An Improved High-Throughput Data Processing Based
on Combinatorial Materials Chip Approach for Rapid Construction of
Fe–Cr–Ni Composition-Phase Map
Zhaoyang Zhao
Ying Jin
Peng Shi
Yanpeng Xue
Bingbing Zhao
Yanpeng Zhang
Feifei Huang
Peng Bi
Qingrui Wang
10.1021/acscombsci.9b00149.s002
https://acs.figshare.com/articles/dataset/An_Improved_High-Throughput_Data_Processing_Based_on_Combinatorial_Materials_Chip_Approach_for_Rapid_Construction_of_Fe_Cr_Ni_Composition-Phase_Map/10287380
The
combinatorial materials chip approach is vastly superior to
the conventional one that characterizes one sample at a time in the
efficiency of composition-phase map construction. However, the resolution
of its high-throughput characterization and the correct rate of automated
composition-phase mapping are often affected by inherent experimental
limitations and imperfect automated analyses, respectively. Therefore,
effective data preprocessing and refined automated analysis methods
are required to automatically process huge amounts of experiment data
to score a higher correct rate. In this work, the pixel-by-pixel structural
and compositional characterization of the Fe–Cr–Ni combinatorial
materials chip annealed at 750 °C was performed by microbeam
X-ray at a synchrotron light source and by electron probe microanalysis,
respectively. The severe baseline drift and system noise in the X-ray
diffraction patterns were successfully eliminated by the three-step
automated preprocessing (baseline drift removal, noise elimination,
and baseline correction) proposed, which was beneficial to the subsequent
quantitative analysis of the patterns. Through the injection of human
experience, hierarchy clustering analyses, based on three dissimilarity
measures (the cosine, Pearson correlation coefficient, and Jenson–Shannon
divergence), were further accelerated by the simplified vectorization
of the preprocessed X-ray diffraction patterns. As a result, a correct
rate of 91.15% was reached for the whole map built automatically in
comparison with the one constructed manually, which confirmed that
the present data processing could assist humans to improve and expedite
the processing of X-ray diffraction patterns and was feasible for
composition-phase mapping. The constructed maps were generally consistent
with the corresponding isothermal section of the Fe–Cr–Ni
ternary alloy system in the ASM Alloy Phase Diagram Database except
the inexistence of the σ phase under insufficient annealing.
2019-11-12 00:03:22
composition-phase mapping
preprocessed X-ray diffraction patterns
ASM Alloy Phase Diagram Database
electron probe microanalysis
combinatorial materials chip approach
analyses
characterization
Fe
baseline drift removal
Pearson correlation coefficient
High-Throughput Data Processing
Combinatorial Materials Chip Approach
X-ray diffraction patterns
composition-phase map construction
synchrotron light source
preprocessing
data