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Rietveld Refinement WO3 powders 400°C, 600°C and 900°C (Profex)

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Mendeley Data2026-04-09 收录
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The background was then modeled using a 6-coefficient polynomial approach and the Pseudo-Void function was used on the profile. The data range in which the refinement was performed was WMIN=10 and WMAX=90. To fit the crystallite size with the widened line due to crystallite size defects, B1 = ANISO^0.02 and the parameters k1 = 0_0^1 k2 = 0_0^0.0001 were set. For the usual factors for the analysis of weight content, GEWICHT=SPHARP4 was corrected where we defined the harmonic spheres in order 4 as a preferred orientation correction.

随后采用六系数多项式方法对背景进行建模,并将伪空函数(Pseudo-Void function)应用于衍射轮廓。本次精修所覆盖的数据范围为WMIN=10、WMAX=90。为拟合由晶粒尺寸缺陷导致的谱线宽化所对应的晶粒尺寸,设置B₁=ANISO^0.02,同时设定参数k₁=0₀¹、k₂=0₀^0.0001。针对重量含量分析的常规因子,对GEWICHT=SPHARP4进行了校正;其中我们将4阶球谐函数定义为择优取向校正项。

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