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《Materials Review》 2014-01
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Investigation of the Application of Thermodynamic Calculation and Kinetic Simulation in Materials Design

LI Yuechan;LIN Bilan;College of Materials Science and Engineering,Xiamen University of Technology;  
The research status of materials design is reviewed.Structure evolutions of composite materials, gradient materials,and polymer solar cells under different processing conditions are predicted using thermodynamic calculation and kinetic simulation.Combining the design philosophy of materials,a materials design method to obtain materials with required properties by changing the concentrations and quenching conditions of the mixtures to control the structure evolution during preparation,is also proposed.
【Fund】: 福建省自然科学基金(2012J05101;2012J05099);; 福建省教育厅A类科技项目计划(JA11234)
【CateGory Index】: TB30
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