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Molecular dynamic simulation of the mechanical …

Available online Journal of Chemical and Pharmaceutical Research, 2014, 6(6):1534-1539. ISSN : 0975-7384. Research Article CODEN(USA) : JCPRC5. Molecular dynamic simulation of the mechanical properties of PI/SiO2 nanocomposite based on materials studio Yuzhen Mo1, Hui Zhang1 and Jiachu Xu1,2*. 1. Department of Mechanics and Civil Engineering, Jinan University, Guangzhou, China 2. Key Lab of Disaster Forecast and Control in Engineering, Ministry of Education, Jinan University, Guangzhou, China _____. ABSTRACT. The initial unit cell models of PI/SiO2 Nanocomposite and pure polyimide were built by Materials Studio, the stiffness matrix and mechanical parameters such as Young modulus, shear modulus, bulk modulus and Poisson ratio of the unit cells were achieved after Molecular dynamic (MD) optimizations and calculations.

Available online www.jocpr.com Journal of Chemical and Pharmaceutical Research, 2014, 6(6):1534-1539 Research Article ISSN : 0975-7384 CODEN(USA) : JCPRC5

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  Dynamics, Mechanical, Simulation, Dynamic simulation of the mechanical

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