Theoretical Sciences Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur Campus, Bangalore 560 064, India.
Phys Rev Lett. 2009 Dec 11;103(24):248305. doi: 10.1103/PhysRevLett.103.248305.
We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number and suppresses the liquid-gas phase coexistence curve. The low density, low temperature equilibrium gel that can thus form exhibits interesting dynamical behavior, including compressed exponential relaxation of density correlations. We show that motion responsible for such relaxation has ballistic character, and arises from the motion of chain segments in the gel without the restructuring of the gel network.
我们报告了一个模型凝胶的分子动力学模拟研究,其相互作用势能是通过修改用于硅的三体斯蒂林格-韦伯模型势获得的。这种修改降低了平均配位数并抑制了液-气相共存曲线。因此可以形成的低密度、低温平衡凝胶表现出有趣的动力学行为,包括密度相关函数的压缩指数弛豫。我们表明,导致这种弛豫的运动具有弹道特征,并且源自凝胶中链段的运动,而无需凝胶网络的重构。