no code implementations • 18 Oct 2018 • Christopher J. Bartel, Alan W. Weimer, Stephan Lany, Charles B. Musgrave, Aaron M. Holder
This analysis shows that the decomposition into elemental forms is rarely the competing reaction that determines compound stability and that approximately two-thirds of decomposition reactions involve no elemental phases.
Materials Science
1 code implementation • 24 Sep 2018 • Wenhao Sun, Christopher Bartel, Elisabetta Arca, Sage Bauers, Bethany Matthews, Bernardo Orvañanos, Bor-Rong Chen, Michael F. Toney, Laura T. Schelhas, William Tumas, Janet Tate, Andriy Zakutayev, Stephan Lany, Aaron Holder, Gerbrand Ceder
Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry.
Materials Science
no code implementations • 21 May 2018 • Christopher J. Bartel, Samantha L. Millican, Ann M. Deml, John R. Rumptz, William Tumas, Alan W. Weimer, Stephan Lany, Vladan Stevanović, Charles B. Musgrave, Aaron M. Holder
Using the resulting predicted thermochemical data, we generate thousands of temperature-dependent phase diagrams to provide insights into the effects of temperature and composition on materials synthesizability and stability and to establish the temperature-dependent scale of metastability for inorganic compounds.
Materials Science
