Collapse transition of short polymers on simple cubic lattice

27th IUPAP Conference on Computational Physics

物理学;计算机科学

Jaleel, Asweel Ahmed A.^1 ; Satyanarayana, S.V.M.^1

Department of Physics, Pondicherry University, Puducherry, India^1

关键词: Coil conformations;    Collapse transitions;    Conformation change;    Denatured proteins;    Partition function zeros;    Self avoiding walk;    Simple-cubic lattices;    Solvent concentration;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/759/1/012015/pdf
DOI  :  10.1088/1742-6596/759/1/012015

学科分类：计算机科学（综合）

来源: IOP

【 摘 要 】

Denatured proteins and polymers exhibit two types of conformations in solution. Extended coil conformation and compact globule conformation. There is a phase transition associated with these conformation change as a function of temperature or solvent concentration etc. These phase transition is usually studied using Self Avoiding Walk(SAW). We have generated Self avoiding walk using chain growth algorithm. Here we have compared our generated density of states with Exact enumerated data of the same. Also we have presented the Pseudo order parameter method to identify collapse temperature. The results are compared with Partition function zero analysis.