Axel van de Walle

Affiliations: 
2006-2011 Applied Physics and Materials Science California Institute of Technology, Pasadena, CA 
 2011- Engineering Brown University, Providence, RI 
Website:
http://www.brown.edu/Departments/Engineering/Labs/avdw/
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"Axel van de Walle"
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Parents

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Gerbrand Ceder grad student 1995-2000 MIT
Mark Asta post-doc UC Berkeley

Children

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Pratyush Tiwary grad student 2012 Caltech
Gregory Pomrehn grad student 2013 Caltech
Steven Demers grad student 2014 Caltech
Sara Kadkhodaei grad student 2011-2016 University of Illinois, Chicago
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Publications

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Ushakov SV, Navrotsky A, Hong QJ, et al. (2019) Carbides and Nitrides of Zirconium and Hafnium. Materials (Basel, Switzerland). 12
Hong QJ, Ushakov SV, Kapush D, et al. (2018) Combined computational and experimental investigation of high temperature thermodynamics and structure of cubic ZrO and HfO. Scientific Reports. 8: 14962
Sun R, Van De Walle A. (2016) Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 53: 20-24
Hong QJ, Van De Walle A. (2016) A user guide for SLUSCHI: Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 52: 88-97
de Jong M, Kacher J, Sluiter MH, et al. (2015) Electronic Origins of Anomalous Twin Boundary Energies in Hexagonal Close Packed Transition Metals. Physical Review Letters. 115: 065501
van de Walle A, Hong Q, Kadkhodaei S, et al. (2015) The free energy of mechanically unstable phases. Nature Communications. 6: 7559
Hong QJ, Van De Walle A. (2015) Prediction of the material with highest known melting point from ab initio molecular dynamics calculations Physical Review B - Condensed Matter and Materials Physics. 92
Van De Walle A, Hong Q, Kadkhodaei S, et al. (2015) The free energy of mechanically unstable phases Nature Communications. 6
Miljacic L, Demers S, Hong QJ, et al. (2015) Equation of state of solid, liquid and gaseous tantalum from first principles Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. 51: 133-143
Hong QJ, Ushakov SV, Navrotsky A, et al. (2015) Combined computational and experimental investigation of the refractory properties of la2Zr2O7 Acta Materialia. 84: 275-282
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