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Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study

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Chakrabarty,  Aurab
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Hickel,  Tilmann
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Spatschek,  Robert Philipp
Mescoscale Simulations, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Neugebauer,  Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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von Appen, J., Dronskowski, R., Chakrabarty, A., Hickel, T., Spatschek, R. P., & Neugebauer, J. (2014). Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe–Mn alloys: A first-principles study. Journal of Computational Chemistry, 35(31), 2239-2244. doi:10.1002/jcc.23742.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-A65C-D
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