Modifying thermal transport in electrically conducting polymers: Effects of stretching and combining polymer chains

Journal of Chemical Physics

Volumn 136, Issue 4, 2012, Pages

  Pal, Souvik ^a   Balasubramanian, Ganesh ^a,b   Puri, Ishwar K ^a  

^a Virginia Polytechnic Institute and State University   (United States)

^b DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADJACENT CHAINS; BONDED INTERACTIONS; CHAIN ORIENTATION; ELECTRICALLY CONDUCTING POLYMER; MECHANICAL STRAIN; MINIMUM VALUE; MOLECULAR CONFIGURATIONS; MOLECULAR DYNAMICS SIMULATIONS; ORIENTATION FACTORS; PHONON THERMAL TRANSPORT; POLYMER CHAINS; STRAIN DEPENDENCE; THERMAL TRANSPORT; THERMOELECTRICS;

ACETYLENE; MOLECULAR DYNAMICS; POLYANILINE;

THERMAL CONDUCTIVITY;

EID: 84861594184     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3678848     Document Type: Article

References (36)

1. G. Inzelt, M. Pineri, J. W. Schultze, and M. A. Vorotyntsev, Electrochim. Acta 45, 2403 (2000). 10.1016/S0013-4686(00)00329-7
2. J. Jin, Q. Wang, and M. A. Haque, J. Phys. D: Appl. Phys. 43, 205302 (2010). 10.1088/0022-3727/43/20/205302
3. Y. W. Park, C. O. Yoon, C. H. Lee, H. Shirakawa, Y. Suezaki, and K. Akagi, Synth. Met. 28, D27 (1989). 10.1016/0379-6779(89)90670-X
4. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1966).
5. A. Henry and G. Chen, Phys. Rev. Lett. 101, 235502 (2008). 10.1103/PhysRevLett.101.235502
6. J. Liu and R. Yang, Phys. Rev. B 81, 174122 (2010). 10.1103/PhysRevB.81. 174122
7. W. P. Hsieh, M. D. Losego, P. V. Braun, S. Shenogin, P. Keblinski, and D. G. Cahill, Phys. Rev. B 83, 174205 (2011). 10.1103/PhysRevB.83.174205
8. K. E. Goodson, Science 315, 342 (2007). 10.1126/science.1138067
9. M. J. Kelly, D. E. Wolfe, J. Singh, J. Eldridge, D. M. Zhu, and R. Miller, Int. J. Appl. Ceram. Technol. 3, 81 (2006). 10.1111/j.1744-7402.2006. 02073.x
10. A. Pirovano, A. L. Lacaita, A. Benvenuti, F. Pellizzer, and R. Bez, IEEE Trans. Electron Devices 51, 452 (2004). 10.1109/TED.2003.823243
11. R. Venkatasubramanian, Phys. Rev. B 61, 3091 (2000). 10.1103/PhysRevB.61. 3091
12. S. Bhowmick and V. B. Shenoy, J. Chem. Phys. 125, 164513 (2006). 10.1063/1.2361287
13. W. Kim, J. Zide, A. Gossard, D. Klenov, S. Stemmer, A. Shakouri, and A. Majumdar, Phys. Rev. Lett. 96, 045901 (2006). 10.1103/PhysRevLett.96.045901
14. N. M. Lacevic, R. S. Maxwell, A. Saab, and R. H. Gee, J. Phys. Chem. B 110, 3588 (2005). 10.1021/jp054845e
15. M. Roberge, R. E. Prudhomme, and J. Brisson, Polymer 45, 1401 (2004). 10.1016/j.polymer.2003.04.005
16. B. Ni, T. Watanabe, and S. R. Phillpot, J. Phys.: Condens. Matter 21, 084219 (2009). 10.1088/0953-8984/21/8/084219
17. T. Terao, E. Lussetti, and F. Müller-Plathe, Phys. Rev. E 75, 057701 (2007). 10.1103/PhysRevE.75.057701
18. S. J. Plimpton, J. Comput. Phys. 117, 1 (1995). 10.1006/jcph.1995.1039
19. M. M. Ostwal, T. T. Tsotsis, and M. Sahimi, J. Chem. Phys. 126, 124903 (2007). 10.1063/1.2714555
20. S. Shenogin and R. Ozisik, Polymer 46, 4397 (2005). 10.1016/j.polymer. 2005.03.015
21. Z. I. Takehara, K. Kanamura, S. I. Yonezawa, and T. Hanawa, J. Power Sources 25, 277 (1989). 10.1016/0378-7753(89)85015-3
22. W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics 14, 33 (1996). 10.1016/0263-7855(96)00018-5
23. F. Müller-Plathe, J. Chem. Phys. 106, 6082 (1997). 10.1063/1.473271
24. F. P. Incropera, Fundamentals of Heat and Mass Transfer (Wiley, Hoboken, NJ, 2007).
25. See supplementary material at http://dx.doi.org/10.1063/1.3678848 E-JCPSA6-136-003205 for details of all the necessary force field parameters used to calculate the total potential energy of the system as described in the Appendix.
26. J. Jin, M. P. Manoharan, Q. Wang, and M. A. Haque, Appl. Phys. Lett. 95, 033113 (2009). 10.1063/1.3184786
27. D. Moses and A. Denenstein, Phys. Rev. B 30, 2090 (1984). 10.1103/PhysRevB.30.2090
28. G. Chen, J. Heat Transfer 119, 220 (1997). 10.1115/1.2824212
29. S. Kumar and G. C. Vradis, J. Heat Transfer 116, 28 (1994). 10.1115/1.2910879
30. C. L. Choy, Polymer 18, 984 (1977). 10.1016/0032-3861(77)90002-7
31. G. Balasubramanian and I. K. Puri, Appl. Phys. Lett. 99, 013116 (2011). 10.1063/1.3607477
32. G. Balasubramanian, I. K. Puri, M. C. Bohm, and F. Leroy, Nanoscale 3, 3714 (2011). 10.1039/c1nr10421g
33. J. L. White and J. E. Spruiell, Polym. Eng. Sci. 23, 247 (1983). 10.1002/pen.760230503
34. M. Springborg, Phys. Rev. B 37, 1218 (1988). 10.1103/PhysRevB.37.1218
35. H. Sun, J. Phys. Chem. B 102, 7338 (1998). 10.1021/jp980939v
36. R. W. Hockney and J. W. Eastwood, Computer Simulation Using Particles (McGraw-Hill, New York, 1981).