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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 Combining the Tools of Atomic-scale Characterization with Density-functional Theory and Thermodynamic Modeling to Unravel the Origins of the First Solar-system Solids
Author(s) Thomas Zega, Venkat Manga, Krishna Muralidharan
On-Site Speaker (Planned) Thomas Zega
Abstract Scope Primitive meteorites contain abundant refractory mineral phases, some of which are radiometrically age dated to 4.5673 billion years old and represent the first solids formed in our solar system. Materials such as spinel and perovskite, MgAl2O4 and CaTiO3, respectively, are among such phases. Equilibrium thermodynamics makes predictions that they and other materials should form in our solar system, based on its bulk composition, in a very specific sequence. Using aberration-corrected scanning transmission electron microscopy, we have identified nanostructures at odds with predictions, which includes variations in solute chemistry, solute segregation, and twinned structures. We have employed density-functional theory, which can account for such variations, with thermodynamic modeling to evaluate the temperatures and pressures under which these and related phases form. We suggest that such an approach can open up parameter space that was heretofore difficult to access via experimental methods and will discuss our results at the meeting.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Atomistic Insights into Grain Collision Dynamics in the Solar Nebula
Combining the Tools of Atomic-scale Characterization with Density-functional Theory and Thermodynamic Modeling to Unravel the Origins of the First Solar-system Solids
Deciphering the Energy Landscapes of Solvated Interfaces: An Integrative Approach of Experimental Thermodynamics and Computational Chemistry
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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