What do we learn from the local geometry of glass-forming liquids?

被引:279
作者
Starr, FW [1 ]
Sastry, S
Douglas, JF
Glotzer, SC
机构
[1] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA
[2] Natl Inst Stand & Technol, Ctr Theoret & Computat Mat Sci, Gaithersburg, MD 20899 USA
[3] Jawaharlal Nehru Ctr Adv Sci Res, Bangalore 560064, Karnataka, India
[4] Univ Michigan, Dept Chem Engn & Mat Sci, Ann Arbor, MI 48109 USA
[5] Univ Michigan, Dept Engn, Ann Arbor, MI 48109 USA
关键词
D O I
10.1103/PhysRevLett.89.125501
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We examine the local geometry of a simulated glass-forming polymer melt. Using the Voronoi construction, we find that the distributions of Voronoi volume P(u(v)) and asphericity P(a) appear to be universal properties of dense liquids, supporting the use of packing approaches to understand liquid properties. We also calculate the average free volume [u(f)] along a path of constant density and find that [u(f)] extrapolates to zero at the same temperature T-0 that the extrapolated relaxation time diverges. We relate [u(f)] to the Debye-Waller factor, which is measurable by neutron scattering.
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页数:4
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