中碳<strong>Nb</strong>合金化钢液析碳化物的析出行为

中碳Nb合金化钢液析碳化物的析出行为

梁炫, 侯廷平, 张东, 谭昕暘, 吴开明

Precipitation Behavior of Primary Carbides in Medium Carbon Nb-Alloyed Steel

LIANG Xuan, HOU Tingping, ZHANG Dong, TAN Xinyang, WU Kaiming

表3 NbC、Nb和C在0 K、0 Pa结构优化后的晶格常数、晶胞角度和形成能

Table 3 Optimized lattice constants, cell angles and formation energy of NbC, Nb, and C at 0 K, 0 Pa

Species	Lattice constant	Cell angle / (^o)			Formation energy kJ·mol^-1
	10^-1 nm	α	β	γ	Formation energy kJ·mol^-1
NbC	a = b = c = 4.505	90	90	90	-101.12
	4.47^[35], 4.471^[36], 4.45^[37]				-104.3^[14], -121.58^[38]
Nb	a = b = c = 3.322	90	90	90	-
C	a = 2.466, b = 2.466, c = 8.261	90	90	120	-