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Meeting Materials Science & Technology 2019
Symposium Materials vs Minerals: Bridging the Gap between Materials Science and Earth and Planetary Science
Presentation Title Thermodynamics of (111) Twin Complexions in Spinel: A First-principles Study
Author(s) Venkateswara Manga, Thomas Zega
On-Site Speaker (Planned) Venkateswara Manga
Abstract Scope The mineral phases such as MgAl2O4-spinel and CaTiO3-perovskites occurring within primitive meteorites exhibit planar faults such as twins, which offer unique evidence of thermal and deformational histories. The local atomic-disorder, strain and chemistry which are otherwise referred to as complexions associated with these twins can reveal the temperature and pressures under which they formed. To this end, employing density functional theory, we have undertaken a thermodynamic analysis of twin complexions in spinels. In contrast to the bulk spinel, (111) twins favor complete inversion within the mixed-cation layer in their vicinity over the entire temperature range. Further, the (111) twins exhibit favorable thermodynamic driving force for V-segregation leading to V-complexions. In this talk we present the implications of these identified twin complexions to the nebular origins of these faults.


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Molecules, Nanoclusters and Materials in the Extreme Environment of Interstellar Space
Surface Structure and Energetics at the Salt-Brine Interface
Synthesis and Characterization of Ceramic Foams from Earth Abundant Materials
Thermodynamics of (111) Twin Complexions in Spinel: A First-principles Study
Transmission Electron Microscopy of Refractory Minerals from Primitive Chondritic Meteorites
Unraveling the Mechanisms of Pore Space Cementation in Quartz Sandstone: A 3D Phase-field Approach

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