Elastic Lennard-Jones polymers meet clusters: differences and similarities.
Elastic Lennard-Jones polymers meet clusters: differences and similarities.
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DOI：
10.1063/1.3223720
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发表时间：
2009-09
期刊：
影响因子：
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通讯作者：
Stefan Schnabel;M. Bachmann;W. Janke
中科院分区：
文献类型：
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作者：
Stefan Schnabel;M. Bachmann;W. Janke
我们通过多规范蒙特卡罗方法的复杂变体，研究具有 Lennard-Jones 单体-单体相互作用和非谐弹簧的弹性柔性非晶格聚合物的固-固和固-液转变。我们发现低温行为强烈且非单调地依赖于系统尺寸，并且与未结合的原子簇表现出广泛的相似性。特别强调二十面体和非二十面体低能聚合物形态的分类。
We investigate solid-solid and solid-liquid transitions of elastic flexible off-lattice polymers with Lennard-Jones monomer-monomer interaction and anharmonic springs by means of sophisticated variants of multicanonical Monte Carlo methods. We find that the low-temperature behavior depends strongly and nonmonotonically on the system size and exhibits broad similarities to unbound atomic clusters. Particular emphasis is dedicated to the classification of icosahedral and nonicosahedral low-energy polymer morphologies.