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Your search keyword '"Beauvais, Michelle L."' showing total 12 results
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12 results on '"Beauvais, Michelle L."'

1. Validation of non-negative matrix factorization for assessment of atomic pair-distribution function (PDF) data in a real-time streaming context

Author

Liu, Chia-Hao, Wright, Christopher J., Gu, Ran, Bandi, Sasaank, Wustrow, Allison, Todd, Paul K., O'Nolan, Daniel, Beauvais, Michelle L., Neilson, James R., Chupas, Peter J., Chapman, Karena W., and Billinge, Simon J. L.

Subjects
Condensed Matter - Materials Science, Computer Science - Machine Learning
Abstract

We validate the use of matrix factorization for the automatic identification of relevant components from atomic pair distribution function (PDF) data. We also present a newly developed software infrastructure for analyzing the PDF data arriving in streaming manner. We then apply two matrix factorization techniques, Principal Component Analysis (PCA) and Non-negative Matrix Factorization (NMF), to study simulated and experiment datasets in the context of in situ experiment.

Published
2020

6. Real-Time Multiscale Imaging of Heterogeneous Multistage Reactions: Insights into Nanoscale TiO2Synthesis

Author

Sanchez Monserrate, Bryan A., Beauvais, Michelle L., Vornholt, Simon M., Chupas, Peter J., Parise, John B., and Chapman, Karena W.

Abstract

Hydrothermal methods are widely used to synthesize functional inorganic materials. The interplay between the reactive species, solution chemistry, and the nanoscale product makes it challenging to control the reaction pathway to achieve a uniform product. Here, we resolve the heterogeneity that arises during hydrothermal synthesis across different length scales. We combine spatially resolved in situX-ray pair distribution function (PDF) and small-angle X-ray scattering analysis, which are sensitive to structure on the atomic and nanoscale, with a novel time-lapse optical imaging strategy that reveals heterogeneity and phase separations across the entire reaction. For TiO2synthesis viahydrothermal hydrolysis of TiCl4, we identify multiple cycles of TiO2formation and separation that contribute to nonuniformity in the polymorphic product. The PDF data show that the characteristics of TiO2formed during each formation–separation cycle differ, contributing to the ongoing challenge of precisely identifying reaction controls. The imaging strategy pioneered here provides an efficient in situmeans to systematically compare how the reaction evolves under different chemical conditions, thereby advancing our understanding of functional inorganic material synthesis.

Published
2024
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9. Validation of non-negative matrix factorization for rapid assessment of large sets of atomic pair distribution function data

Author

Liu, Chia-Hao, primary, Wright, Christopher J., additional, Gu, Ran, additional, Bandi, Sasaank, additional, Wustrow, Allison, additional, Todd, Paul K., additional, O'Nolan, Daniel, additional, Beauvais, Michelle L., additional, Neilson, James R., additional, Chupas, Peter J., additional, Chapman, Karena W., additional, and Billinge, Simon J. L., additional

Published
2021
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12. Structure, Dynamics, and Reactivity for Light Alkane Oxidation of Fe(II) Sites Situated in the Nodes of a Metal–Organic Framework

Author

Simons, Matthew C., primary, Vitillo, Jenny G., additional, Babucci, Melike, additional, Hoffman, Adam S., additional, Boubnov, Alexey, additional, Beauvais, Michelle L., additional, Chen, Zhihengyu, additional, Cramer, Christopher J., additional, Chapman, Karena W., additional, Bare, Simon R., additional, Gates, Bruce C., additional, Lu, Connie C., additional, Gagliardi, Laura, additional, and Bhan, Aditya, additional

Published
2019
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