| Year |
Citation |
Score |
| 2019 |
Ferrari A, Schröder M, Lysogorskiy Y, Rogal J, Mrovec M, Drautz R. Phase transitions in titanium with an analytic bond-order potential Modelling and Simulation in Materials Science and Engineering. 27: 85008. DOI: 10.1088/1361-651X/Ab471D |
0.433 |
|
| 2019 |
Hammerschmidt T, Seiser B, Ford M, Ladines A, Schreiber S, Wang N, Jenke J, Lysogorskiy Y, Teijeiro C, Mrovec M, Cak M, Margine E, Pettifor D, Drautz R. BOPfox program for tight-binding and analytic bond-order potential calculations Computer Physics Communications. 235: 221-233. DOI: 10.1016/j.cpc.2018.08.013 |
0.31 |
|
| 2019 |
Qiu D, Zhao P, Shen C, Lu W, Zhang D, Mrovec M, Wang Y. Predicting grain boundary structure and energy in BCC metals by integrated atomistic and phase-field modeling Acta Materialia. 164: 799-809. DOI: 10.1016/J.Actamat.2018.11.023 |
0.312 |
|
| 2016 |
Vitek V, Lin YS, Mrovec M. Development of Bond-Order Potentials for BCC Transition Metals Solid State Phenomena. 258: 3-10. DOI: 10.4028/Www.Scientific.Net/Ssp.258.3 |
0.654 |
|
| 2016 |
Lin YS, Mrovec M, Vitek V. Bond-order potential for magnetic body-centered-cubic iron and its transferability Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.214107 |
0.669 |
|
| 2016 |
Di Stefano D, Nazarov R, Hickel T, Neugebauer J, Mrovec M, Elsässer C. First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.184108 |
0.338 |
|
| 2016 |
Lin Y, Mrovec M, Vitek V. Importance of inclusion of the effect of s electrons into bond-order potentials for transition bcc metals with d-band mediated bonding Modelling and Simulation in Materials Science and Engineering. 24: 85001. DOI: 10.1088/0965-0393/24/8/085001 |
0.634 |
|
| 2016 |
Winzer N, Rott O, Thiessen R, Thomas I, Mraczek K, Höche T, Wright L, Mrovec M. Hydrogen diffusion and trapping in Ti-modified advanced high strength steels Materials and Design. 92: 450-461. DOI: 10.1016/J.Matdes.2015.12.060 |
0.38 |
|
| 2016 |
Olsson PAT, Mrovec M, Kroon M. First principles characterisation of brittle transgranular fracture of titanium hydrides Acta Materialia. 118: 362-373. DOI: 10.1016/J.Actamat.2016.07.037 |
0.41 |
|
| 2015 |
Shimada T, Wang J, Araki Y, Mrovec M, Elsässer C, Kitamura T. Multiferroic Vacancies at Ferroelectric PbTiO(3) Surfaces. Physical Review Letters. 115: 107202. PMID 26382700 DOI: 10.1103/Physrevlett.115.107202 |
0.335 |
|
| 2015 |
Shimada T, Wang J, Ueda T, Uratani Y, Arisue K, Mrovec M, Elsässer C, Kitamura T. Multiferroic grain boundaries in oxygen-deficient ferroelectric lead titanate. Nano Letters. 15: 27-33. PMID 25485474 DOI: 10.1021/Nl502471A |
0.332 |
|
| 2015 |
Weygand D, Mrovec M, Hochrainer T, Gumbsch P. Multiscale Simulation of Plasticity in bcc Metals Annual Review of Materials Research. 45: 369-390. DOI: 10.1146/Annurev-Matsci-070214-020852 |
0.419 |
|
| 2015 |
Di Stefano D, Mrovec M, Elsässer C. First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.224301 |
0.372 |
|
| 2015 |
Ziebarth B, Mrovec M, Elsässer C, Gumbsch P. Interstitial iron impurities at cores of dissociated dislocations in silicon Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.195308 |
0.364 |
|
| 2015 |
Ziebarth B, Mrovec M, Elsässer C, Gumbsch P. Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.115309 |
