回转半径
蒙特卡罗方法
可见的
统计物理学
聚合物
回转
张量(固有定义)
工作(物理)
曲面(拓扑)
航程(航空)
半径
材料科学
热力学
物理
计算机科学
几何学
数学
统计
量子力学
复合材料
计算机安全
作者
Handan Arkın,Wolfhard Janke
出处
期刊:Physical review
[American Physical Society]
日期:2017-12-26
卷期号:96 (6): 062504-062504
被引量:14
标识
DOI:10.1103/physreve.96.062504
摘要
The conformational behavior of a coarse-grained finite polymer chain near an attractive spherical surface was investigated by means of multicanonical Monte Carlo computer simulations. In a detailed analysis of canonical equilibrium data over a wide range of sphere radius and temperature, we have constructed entire phase diagrams both for nongrafted and end-grafted polymers. For the identification of the conformational phases, we have calculated several energetic and structural observables such as gyration tensor based shape parameters and their fluctuations by canonical statistical analysis. Despite the simplicity of our model, it qualitatively represents in the considered parameter range real systems that are studied in experiments. The work discussed here could have experimental implications from protein-ligand interactions to designing nanosmart materials.
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