Metabasin dynamics of supercooled polymer melt

doi:10.1088/1674-1056/ab4e82

中国物理B ›› 2019, Vol. 28 ›› Issue (12): 126101-126101.doi: 10.1088/1674-1056/ab4e82

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇下一篇

Metabasin dynamics of supercooled polymer melt

Jian Li(李健), Bo-Kai Zhang(张博凯)

1 Department of Physics and Electronic Engineering, Heze University, Heze 274015, China;
2 Department of Physics, Zhejiang Sci-Tech University, Hangzhou 310018, China

收稿日期:2019-08-28 修回日期:2019-10-13 出版日期:2019-12-05 发布日期:2019-12-05
通讯作者: Jian Li E-mail:lijian2006400457@126.com
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11804085) and the Doctoral Foundation of Heze University, China (Grant No. XY18BS13).

Metabasin dynamics of supercooled polymer melt

Jian Li(李健)¹, Bo-Kai Zhang(张博凯)²

1 Department of Physics and Electronic Engineering, Heze University, Heze 274015, China;
2 Department of Physics, Zhejiang Sci-Tech University, Hangzhou 310018, China

Received:2019-08-28 Revised:2019-10-13 Online:2019-12-05 Published:2019-12-05
Contact: Jian Li E-mail:lijian2006400457@126.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11804085) and the Doctoral Foundation of Heze University, China (Grant No. XY18BS13).

摘要/Abstract

摘要： We employ molecular dynamic simulation to investigate metabasin dynamics for supercooled polymer melt. We find that, in a small system, the α-relaxation process is composed of a few crossing events that the monomers hops from one metabasin to another. Each crossing event is very rapid and involves a democratic movement of many particles, whereas such collective motion is not string-like. Evaluation on the contributions of metabasin exploration and democratic movement shows that the structural relaxation is mostly governed by the latter. Our calculated results show that the metabasin-metabasin transitions are not the main reason of spatially dynamical heterogeneity. It is different from the binary Lennard-Jones mixture model in which the metabasin-metabasin transitions are relevant for the spatially dynamical heterogeneity.

关键词: metabasin dynamics, distance matrix, democratic movement, dynamic heterogeneity

Abstract: We employ molecular dynamic simulation to investigate metabasin dynamics for supercooled polymer melt. We find that, in a small system, the α-relaxation process is composed of a few crossing events that the monomers hops from one metabasin to another. Each crossing event is very rapid and involves a democratic movement of many particles, whereas such collective motion is not string-like. Evaluation on the contributions of metabasin exploration and democratic movement shows that the structural relaxation is mostly governed by the latter. Our calculated results show that the metabasin-metabasin transitions are not the main reason of spatially dynamical heterogeneity. It is different from the binary Lennard-Jones mixture model in which the metabasin-metabasin transitions are relevant for the spatially dynamical heterogeneity.

Key words: metabasin dynamics, distance matrix, democratic movement, dynamic heterogeneity

中图分类号: (Glasses)

61.43.Fs

64.70.kj (Glasses) 64.70.km (Polymers) 64.70.pj (Polymers)

李健, 张博凯. Metabasin dynamics of supercooled polymer melt[J]. 中国物理B, 2019, 28(12): 126101-126101.

Jian Li(李健), Bo-Kai Zhang(张博凯). Metabasin dynamics of supercooled polymer melt[J]. Chin. Phys. B, 2019, 28(12): 126101-126101.

