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多纳米粒子穿越磷脂膜
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作者 夏萍萍 单月 +3 位作者 何林李 季永运 王向红 李士本 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2020年第4期468-476,I0002,共10页
本文采用耗散粒子动力学模拟方法研究了多纳米粒子与溶液中的磷脂膜相互作用.模拟中选择纳米颗粒的形状分别为球状和柱状,并且在动力学过程中给它们设置了不同的初始速度.根据纳米粒子穿膜在动力学过程中体现出不同的特性,分别定义了几... 本文采用耗散粒子动力学模拟方法研究了多纳米粒子与溶液中的磷脂膜相互作用.模拟中选择纳米颗粒的形状分别为球状和柱状,并且在动力学过程中给它们设置了不同的初始速度.根据纳米粒子穿膜在动力学过程中体现出不同的特性,分别定义了几种粒子穿越磷脂的模式,并且基于粒子之间的相互作用强度和粒子初始速度,描绘了穿膜模式的详细相图.本文还进一步研究了体系能量、迴旋半径等参数在不同穿越模式中的动力学过程.研究结果有助于人们理解纳米颗粒穿膜在生命活动过程中的作用. 展开更多
关键词 多纳米粒子 磷脂膜 穿越模式 动力学过程
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Controllable laning phase for oppositely driven disk systems
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作者 刘琳 李珂 +2 位作者 周晓琳 何林李 章林溪 《Chinese Physics B》 SCIE EI CAS CSCD 2019年第12期123-129,共7页
A two-dimensional binary driven disk system embedded by impermeable tilted plates is investigated through nonequilibrium computer simulations. It is well known that a binary disk system in which two particle species a... A two-dimensional binary driven disk system embedded by impermeable tilted plates is investigated through nonequilibrium computer simulations. It is well known that a binary disk system in which two particle species are driven in opposite directions exhibits jammed, phase separated, disordered, and laning states. The presence of tilted plates can not only advance the formation of laning phase, but also effectively stabilize laning phase by suppressing massively drifting behavior perpendicular to the driving force. The lane width distribution can be controlled easily by the interplate distance. The collective behavior of driven particles in laning phase is guided by the funnel-shaped confinements constituted by the neighboring tilted plates. Our results provide the important clues for investigating the mechanism of laning formation in driven system. 展开更多
关键词 driven system tilted plates laning phase drifting behavior
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链刚性和剪切场对环形聚合物熔体中纳米颗粒分散和空间分布的影响 被引量:2
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作者 Dan WANG Feng-qing LI +2 位作者 Xiang-hong WANG Shi-ben LI lin-li he 《Journal of Zhejiang University-Science A(Applied Physics & Engineering)》 SCIE EI CAS CSCD 2020年第3期229-239,共11页
目的:一般情况下,纳米粒子在环形聚合物熔体中处于聚集状态。本文通过增加链刚性或施加稳定的剪切场来诱导纳米粒子在环形聚合物熔体中的聚集-分散转变,使环形聚合物中的纳米粒子达到最优的分散状态。创新点:同时改变链刚性和剪切场强度... 目的:一般情况下,纳米粒子在环形聚合物熔体中处于聚集状态。本文通过增加链刚性或施加稳定的剪切场来诱导纳米粒子在环形聚合物熔体中的聚集-分散转变,使环形聚合物中的纳米粒子达到最优的分散状态。创新点:同时改变链刚性和剪切场强度,诱导纳米粒子在分散的同时进行有序排列。方法:利用分子动力学模拟方法,研究纳米粒子在环形聚合物熔体中的分散和空间分布。结论:1.在较弱的高分子/纳米粒子(polymer-NP)相互作用力下,增加环链的刚性或施加剪切场,可以诱导纳米粒子(NPs)从聚集态向分散态过渡。2.增加链的刚性可以提高NPs在环形聚合物熔体中的分散度;NPs被半刚性(或棒状)环形聚合物链包裹,有效地避免了NPs间的聚集,促使其分散。3.随着剪切场强度的增加,聚集的NPs也会因polymer-NP相互作用、NP-NP相互作用以及剪切场之间的竞争而趋于分散;由于polymer-NP相互作用强,所以NPs的空间分布具有良好的有序性和分散性。4.同时考虑剪切场和链刚性,可有效提高NPs在环形聚合物熔体中的分散度和空间分布,而链刚性的增加干扰了NPs的有序结构。 展开更多
关键词 环形聚合物 纳米复合材料 链刚性 剪切场 分子动力学
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Liquid-crystal Assembly of Semiflexible-coil/Homopolymer Blends: a Dissipative Particle Dynamics Study
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作者 Yan-Yan Wang Qing-Liang Song lin-li he 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2018年第10期1200-1206,共7页
The liquid-crystal assembly of semiflexible-coil diblock copolymers with coil or semiflexible homopolymers is studied by dissipative particle dynamics simulation. Phase diagrams of the blends and orientation ordering ... The liquid-crystal assembly of semiflexible-coil diblock copolymers with coil or semiflexible homopolymers is studied by dissipative particle dynamics simulation. Phase diagrams of the blends and orientation ordering parameters among semiflexible blocks are constructed as a function of chain stiffness and homopolymer volume fraction. For semiflexible-coil/coil blends with varying stiffness of semiflexible blocks, we display the rich phase behaviors of the system transited from coil-coil/coil to rod-coil/coil blends. The disorder- lamellae or lamellae-liquid crystalline transition and "dry brush" phenomenon induced by coil homopolymers are observed. For semiflexible-coil/semiflexible blends, adding semiflexible homopolymers also leads to a disorder-order transition and even a transition between monolayer and bilayer smectic-A phase. The results demonstrate that blending homopolymers into semiflexible copolymers can induce liquid-crystal assembly and even improve the orientation ordering of semiflexible blocks effectively. 展开更多
关键词 Liquid-crystal assembly Semiflexible-coil HOMOPOLYMERS ORIENTATION
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