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Because of the good performance, polyethylene is widely used in the material industry. However, the chemical defects of the polyethylene have a badly influence in the dielectric properties of the polyethylene. Therefore, the study of dielectric properties of polyethylene with different chemical defects is essential. In this paper the polyethylene with defects is calculated by the molecular dynamics...
alpha-beta phase transition of quartz has a strong impact on its dielectric properties. This paper introduces molecular dynamics to simulate the phase transition of alpha-beta quartz. Firstly, build the alpha-quartz model, and then simulate the dynamical property in ensemble NPT at different temperatures. With varied temperatures, the values of structure properties like bond length and bond angle...
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