投稿XRD的问题
编辑意见:In section 3.1, the authors stated that according to the Cards of PDF in MDI Jade 5.0, the lattice constants of Al3Er and Al3Yb intermetallics are respectively 4.212 Å and 4.202 Å. Based on the above expression, it seems that the author did not refine their own XRD results, but citing the lattice constant values from the standard PDF Cards. However, in Table 1, the authors referred these values as their own experimental data, which is not the appropriate. I recommend the authors refine their own XRD results to obtain the corresponding lattice constants.
本人文章:Fig. 1 shows XRD patterns of the Al-10 wt.% Er and Al-10 wt.% Yb alloys. As shown in Fig. 1, there are two kinds of peaks in the XRD patterns of the Al-10 wt.% Er/Yb alloys, one is the peak of matrix Al and the other is for Al3Er/Yb intermetallic. According to the Cards of PDF in MDI Jade 5.0, the lattice constants of Al3Er and Al3Yb intermetallics are respectively 4.212 Å and 4.202 Å.
本人问题: I recommend the authors refine their own XRD results to obtain the corresponding lattice constants.我理解的意思是编辑让我改善XRD结果,有点蒙,怎么改善?是让我通过XRD的结果自己计算晶格常数么?请各位虫友帮帮忙,小弟在此谢过了。
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通过物相匹配,扣背底,平滑,拟合曲线,计算晶格常数等一系列操作,会有一个晶格常数的计算值。
你在jade里把你的xrd数据和标准卡片比对上了,这个只能大致说明你的结构和它很近,而你直接用了卡片里的晶格常数,这个是不科学的,因为晶格常数会随温度、择优取向等变动。尤其当你用的两个卡片只差0.01埃,其实同一种物质的不同卡片(也就是不同人在不同条件下测的)可能都不只差这些。
所以审稿人要求你根据自己的xrd测得的数据,去“算”出晶格常数,也就是加入温度、择优取向等一系列参数拟合出来,这个过程就叫精修,refinement。
再具体你可以搜一下相关资料,但友情提示一下,如果你完全不懂想要自己搞定精修这件事,在短时间内应该不可能,xrd数据可能也要重新测试。建议你找一下有没有熟人懂的或者测试机构做一下,收费可能也不便宜。
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I recommend the authors refine their own XRD results to obtain the corresponding lattice constants
需要使用软件对XRD数据精修 (我也不会精修)
这是专业问题,到晶体相关版块才能有专业人士解答
4.212 ? and 4.202 ?,这两个数据是怎么来的,审稿人认为不是你计算出来的