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外力诱导下的高分子链相变 被引量:1
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作者 杨志勇 成军 《浙江大学学报(理学版)》 CAS CSCD 北大核心 2009年第3期274-277,281,共5页
采用nPERMis(new pruned-enriched rosenbluth method with importance sampling)算法,研究了吸附在表面的高分子链在外力诱导下的相变行为.以链长N=60的高分子链为例,在外力的作用下相变临界温度比没有外力作用的相变临界温度要低,并... 采用nPERMis(new pruned-enriched rosenbluth method with importance sampling)算法,研究了吸附在表面的高分子链在外力诱导下的相变行为.以链长N=60的高分子链为例,在外力的作用下相变临界温度比没有外力作用的相变临界温度要低,并随外力的增大相变临界温度降低,但比热容峰值会增大.当外力f=1.0或者1.5时,在高温区域高分子链形状发生较大变化,但在低温区由于高分子链内部相互作用和界面的吸附作用,高分子链随温度的降低塌缩成与没有外力作用相同的构象.对于不同的链长,在同一外力的作用下,相变临界温度随链长增大而增大,且比热峰值也增大. 展开更多
关键词 外力诱导 npermis算法 相变
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Translocation of Polymer Chains Through a Channel with Complex Geometries
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作者 Zhi-yong Yang Lin-xi Zhang Jun Cheng 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2008年第6期555-559,共5页
The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels (left channel, middle channel, and right channel, respectively) is investi... The elastic behavior of a single chain transporting through complex channel which can be seen as the combination of three different channels (left channel, middle channel, and right channel, respectively) is investigated using the new pruned-enriched Rosenbluth method with importance sampling. The elastic force during the translocation process is calculated. At the entrance into the middle channel, there is the first plateau in the curve of the elastic force f (f〉0) versus x, here x represents the position of the first monomer along the x-axis direction. When the first monomer moves to a certain position, a second plateau is observed with the elastic force f〈0, which represents spontaneous translocation. The free energy difference between the subchain in the right channel and the subchain in the left channel may drive the transloeation. The influence of chain length and width of the left and right channels on the translocation process are also investigated. From the simulation results, more detailed explanations for the reason why the component translocation time is not the same for different channels can be presented. 展开更多
关键词 Elastic behavior npermis Polymer translocation
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