C3S EBSD数据库的扩展及其结构计算

Jian Tian, Tao Wei, Hai'jun Xu
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摘要

研究了水泥熟料主要成分硅酸三钙(C3S,3CaO•SiO2)的晶体形态、晶体结构和原子配位。通过x射线粉末衍射分析和相关计算,获得了C3S精密晶胞参数和原子坐标,建立了C3S晶体结构的三维模型。通过EBSD测试建立了C3S晶体电子后向散射衍射(EBSD)精密晶体学数据库[1],为从取向角度研究C3S奠定了基础[2-3]。我们对C3S晶体的电子后向散射衍射图(EBSP)进行了标准化,并利用该数据库对其进行了EBSD相识别测试,其结论与x射线粉末衍射测试计算结果吻合较好。
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Extensity of C3S EBSD Database and Its Structure Calculation
Crystal morphology, crystal structure and atomic coordinates of tricalcium silicate (C3S,3CaO • SiO2)which is the main components of cement clinker were studied. Through X-ray powder diffraction analysis and associated calculation, we gained the C3S precision cell parameters and atomic coordinates, then built three-dimensional models of C3S crystal structure. A C3S crystal electron backscatter scattering diffraction(EBSD)precise crystallographic database is established by EBSD test, [1] and it lays the foundation of study C3S from orientation angles[2-3], we standardized electron backscatter diffraction pattern (EBSP) of C3S crystal and took its EBSD phase identification test too by the database and its conclusions tally with that of X-ray powder diffraction test and calculation quite well.
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