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超硬材料C_3N_4的X射线衍射图谱模拟

Simulation of Superhard Material C3N4 with X-ray Diffraction Atlas
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摘要 运用材料模拟软件Materials Studio计算模拟了-αC3N4及β-C3N4的晶体结构及X射线衍射图谱,并将实验所得的XRD数据与模拟结果进行了对比分析。通过数值模拟,可以为实验结果提供标准的参考数据,并检验实验结果。 Using material simulation software Materials Studio, α-C3N4 and β-C3N4＇s crystal structure, X- ray diffraction atlas were calculated and simulated. Then it was compared with the results gained through the experiment. Numerical simulation could offer official reference data for the experiment, and it could also examine the results of the experiment.
作者 张海龙 柴涛 刘玉存 于雁武 王新武
机构地区 中北大学化工与环境学院
出处 《化工技术与开发》 CAS 2009年第9期49-51,共3页 Technology & Development of Chemical Industry
关键词 C3N4 X射线衍射 模拟 C3N4 X-ray diffraction analysis simulation
分类号 TB3 [一般工业技术—材料科学与工程]
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二级参考文献48

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化工技术与开发
2009年 第9期

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