Modelling of high-temperature order-disorder phase transitions of non-stoichiometric Mo₂C and Ti₂C from first principles

Chemistry

• Disordered Structure 100%
• Order Disorder Transition 96%
• Nonstoichiometric Compound 89%
• Interatomic Potential 58%
• Monte Carlo Method 42%
• Carbon Atom 37%
• Disorder 34%
• Cubic Space Group 33%
• Electrical Conductivity 30%
• Density Functional Theory 24%
• Application 12%

Physics & Astronomy

• carbides 77%
• disorders 61%
• chemical properties 27%
• physical properties 20%
• carbon 17%
• catalytic activity 17%
• transition metals 11%
• transition temperature 10%
• density functional theory 10%
• synthesis 9%
• electrical resistivity 8%
• atoms 6%
• interactions 5%
• simulation 5%
• temperature 3%