Ab-initio stacking-fault energies of steels

Peter Puschnig
University of Graz (Universität Graz)
Institut für Physik, Institute of Physics, Karl-Franzens-Universität Graz

VSC project / type: 70358 / test

Publications:

  • Popov Maxim N., Bochkarev Anton S., Razumovskiy Vsevolod I., Puschnig Peter, Spitaler Juergen
    Point defects at the Sigma 5(012)[100] grain boundary in TiN and the early stages of Cu diffusion: An ab initio study
    ACTA MATERIALIA 144, 496 (2018)

  • Dengg Thomas, Razumovskiy Vsevolod, Romaner Lorenz, Kresse Georg, Puschnig Peter, Spitaler Juergen
    Thermal expansion coefficient of WRe alloys from first principles
    PHYSICAL REVIEW B 96, 035148 (2017)

  • Scheiber D., Pippan R., Puschnig P., Romaner L.
    Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 085009 (2016)

  • Scheiber Daniel, Pippan Reinhard, Puschnig Peter, Ruban Andrei, Romaner Lorenz
    Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten
    INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS 60, 75 (2016)

  • Scheiber Daniel, Pippan Reinhard, Puschnig Peter, Romaner Lorenz
    Ab initio calculations of grain boundaries in bcc metals
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 035013 (2016)

  • Razumovskiy Vsevolod I., Reyes-Huamantinco Andrei, Puschnig Peter, Ruban A. V.
    Effect of thermal lattice expansion on the stacking fault energies of fcc Fe and Fe75Mn25 alloy
    PHYSICAL REVIEW B 93, 054111 (2016)

  • Scheiber Daniel, Razumovskiy Vsevolod I., Puschnig Peter, Pippan Reinhard, Romaner Lorenz
    Ab initio description of segregation and cohesion of grain boundaries in W-25 at.% Re alloys
    ACTA MATERIALIA 88, 180 (2015)



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