The distribution of tetravalent network glasses

被引:74
作者
Speedy, RJ [1 ]
Debenedetti, PG [1 ]
机构
[1] PRINCETON UNIV, DEPT CHEM ENGN, PRINCETON, NJ 08544 USA
关键词
D O I
10.1080/00268979650025849
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A model tetravalent network fluid, crystal and many glasses are studied by molecular dynamics simulation. 171 glasses were made by compressing the fluid with five orders of magnitude variation in the quench rate. The pressure and entropy of each glass are expressed as functions of a single variable, the quench rate dependent limiting density, z(0) of the rigidly jammed state where the pressure diverges. The number of possible glasses with limiting density z(0) is approximated by a Gaussian distribution N-g(z(0))dz(0)=exp{1.2N}exp(-123N(Delta z(0))(2)}dz(0), where Delta z(0)=z(0)-0.766 and N is the number of molecules. That distribution implies that ln{N-g(z(0))}/N-->0 as z(0)-->0.864, which suggests that an ideal glass transition would occur to a glass with z(0)=0.864 with slow compression rates, if the fluid did not freeze. We show that the free energy and pressure of the dense fluid can be simply expressed in terms of the properties of the glasses.
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收藏
页码:1293 / 1316
页数:24
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