新型G99高强高韧钢中渗碳体的电子结构
ELECTRONIC STRUCTURE OF CEMENTITE OF NEW G99 HIGH STRENGTH AND HIGH TOUGHNESS STEEL
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摘要: 应用Recursion方法计算了新型G99高强高韧钢中渗碳体、合金渗碳体的电子结构。给出了不同合金元素的电子态密度、原子价、轨道电子数和体系的费米能、结构能。讨论了渗碳体、合金渗碳体的价键性质及其对G99钢性能的影响。Abstract: The electronic structures of cementtite and alloy cementtite in new G99 high strength and high toughness steel were calculated using Recursion method The local density of state, atom Valence, the number of orbit electrons of different alloy elements and the Fermi energy, structure energy of cementite, alloy cementite were presented The valence features of cementite and alloy cementite and their effects on physical properties of G99 steel were discussed.
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