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Correlated Multimodal in situ Gas-Metal Alloy Surface Reaction Studies


EMSL Project ID
51168

Abstract

This project will conduct a comprehensive demonstration of PNNL capabilities for multimodal in situ chemical imaging of structural, compositional and chemical state changes on metallic alloy surfaces during exposure to reactive gaseous environments at high temperature. For a selected model and commercial alloy material and chosen gas pressure, time of exposure and temperature, we will demonstrate 1) the ability to study the gas induced change in structure of near surface regions using in situ gas reaction cell in ETEM. 2) Also demonstrate the study of the changes to the composition of the surface and sub-surface regions of the same alloy for the same exposure condition in the environmental reaction chamber associated with APT. 3) Then for the same alloy demonstrate the analysis of the oxidation state variation using in situ gas reaction cells at XANES beamlines at ALS. We will also enable a direct correlation of the three datasets of time dependent variation of structure, composition and chemical state of the same material. Also this project will develop a framework for the usage of multimodal in situ results obtained from this project for future development of DFT/molecular dynamics simulations for analyzing the stability of the gas-metal alloy reaction products as well as its time dependent variation.

Project Details

Start Date
2019-10-10
End Date
2020-09-30
Status
Closed

Team

Principal Investigator

Arun Devaraj
Institution
Pacific Northwest National Laboratory

Co-Investigator(s)

Daniel Perea
Institution
Environmental Molecular Sciences Laboratory

Team Members

Bharat Gwalani
Institution
Pacific Northwest National Laboratory

Elizabeth Kautz
Institution
Pacific Northwest National Laboratory

Miao Song
Institution
Pacific Northwest National Laboratory

Jia Liu
Institution
Environmental Molecular Sciences Laboratory

Daniel Schreiber
Institution
Pacific Northwest National Laboratory

Libor Kovarik
Institution
Pacific Northwest National Laboratory