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Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

A.I. Duff 1, T. Davey1, D. Korbmacher2, A. Glensk2, B. Grabowski2, J. Neugebauer2, M.W. Finnis3

1. Department of Materials, Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, UK
2. Max-Planck-Institut fur Eisenforschung, Max-Planck-Strasse 1, Duesseldorf 40237, Germany
3. Department of Materials and Department of Physics, Thomas Young Centre, Imperial College London, Exhibition Road, London SW7 2AZ, UK

Physical Review B, 91 (2015) 214311

DOI: 10.1103/PhysRevB.91.214311

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Thermodynamics

Instruction for PhD students, School of Engineering, Tohoku University, 2020 - present