Structural changes of silica particles in elongated rubber by two-dimensional small-angle X-ray scattering and extended reverse Monte Carlo analysis
Structural changes of silica particles in elongated rubber by two-dimensional small-angle X-ray scattering and extended reverse Monte Carlo analysis
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DOI：
10.1007/s00397-008-0272-5
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发表时间：
2008-07-01
期刊：
影响因子：
2.3
通讯作者：
Amemiya, Yoshiyuki
中科院分区：
文献类型：
--
作者：
Hagita, Katsumi;Arai, Takashi;Amemiya, Yoshiyuki
采用二维图样反蒙特卡罗方法研究了单轴拉伸橡胶中二氧化硅颗粒填料的结构变化。我们计算了三维构象的球形二氧化硅颗粒使用一系列的二维模式的结构因素在伸长。我们使用的结构因子是从实验观察到的延伸比epsilon = 0.0, 0.5, 1.0和1.5的结构因子中插值而来。为了使粒子连续运动，我们将延伸率设置为小间隔Delta ε = 0.001。发现粒子的结构变化似乎是可靠的，至少在小的epsilon区域，因为没有观察到像布朗运动这样的伪运动。
Two-dimensional pattern reverse Monte Carlo method is applied to investigate structural changes of silica particle filler in uniaxially elongated rubber. We calculated three-dimensional conformations of spherical silica particles using a series of two-dimensional patterns of structure factors during elongation. The structure factors we used are inter polated from experimentally observed structure factors for the elongation ratio epsilon = 0.0, 0.5, 1.0, and 1.5. To make a continuous motion of particles, we set the elongation ratio with small interval Delta epsilon = 0.001. It is found that the structural change of the particles seem to be reliable at least for small epsilon regions because spurious motions like the Brownian motions are not observed.