@article{s.starikov20201, author = {S. Starikov and V. Tseplyaev}, title = {Twoscale simulation of plasticity in molybdenum: combination of atomistic simulation and dislocation dynamics with nonlinear mobility function}, journal = {Computational Materials Science}, volume = {179}, OPTnumber = {}, OPTmonth = {01}, year = {2020}, OPTpages = {109585}, OPTnote = {}, OPTkey = {dislocations; dislocation dynamics; bcc metals; plasticity}, DOI = {10.1016/j.commatsci.2020.109585} } @article{s.mu20201, author = {S. Mu and R. J. Olsen and B. Dutta and L. Lindsay and G. D. Samolyuk and T. Berlijn and E. D. Specht and K. Jin and H. Bei and T. Hickel and B. C. Larson and G. M. Stocks}, title = {Unfolding the complexity of phonon quasiparticle physics in disordered materials}, journal = {npj Computational Materials}, volume = {6}, OPTnumber = {}, OPTmonth = {01}, year = {2020}, OPTpages = {4}, OPTnote = {}, OPTkey = {computational methods; metals and alloys}, DOI = {10.1038/s4152402002713} } @article{m.a.stricker20201, author = {M. A. Stricker and B. Yin and E. Mak and W. Curtin}, title = {Machine learning for metallurgy II. A neuralnetwork potential for magnesium}, journal = {Physical Review Materials}, volume = {4}, OPTnumber = {}, OPTmonth = {01}, year = {2020}, OPTpages = {103602}, OPTnote = {}, OPTkey = {ductility; elastic deformation; elastic modulus; electronic structure; fracture; line defects; plastic deformation; plasticity; point defects; potential energy surfaces; stacking faults; twinning; elemental metals; surfaces; density functional theory; mac}, DOI = {10.1103/PhysRevMaterials.4.103602} } @article{x.zhang20201, author = {X. Zhang and H. Wang and T. Hickel and J. Rogal and Y. Li and J. Neugebauer}, title = {Mechanism of collective interstitial ordering in FeC alloys}, journal = {Nature Materials}, volume = {19}, OPTnumber = {}, OPTmonth = {01}, year = {2020}, OPTpages = {849854}, OPTnote = {}, OPTkey = {atomistic models; metals and alloys; phase transitions and critical phenomena}, DOI = {10.1038/s4156302006779} }