Fraunhofer-Gesellschaft

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Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.
2016First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe
Stefano, D. di; Nazarov, R.; Hickel, T.; Neugebauer, J.; Mrovec, M.; Elsässer, C.
Zeitschriftenaufsatz
2015Atomistically enabled nonsingular anisotropic elastic representation of near-core dislocation stress fields in alpha-iron
Seif, D.; Po, G.; Mrovec, M.; Lazar, M.; Elsässer, C.; Gumbsch, P.
Zeitschriftenaufsatz
2015First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel
Stefano, D. di; Mrovec, M.; Elsässer, C.
Zeitschriftenaufsatz
2015First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel
Stefano, D. di; Mrovec, M.; Elsässer, C.
Zeitschriftenaufsatz
2015Interstitial iron impurities at grain boundaries in silicon: A first-principles study
Ziebarth, B.; Mrovec, M.; Elsässer, C.; Gumbsch, P.
Zeitschriftenaufsatz
2015Multiscale simulation of plasticity in bcc metals
Weygand, D.; Mrovec, M.; Hochrainer, T.; Gumbsch, P.
Zeitschriftenaufsatz
2015Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems
Gehrmann, J.; Pettifor, D.G.; Kolmogorov, A.N.; Reese, M.; Mrovec, M.; Elsässer, C.; Drautz, R.
Zeitschriftenaufsatz
2013Atomistic aspects of 1/2(1 1 1) screw dislocation behavior in alpha-iron and the derivation of microscopic yield criterion
Chen, Z.M.; Mrovec, M.; Gumbsch, P.
Zeitschriftenaufsatz
2012Bond order potentials for fracture, wear, and plasticity
Pastewka, L.; Mrovec, M.; Moseler, M.; Gumbsch, P.
Zeitschriftenaufsatz
2011Dislocation-vacancy interactions in tungsten
Chen, Z.M.; Mrovec, M.; Gumbsch, P.
Zeitschriftenaufsatz
2010Atomistic simulations of lattice defects in tungsten
Mrovec, M.; Elsässer, C.; Gumbsch, P.
Konferenzbeitrag
2009The EU programme for modelling radiation effects in fusion reactor materials
Dudarev, S.L.; Boutard, J.-L.; Lässer, R.; Caturla, M.J.; Derlet, P.M.; Fivel, M.; Fu, C.-C.; Lavrentiev, M.Y.; Malerba, L.; Mrovec, M.; Nguyen-Manh, D.; Nordlund, K.; Perlado, M.; Schäublin, R.; Swygenhoven, H. van; Terentyev, D.; Wallenius, J.; Weygand, D.; Willaime, F.
Zeitschriftenaufsatz
2009Schottky barriers at transition-metal/SrTiO3(001) interfaces
Mrovec, M.; Albina, J.-M.; Meyer, B.; Elsässer, C.
Zeitschriftenaufsatz
2008Atomistic simulations of interactions between the 1/2(111) edge dislocation and symmetric tilt grain boundaries in tungsten
Cheng, Y.; Mrovec, M.; Gumbsch, P.
Zeitschriftenaufsatz
2008Crack nucleation at the Sigma 9(2(2)over-bar1) symmetrical tilt grain boundary in tungsten
Cheng, Y.; Mrovec, M.; Gumbsch, P.
Zeitschriftenaufsatz
2007Atomistic modeling of hydrocarbon systems using analytic bond-order potentials
Mrovec, M.; Moseler, M.; Elsässer, C.; Gumbsch, P.
Aufsatz in Buch
2007Bond-order potential for simulations of extended defects in tungsten
Mrovec, M.; Gröger, R.; Bailey, A.G.; Nguyen-Manh, D.; Elsässer, C.; Vitek, V.
Zeitschriftenaufsatz
2007Structure, stability, and electronic properties of SrTiO3/LaAlO3 and SrTiO3/SrRuO3 interfaces
Albina, J.-M.; Mrovec, M.; Meyer, B.; Elsässer, C.
Zeitschriftenaufsatz