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Calculation of Phase Equilibria Based on the Levenberg-Marquardt Method

Ruijie ZHANG , Lei LI , Zhongwei CHEN , Zhi HE , Wanqi JIE

材料科学技术(英)

The Levenberg-Marquardt method, the best algorithm to obtain the least-square solution of nonlinear equations, is applied to calculate the stable phase equilibria. It can get the best combination between robustness and speed of the calculations. Its application to ternary Al-Si-Mg system is executed in detail. The calculated phase equilibria agree well with the experimental results. Furthermore, the Levenberg-Marquardt method is not sensitive to the initial values.

关键词: Levenberg-Marquardt method , null , null

Effects of Electric Field on the Electronic Structures in Electroluminescent Polymers

Rouli FU , Junhao CHU , Rongtang FU , Lei LI , Xin SUN

材料科学技术(英)

The effects of the electric field on the electronic structures in electroluminescent polymers were studied with the tight-binding model including electron-phonon interactions plus an applied electric field. It is found that the applied electric field changes both the energy levels and the electronic wavefunctions in electroluminescent polymers: applied field induces two localized electronic states near the midgap, and also polarizes these localized electronic states, so the polarization occurs at weak or moderate fields. In addition, the strong field will dissociate a bipolaron exciton and lead to photoluminescence quenching.

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