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首页> 外文期刊>The Journal of Chemical Physics >Nonlocal viscosity of polymer melts approaching their glassy state
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Nonlocal viscosity of polymer melts approaching their glassy state

机译:聚合物熔体的非局部粘度接近玻璃态

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The nonlocal viscosity kernels of polymer melts have been determined by means of equilibrium molecular dynamics upon cooling toward the glass transition. Previous results for the temperature dependence of the self-diffusion coefficient and the value of the glass transition temperature are confirmed. We find that it is essential to include the attractive part of the interatomic potential in order to observe a strong glass transition. The width of the reciprocal space kernel decreases dramatically near the glass transition, being described by a deltalike function near and below the glass transition, leading to a very broad kernel in physical space. Thus, spatial nonlocality turns out to play an important role in polymeric fluids at temperatures near the glass transition temperature.
机译:借助于冷却到玻璃化转变时的平衡分子动力学已经确定了聚合物熔体的非局部粘度核。确认了关于自扩散系数的温度依赖性和玻璃化转变温度的值的先前结果。我们发现,必须包含原子间势的吸引部分,才能观察到强烈的玻璃化转变。互易空间核的宽度在玻璃化转变附近显着减小,由玻璃化转变附近和以下的三角函数描述,导致物理空间中的核非常宽。因此,空间非局部性证明在接近玻璃化转变温度的温度下在聚合物流体中起重要作用。

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