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
SpeciesLattice constantCell angle / (o)

Formation energy

kJ·mol-1

10-1 nmαβγ
NbCa = b = c = 4.505909090-101.12
4.47[35], 4.471[36], 4.45[37]-104.3[14], -121.58[38]
Nba = b = c = 3.322909090-
Ca = 2.466, b = 2.466, c = 8.2619090120-