附的强度以及施加到活性珠的力的大小。在静止状态下，接触区域的摩擦力（滚动阻力）产生的扭矩与活性珠子产生的外力所产生的扭矩相平衡，并且壳体粘附到基材上。在稳定滚动状态下，滚动摩擦力平衡驱动力，壳体保持恒定的滚动速度。驱动力大小和壳体速度之间的比例关系反映了壳体蒙皮变形动力学的粘弹性性质。在加速状态下，活性珠提供给系统的能量超过了由于接触区域的粘弹性壳变形而耗散的能量。此外，壳与基底的接触面积随着壳瞬时速度的增加而减小。
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