GRADIENT VARIATION OF COMPOSITION AND QUANTUM CHEMISTRY CALCULATION OF （Ti-Nb）C-Ni COMPOSITE
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition1995年第2期
论文作者：闽新民 蔡克峰 袁润章
文章页码：17 - 21
摘 要：<正>（Ti,Nb）C Ni composite is prepared.Theanalyses of SEM,EPMA and TEM/EDAX show that （Ti,Nb）C-Ni consists of three phases,which are called interior,transitional and Ni phases respectively.Several models arecalculated by self-consistent-field variational Xa（SCF-DV-Xa）me thod,one of the quantum chemistry calculatingmethods.The calculated results show that when Ni elementincreases,the bond orders（measures of strength of covalentbonding）of Ti-C and Ni-C in the models decrease corre-spondingly,which is to say that there is a gradient variation of the covalent bond in the transitional phase which is compat-ible with both the interior and Ni phases.It is beneficial for improving the mechanical properties of the materials.
闽新民，蔡克峰，袁润章
摘 要：<正>（Ti,Nb）C Ni composite is prepared.Theanalyses of SEM,EPMA and TEM/EDAX show that （Ti,Nb）C-Ni consists of three phases,which are called interior,transitional and Ni phases respectively.Several models arecalculated by self-consistent-field variational Xa（SCF-DV-Xa）me thod,one of the quantum chemistry calculatingmethods.The calculated results show that when Ni elementincreases,the bond orders（measures of strength of covalentbonding）of Ti-C and Ni-C in the models decrease corre-spondingly,which is to say that there is a gradient variation of the covalent bond in the transitional phase which is compat-ible with both the interior and Ni phases.It is beneficial for improving the mechanical properties of the materials.
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