参考文献 36

[35]	Wan W B, Lv H H, Merlitz H and Wu C X 2016 Chin. Phys. B 25 106101 doi: 10.1088/1674-1056/25/10/106101
[1]	Angell C A 1991 J. Non-Cryst. Solids 131-133 13
[36]	Appignanesi G A and Montani R A 2004 J. Non-Cryst. Solids 337 109 doi: 10.1016/j.jnoncrysol.2004.03.125
[2]	Ediger M D 2000 Annu. Rev. Phys. Chem. 51 99 doi: 10.1146/annurev.physchem.51.1.99
[3]	Debenedetti P G and Stillinger F H 2001 Nature 410 259 doi: 10.1038/35065704
[4]	Wang Y J 2017 Chin. Phys. B 26 014503 doi: 10.1088/1674-1056/26/1/014503
[5]	Ediger M D, Angell C A and Nagel S R 1996 J. Phys. Chem. 100 13200 doi: 10.1021/jp953538d
[6]	Götze W 1999 J. Phys.: Condens. Matter 11 A1
[7]	Ngai K L 2002 Proceedings of the Fourth International Discussion Meeting on Relaxations in Complex Systems (J. Non-Cryst. Solids 2002 307)
[8]	Adam G and Gibbs J H 1965 J. Chem. Phys. 43 139 doi: 10.1063/1.1696442
[9]	Schmidt-Rohr K and Spiess H W 1991 Phys. Rev. Lett. 66 3020 doi: 10.1103/PhysRevLett.66.3020
[10]	Donati C, Douglas J F, Kob W, Plimpton S J, Poole P H and Glotzer S C 1998 Phys. Rev. Lett. 80 2338 doi: 10.1103/PhysRevLett.80.2338
[11]	Richert R 2002 J. Phys.: Condens. Matter 14 R703 doi: 10.1088/0953-8984/14/24/000
[12]	Weeks E R, Crocker J C, Levitt A C, Schofield A and Weitz D A 2000 Science 287 627 doi: 10.1126/science.287.5453.627
[13]	Kegel W K and Blaaderen A V 2000 Science 287 290 doi: 10.1126/science.287.5451.290
[14]	Kob W, Donati C, Plimpton S J, Poole P H and Glotzer S C 1997 Phys. Rev. Lett. 79 2827 doi: 10.1103/PhysRevLett.79.2827
[15]	Butler S and Harrowell P 1991 J. Chem. Phys. 95 4454 doi: 10.1063/1.461768
[16]	Cicerone M T, Blackburn F R and Ediger M D 1995 J. Chem. Phys. 102 471 doi: 10.1063/1.469425
[17]	Debenedetti P G, Truskett T M and Lewis C P 2001 Adv. Chem. Eng. 28 21 doi: 10.1016/S0065-2377(01)28003-X
[18]	Sciortino F 2005 J. Stat. Mech. P05015
[19]	Monthus C and Bouchaud J P 1996 J. Phys. A 29 3847 doi: 10.1088/0305-4470/29/14/012
[20]	Doliwa B and Heuer A 2003 Phys. Rev. E 67 031506 doi: 10.1103/PhysRevE.67.031506
[21]	Vogel M, Doliwa B, Heuer A and Glotzer S C 2004 J. Chem. Phys. 120 4404 doi: 10.1063/1.1644538
[22]	Appignanesi G A, Fris J A R, Montani R A and Kob W 2006 Phys. Rev. Lett. 96 057801 doi: 10.1103/PhysRevLett.96.057801
[23]	Alarcón L M, Frechero M A, Montani R A and Appignanesi G A 2009 Phys. Rev. E 80 026127 doi: 10.1103/PhysRevE.80.026127
[24]	Fris J A R, Appignanesi G A, Nave E L and Sciortino F 2007 Phys. Rev. E 75 041501 doi: 10.1103/PhysRevE.75.041501
[25]	Fris J A R, Appignanesi G A and Weeks E R 2011 Phys. Rev. Lett. 107 065704 doi: 10.1103/PhysRevLett.107.065704
[26]	Li S J, Qian H J and Lu Z Y 2019 Soft Matter 15 4476 doi: 10.1039/C9SM00267G
[27]	Hsu H P and Kremer K 2019 J. Chem. Phys. 150 091101 doi: 10.1063/1.5089417
[28]	Bennemann C, Paul W, Binder K and Dünweg B 1998 Phys. Rev. E 57 843 doi: 10.1103/PhysRevE.57.843
[29]	Gebremichael Y, Schro.der T B, Starr F W and Glotzer S C 2001 Phys. Rev. E 64 051503 doi: 10.1103/PhysRevE.64.051503
[30]	Binder K, Baschnagel J and Paul W 2003 Prog. Polym. Sci. 28 115 doi: 10.1016/S0079-6700(02)00030-8
[31]	Aichele M, Chong S H, Baschnagel J and Fuchs M 2004 Phys. Rev. E 69 061801
[32]	Chong S H, Aichele M, Meyer H, Fuchs M and Baschnagel J 2007 Phys. Rev. E 76 051806 doi: 10.1103/PhysRevE.76.051806
[33]	Jiang Z B, Peng M J, Li L L, Zhou D S, Wang R and Xue G 2015 Chin. Phys. B 24 076801 doi: 10.1088/1674-1056/24/7/076801
[34]	Kremer K and Grest G S 1990 J. Chem. Phys. 92 5057 doi: 10.1063/1.458541
[35]	Wan W B, Lv H H, Merlitz H and Wu C X 2016 Chin. Phys. B 25 106101 doi: 10.1088/1674-1056/25/10/106101
[36]	Appignanesi G A and Montani R A 2004 J. Non-Cryst. Solids 337 109 doi: 10.1016/j.jnoncrysol.2004.03.125

Metabasin dynamics of supercooled polymer melt

Metabasin dynamics of supercooled polymer melt

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