Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal

The mineral CaF<sub>2</sub> is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is at the forefr...

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Main Authors: Pat Kalita, Paul E. Specht, Justin L. Brown, Lena M. Pacheco, Josh M. Usher, Christopher T. Seagle
Format: Article
Language:English
Published: MDPI AG 2023-09-01
Series:Minerals
Subjects:
Online Access:https://www.mdpi.com/2075-163X/13/9/1226
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author Pat Kalita
Paul E. Specht
Justin L. Brown
Lena M. Pacheco
Josh M. Usher
Christopher T. Seagle
author_facet Pat Kalita
Paul E. Specht
Justin L. Brown
Lena M. Pacheco
Josh M. Usher
Christopher T. Seagle
author_sort Pat Kalita
collection DOAJ
description The mineral CaF<sub>2</sub> is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is at the forefront of condensed matter physics, both for its theoretical importance and its relevance to technological applications at extreme conditions of pressure and temperature. Here we probe the α → γ → α structural transformations taking place over the nanosecond timescale of a dynamic event, beginning-to-end: from the principal shock Hugoniot state, followed by a quasi-steady off-Hugoniot release state, and finally the unsteady return to near-ambient conditions. We present quantitative, atomic-scale data of the unfolding of the dynamically driven phase transition and its subsequent reversal close to the α/γ phase boundary. Dynamic loading with a two-stage gas gun is coupled with in situ time-resolved synchrotron X-ray diffraction and with continuum scale velocimetry at the Dynamic Compression Sector (DCS), Advanced Photon Source, Argonne National Laboratory. Our results demonstrate the time dependence of phase transitions and highlight the need for modeling of transition kinetics in dynamically driven processes.
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spelling doaj.art-8621d644d6f047439560bccd81245b152023-11-19T12:06:05ZengMDPI AGMinerals2075-163X2023-09-01139122610.3390/min13091226Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic CrystalPat Kalita0Paul E. Specht1Justin L. Brown2Lena M. Pacheco3Josh M. Usher4Christopher T. Seagle5Sandia National Laboratories, Albuquerque, NM 87125, USASandia National Laboratories, Albuquerque, NM 87125, USASandia National Laboratories, Albuquerque, NM 87125, USASandia National Laboratories, Albuquerque, NM 87125, USASandia National Laboratories, Albuquerque, NM 87125, USASandia National Laboratories, Albuquerque, NM 87125, USAThe mineral CaF<sub>2</sub> is the archetype of the α fluorite structure and its high-pressure phase transition to γ cotunnite is an ideal test bed for exploring the effects of kinetics. The inter-disciplinary topic of the kinetics of dynamically driven phase transitions is at the forefront of condensed matter physics, both for its theoretical importance and its relevance to technological applications at extreme conditions of pressure and temperature. Here we probe the α → γ → α structural transformations taking place over the nanosecond timescale of a dynamic event, beginning-to-end: from the principal shock Hugoniot state, followed by a quasi-steady off-Hugoniot release state, and finally the unsteady return to near-ambient conditions. We present quantitative, atomic-scale data of the unfolding of the dynamically driven phase transition and its subsequent reversal close to the α/γ phase boundary. Dynamic loading with a two-stage gas gun is coupled with in situ time-resolved synchrotron X-ray diffraction and with continuum scale velocimetry at the Dynamic Compression Sector (DCS), Advanced Photon Source, Argonne National Laboratory. Our results demonstrate the time dependence of phase transitions and highlight the need for modeling of transition kinetics in dynamically driven processes.https://www.mdpi.com/2075-163X/13/9/1226dynamic compressionkineticsnanosecond X-ray diffractionfluoritephase transition
spellingShingle Pat Kalita
Paul E. Specht
Justin L. Brown
Lena M. Pacheco
Josh M. Usher
Christopher T. Seagle
Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
Minerals
dynamic compression
kinetics
nanosecond X-ray diffraction
fluorite
phase transition
title Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
title_full Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
title_fullStr Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
title_full_unstemmed Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
title_short Real-Time Atomic Scale Kinetics of a Dynamic Event in a Model Ionic Crystal
title_sort real time atomic scale kinetics of a dynamic event in a model ionic crystal
topic dynamic compression
kinetics
nanosecond X-ray diffraction
fluorite
phase transition
url https://www.mdpi.com/2075-163X/13/9/1226
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