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Calculation and Analysis of Valence Electron Structure of Mo_2C and V_4C_3 in Hot Working Die Steel

机译:热作模具钢中Mo_2C和V_4C_3的价电子结构的计算与分析

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摘要

Taking the hot working die steel (HWDS) 4Cr3Mo2NbVNi as an example, the phase electron structures (PES) and the biphase interface electron structures (BIES) of Mo_2C and V_4C_3, which are two kinds of important carbides precipitated during tempering in steel were calculated, on the basis of the empirical electron theory of solids and molecules and the improved TFD theory. The influence of Mo_2C and V_4C_3 on the mechanical properties of HWDS has been analyzed at electron structure level, and the fundamental reason that the characteristic of the PES and the BIES of carbides decides the behavior of them has been revealed.
机译:以热作模具钢(HWDS)4Cr3Mo2NbVNi为例,计算出钢回火过程中析出的两种重要碳化物Mo_2C和V_4C_3的相电子结构(PES)和双相界面电子结构(BIES),基于固体和分子的经验电子理论以及改进的TFD理论。在电子结构层面分析了Mo_2C和V_4C_3对HWDS力学性能的影响,揭示了PES和BIES碳化物的特性决定其行为的根本原因。

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