Nonlinear creep in a polymer glass

被引:86
作者
Riggleman, Robert A. [1 ]
Schweizer, Kenneth S. [2 ,3 ]
de Pablo, Juan J. [1 ]
机构
[1] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA
[2] Univ Illinois, Dept Mat Sci, Urbana, IL 61801 USA
[3] Univ Illinois, Dept Chem, Urbana, IL 61801 USA
关键词
D O I
10.1021/ma8001214
中图分类号
O63 [高分子化学(高聚物)];
学科分类号
070305 ; 080501 ; 081704 ;
摘要
Results of molecular dynamics simulations are presented for the nonlinear creep response of a model polymer glass under both tension and compression. The structure of the material was examined as a function of time; it is found that the overall structure, as measured by the structure factor, changes appreciably during the deformation. The intensity of the first peak is decreased under stress and the polymer chains are deformed. The dynamics are studied using both the bond autocorrelation function and the incoherent dynamic structure factor. It is found that the dynamics are strongly correlated with the strain rate in the material. Additionally, each measure of the dynamics is uniformly enhanced by the same amount. Previous simulations have shown that the enhanced dynamics do not correlate with changes in the volume in any clear manner; here, evidence from simulations indicates that the enhanced dynamics correlate with the energy of the inherent structures of the material, suggesting that changes in the materials' position on the potential energy landscape lead to the observed enhanced dynamics. Finally, the results of simulations are discussed in terms of two theories of stress-induced dynamics.
引用
收藏
页码:4969 / 4977
页数:9
相关论文
共 41 条
[1]   Investigating the influence of different thermodynamic paths on the structural relaxation in a glass-forming polymer melt [J].
Bennemann, C ;
Paul, W ;
Baschnagel, J ;
Binder, K .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1999, 11 (10) :2179-2192
[2]   GROMACS - A MESSAGE-PASSING PARALLEL MOLECULAR-DYNAMICS IMPLEMENTATION [J].
BERENDSEN, HJC ;
VANDERSPOEL, D ;
VANDRUNEN, R .
COMPUTER PHYSICS COMMUNICATIONS, 1995, 91 (1-3) :43-56
[3]   Nonequilibrium dynamics and fluctuation-dissipation relation in a sheared fluid [J].
Berthier, L ;
Barrat, JL .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (14) :6228-6242
[4]   Enhanced mobility accompanies the active deformation of a glassy amorphous polymer [J].
Capaldi, FM ;
Boyce, MC ;
Rutledge, GC .
PHYSICAL REVIEW LETTERS, 2002, 89 (17) :1-175505
[5]   Molecular response of a glassy polymer to active deformation [J].
Capaldi, FM ;
Boyce, MC ;
Rutledge, GC .
POLYMER, 2004, 45 (04) :1391-1399
[6]  
Chen K., UNPUB
[7]   Stress-enhanced mobility and dynamic yielding in polymer glasses [J].
Chen, Kang ;
Schweizer, Kenneth S. .
EPL, 2007, 79 (02)
[8]   Viscosity, plasticity, and diffusion as examples of absolute reaction rates [J].
Eyring, H .
JOURNAL OF CHEMICAL PHYSICS, 1936, 4 (04) :283-291
[9]   Shear-induced changes of the potential energy landscape underlying n-butane liquids and glasses [J].
Frey, MM ;
Lacks, DJ .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (06) :2909-2915
[10]   VISCOUS LIQUIDS AND GLASS TRANSITION - A POTENTIAL ENERGY BARRIER PICTURE [J].
GOLDSTEIN, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) :3728-+