Matous Mrovec
TitelCiteras avÅr
Bond-order potential for molybdenum: Application to dislocation behavior
M Mrovec, D Nguyen-Manh, DG Pettifor, V Vitek
Physical Review B 69 (9), 094115, 2004
Bond-order potential for simulations of extended defects in tungsten
M Mrovec, R Gröger, AG Bailey, D Nguyen-Manh, C Elsässer, V Vitek
Physical Review B 75 (10), 104119, 2007
Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling
V Vitek, M Mrovec, JL Bassani
Materials Science and Engineering: A 365 (1-2), 31-37, 2004
Structure, stability, and electronic properties of Sr Ti O 3∕ La Al O 3 and Sr Ti O 3∕ Sr Ru O 3 interfaces
JM Albina, M Mrovec, B Meyer, C Elsässer
Physical Review B 76 (16), 165103, 2007
The EU programme for modelling radiation effects in fusion reactor materials: An overview of recent advances and future goals
SL Dudarev, JL Boutard, R Lässer, MJ Caturla, PM Derlet, M Fivel, CC Fu, ...
Journal of Nuclear Materials 386, 1-7, 2009
Magnetic bond-order potential for iron
M Mrovec, D Nguyen-Manh, C Elsässer, P Gumbsch
Physical review letters 106 (24), 246402, 2011
Schottky barriers at transition-metal/ interfaces
M Mrovec, JM Albina, B Meyer, C Elsässer
Physical Review B 79 (24), 245121, 2009
First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel
D Di Stefano, M Mrovec, C Elsässer
Acta Materialia 98, 306-312, 2015
Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum
V Vitek, M Mrovec, R Gröger, JL Bassani, V Racherla, L Yin
Materials Science and Engineering: A 387, 138-142, 2004
Bond order potentials for fracture, wear, and plasticity
L Pastewka, M Mrovec, M Moseler, P Gumbsch
MRS bulletin 37 (5), 493-503, 2012
Atomistic simulations of interactions between the 1/2⟨ 111⟩ edge dislocation and symmetric tilt grain boundaries in tungsten
Y Cheng, M Mrovec, P Gumbsch
Philosophical Magazine 88 (4), 547-560, 2008
Symmetrical tilt grain boundaries in bcc transition metals: comparison of semiempirical with ab-initio total-energy calculations
T Ochs, C Elsässer, M Mrovec, V Vitek, J Belak, JA Moriarty
Philosophical Magazine A 80 (10), 2405-2423, 2000
Parameterization of tight-binding models from density functional theory calculations
A Urban, M Reese, M Mrovec, C Elsässer, B Meyer
Physical Review B 84 (15), 155119, 2011
Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon
B Ziebarth, M Mrovec, C Elsässer, P Gumbsch
Journal of applied physics 116 (9), 093510, 2014
Atomistic modeling of hydrocarbon systems using analytic bond-order potentials
M Mrovec, M Moseler, C Elsässer, P Gumbsch
Progress in materials science 52 (2-3), 230-254, 2007
Interactions between lattice dislocations and twin boundaries in tungsten: A comparative atomistic simulation study
M Mrovec, C Elsaesser, P Gumbsch
Philosophical Magazine 89 (34-36), 3179-3194, 2009
Hydrogen diffusion and trapping in Ti-modified advanced high strength steels
N Winzer, O Rott, R Thiessen, I Thomas, K Mraczek, T Höche, L Wright, ...
Materials & Design 92, 450-461, 2016
Never Ending Saga of a Simple Boundary: Dedicated to Professor Dr. Dr. hc Manfred Rühle on the Occasion of his 65th Birthday
M Mrovec, T Ochs, C Elsässer, V Vitek, D Nguyen-Manh, DG Pettifor
Zeitschrift für Metallkunde 94 (3), 244-249, 2003
First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe
D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer
Physical Review B 93 (18), 184108, 2016
Atomistic aspects of screw dislocation behavior in α-iron and the derivation of microscopic yield criterion
ZM Chen, M Mrovec, P Gumbsch
Modelling and Simulation in Materials Science and Engineering 21 (5), 055023, 2013
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