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Mode-coupling theory and molecular dynamics simulation for heat conduction in a chain with transverse motions | | Jian-Sheng Wang
; Baowen Li
; | | Date: |
5 Mar 2004 | | Journal: | Phys. Rev. E 70 (2004) 021204. | | Subject: | Statistical Mechanics | cond-mat.stat-mech | | Abstract: | We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is analyzed by mode-coupling theory and compared with molecular dynamics. We find very good, quantitative agreement for the damping of modes between a full mode-coupling theory and molecular dynamics result, and a simplified mode-coupling theory gives qualitative description of the damping. The theories predict generically that thermal conductance diverges as N^{1/3} as the size N increases for systems terminated with heat baths at the ends. The N^{2/5} dependence is also observed in molecular dynamics which we attribute to crossover effect. | | Source: | arXiv, cond-mat/0403162 | | Other source: | [GID 837074] pmid15447482 | | Services: | Forum | Review | PDF | Favorites | |
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