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采用非平衡分子动力学方法,研究由Frenkel-Kontorova模型构建的非对称双链分子结构体系,并考察了温度、链内耦合强度、链间耦合强度以及系统尺寸对体系的热整流效应的影响. 研究表明,低温下非对称双链体系表现出热整流效应;在一定的范围内,链间的耦合和链内的耦合强度越强,体系的热整流效果就越好;随着系统尺寸的增大,热整流效率先减小后增加,最后达到稳定. 非对称双链结构的链接粒子的功率谱行为与单链情形相似,其可以用于对热整流效应的解释.
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关键词:
- 双链分子结构 /
- 热整流 /
- Frenkel-Kontorova模型 /
- 链间相互作用
Using nonequilibrium molecular dynamics simulation, we study the thermal rectification of an asymmetric double-stranded molecular structure system. We investigate the influence of temperature, intra- and inter-chain interaction and the system size on the thermal rectification effect of the asymmetric double- chain system. It is reported that the intra- and the inter-chain interaction have an advantage on the rectification efficiency. The rectification efficiency goes to a stable value at a large system size. This phenomenon is also explained by the power spectra of the inter-particles, which is similar to the situation of the single chain system.-
Keywords:
- double-chains molecular structure /
- thermal rectification /
- Frenkel-Kontorova model /
- inter-chain interaction
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[12] Elmer F J 1994 Phys. Rev. E 50 4470
[13] Hu B, He D, Yang L, Zhang Y 2006 Phys. Rev. E 74 060101
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[16] Wu G, Li B 2007 Phys. Rev. B 76 085424
[17] Xie B, Li H, Hu B 2005 Europhys. Lett. 69 358
[18] Chang C W, Okawa D, Majumdar A, Zell A 2006 Science 314 1121
[19] Li B, Wang L, Casati G 2006 Appl. Phys. Lett. 88 143501
[20] Wang L, Li B 2007 Phys. Rev. Lett. 99 177208
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[22] Terraneo M, Peyrard M, Casati G 2002 Phys. Rev. Lett. 88 094302
[23] Li B, Wang L, Casati G 2004 Phys. Rev. Lett. 93 184301
[24] Lan J and Li B 2006 Phys. Rev. B 74 214305
[25] Nosé S, Chem J 1984 Phys. 81 511
[26] Hoover W G 1985 Phys. Rev. A 31 1695
[27] Zhong W R 2010 Phys. Rev. E 81 061131
[28] Tomi R, Teemu O, Antti-Pekka J 2009 Phys. Rev. B 79 144306
[29] Ming Y, Wang Z X, Ding Z J,Li H M 2010 New J. Phys. 12 103041
[30] Wang J, Li J Y, Zheng Z G 2010 Acta Phys. Sin. 59 476 (in Chinese)[王 军、 李京颖、 郑志刚 2010 59 476]
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[1] Lepri S, Livi R, Politi A 1997 Phys. Rev. Lett. 78 1896
[2] Hatano T 1999 Phys. Rev. Lett. 59 R1
[3] Li B, Zhao H, Hu B 2001 Phys. Rev. Lett. 86 63
[4] Li X X, Tang Y 2006 Acta Phys. Sin. 55 6556 (in Chinese)[李新霞、 唐 翌 2006 55 6556]
[5] Narayan O, Ramaswamy S 2002 Phys. Rev. Lett. 89 200601
[6] Terraneo M, Peyrard M, Casati G 2002 Phys.Rev. Lett. 88 094302
[7] Hu B, Yang L, Zhang Y 2006 Phys. Rev. Lett. 97 124302
[8] Li B, Lan J H, Wang L 2005 Phys. Rev. Lett. 95 104302
[9] Middleton A A 1992 Phys. Rev. Lett. 68 949
[10] Kim J, Choe W, Kim S, Lee H 1994 Phys. Rev. 49 459
[11] Ding W Y 1983 Proc. Am. Math. Soc. 88 341
[12] Elmer F J 1994 Phys. Rev. E 50 4470
[13] Hu B, He D, Yang L, Zhang Y 2006 Phys. Rev. E 74 060101
[14] Lan J H, Li B 2006 Phys. Rev. B 74 214305
[15] Yang N, Li N, Wang L, Li B 2007 Phys. Rev. B 76 020301(R)
[16] Wu G, Li B 2007 Phys. Rev. B 76 085424
[17] Xie B, Li H, Hu B 2005 Europhys. Lett. 69 358
[18] Chang C W, Okawa D, Majumdar A, Zell A 2006 Science 314 1121
[19] Li B, Wang L, Casati G 2006 Appl. Phys. Lett. 88 143501
[20] Wang L, Li B 2007 Phys. Rev. Lett. 99 177208
[21] Dauxois T, Peyrard M, Bishop A R 1993 Phys. Rev. E 47 684
[22] Terraneo M, Peyrard M, Casati G 2002 Phys. Rev. Lett. 88 094302
[23] Li B, Wang L, Casati G 2004 Phys. Rev. Lett. 93 184301
[24] Lan J and Li B 2006 Phys. Rev. B 74 214305
[25] Nosé S, Chem J 1984 Phys. 81 511
[26] Hoover W G 1985 Phys. Rev. A 31 1695
[27] Zhong W R 2010 Phys. Rev. E 81 061131
[28] Tomi R, Teemu O, Antti-Pekka J 2009 Phys. Rev. B 79 144306
[29] Ming Y, Wang Z X, Ding Z J,Li H M 2010 New J. Phys. 12 103041
[30] Wang J, Li J Y, Zheng Z G 2010 Acta Phys. Sin. 59 476 (in Chinese)[王 军、 李京颖、 郑志刚 2010 59 476]
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