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CALPHAD结合关键实验可以探究能源材料体系的多元多相反应。介绍了4个基于不同应用背景的合金体系的评估工作:液相烧结的Si C(LPSSi C)体系、转换型锂离子电池体系、掺杂Cr的Ti Al基合金体系以及Zr基热障涂层体系。研究结果显示:CALPHAD热力学计算结果可以用于指导关键实验设计,从而进一步明确研究体系的相图和热力学性质。获得的实验数据又可以作为精炼CALPHAD模型和改进模型参数的输入条件。精炼后的模型参数构成的热力学数据库可用于计算各种相图(包括等温截面、垂直截面、可以用来计算可信的相图(等温截面、垂直截面及波动图)及液相面投影图。
CALPHAD combined with key experiments to explore the multi-heterogeneous reaction energy material system. The evaluation of four alloy systems based on different application background is introduced. The liquid-phase sintered Si C (LPSSi C) system, lithium-ion battery system, Cr-doped Ti Al-based alloy system and Zr-based thermal barrier coating system. The results show that CALPHAD thermodynamic calculation results can be used to guide the key experimental design, so as to further clarify the phase diagram and thermodynamic properties of the system. The experimental data obtained, in turn, can be used as inputs to refining CALPHAD models and improving model parameters. The refined thermodynamic database of model parameters can be used to calculate various phase diagrams (including isothermal and vertical sections that can be used to calculate credible phase diagrams (isothermal, vertical and undulations) and liquid-phase projections.