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Thermodynamics Consortium

Research ยท Davis, California
Website: www.thermocon.org

Thermodynamics forms the fundamental underpinning of reactivity, transformation, and stability. It places controls on process ... es such as synthesis, corrosion and degradation, environmental transport, catalysis, and biological reactivity. In the materials field, the wealth of new compounds, polymorphs, hybrid organic-inorganic hybrid materials and metal organic frameworks, high-entropy alloys, multiphase and nano materials, attained by a variety of nonequilibrium synthesis and processing methodologies, has outrun available thermodynamic data, hampering understanding of synthetic pathways, materials compatibility and longevity during use, and degradation, corrosion, dissolution, as well as environmental contamination and transport. The goals: To elevate awareness of how useful and essential modern thermodynamics is to many fields and to provide easy access to collaborations. To exchange best practices and scientific discoveries among the users of different experimental thermodynamic instrumentation. To work with other database developers and users to create an interactive and constantly easily updated database of thermodynamic parameters for complex materials. To enhance the relations and the two-way communication with the manufacturers of equipment and industry in general, who will respond to the needs of their customers. To help formulate ideas and plans for various large proposals such as the expected upcoming call for DOE EFRCs; to explore other opportunities for funding. To bring together computational thermodynamicists, representing both first principles molecular level calculations (DFT, MD etc.) and phase diagram computation (CalPhaD, big data, materials genome, etc.), crystallographers, spectroscopists, and other people working on complex structure and reactivity to coalesce a truly interactive consortium. To organize workshops, short courses, sessions at meetings, topical journal issues, etc. read more

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