0.34 |
|
| 2015 |
Seif D, Po G, Mrovec M, Lazar M, Elsässer C, Gumbsch P. Atomistically enabled nonsingular anisotropic elastic representation of near-core dislocation stress fields in α -iron Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.184102 |
0.403 |
|
| 2015 |
Gehrmann J, Pettifor DG, Kolmogorov AN, Reese M, Mrovec M, Elsässer C, Drautz R. Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.054109 |
0.474 |
|
| 2015 |
Ziebarth B, Mrovec M, Elsässer C, Gumbsch P. Interstitial iron impurities at grain boundaries in silicon: A first-principles study Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.035309 |
0.39 |
|
| 2015 |
Di Stefano D, Mrovec M, Elsässer C. First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel Acta Materialia. 98: 306-312. DOI: 10.1016/J.Actamat.2015.07.031 |
0.396 |
|
| 2014 |
Romero PA, Järvi TT, Beckmann N, Mrovec M, Moseler M. Coarse graining and localized plasticity between sliding nanocrystalline metals. Physical Review Letters. 113: 036101. PMID 25083655 DOI: 10.1103/Physrevlett.113.036101 |
0.402 |
|
| 2014 |
Lin YS, Mrovec M, Vitek V. A new method for development of bond-order potentials for transition bcc metals Modelling and Simulation in Materials Science and Engineering. 22. DOI: 10.1088/0965-0393/22/3/034002 |
0.665 |
|
| 2014 |
Ziebarth B, Mrovec M, Elsässer C, Gumbsch P. Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon Journal of Applied Physics. 116. DOI: 10.1063/1.4894007 |
0.374 |
|
| 2014 |
Winzer N, Mrovec M. Multiscale Approaches to Hydrogen-Assisted Degradation of Metals Jom. 66: 1366-1367. DOI: 10.1007/S11837-014-1082-0 |
0.473 |
|
| 2013 |
Chen ZM, Mrovec M, Gumbsch P. Atomistic aspects of 〈1 1 1〉 screw dislocation behavior in α-iron and the derivation of microscopic yield criterion Modelling and Simulation in Materials Science and Engineering. 21. DOI: 10.1088/0965-0393/21/5/055023 |
0.403 |
|
| 2012 |
Pastewka L, Mrovec M, Moseler M, Gumbsch P. Bond order potentials for fracture, wear, and plasticity Mrs Bulletin. 37: 493-503. DOI: 10.1557/Mrs.2012.94 |
0.572 |
|
| 2012 |
Hirel P, Mrovec M, Elsässer C. Atomistic simulation study of 〈1 1 0〉 dislocations in strontium titanate Acta Materialia. 60: 329-338. DOI: 10.1016/J.Actamat.2011.09.049 |
0.371 |
|
| 2011 |
Mrovec M, Nguyen-Manh D, Elsässer C, Gumbsch P. Magnetic bond-order potential for iron Physical Review Letters. 106. DOI: 10.1103/Physrevlett.106.246402 |
0.46 |
|
| 2011 |
Chen ZM, Mrovec M, Gumbsch P. Dislocation-vacancy interactions in tungsten Modelling and Simulation in Materials Science and Engineering. 19. DOI: 10.1088/0965-0393/19/7/074002 |
0.515 |
|
| 2010 |
Mrovec M, Elsässer C, Gumbsch P. Atomistic simulations of lattice defects in tungsten International Journal of Refractory Metals and Hard Materials. 28: 698-702. DOI: 10.1016/J.Ijrmhm.2010.05.007 |
0.363 |
|
| 2010 |
Hirel P, Marton P, Mrovec M, Elsässer C. Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides Acta Materialia. 58: 6072-6079. DOI: 10.1016/J.Actamat.2010.07.025 |
0.356 |
|
| 2009 |
Mrovec M, Albina JM, Meyer B, Elsässer C. Schottky barriers at transition-metal/ SrTiO3 (001) interfaces Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.245121 |
0.403 |
|
| 2009 |
Mrovec M, Elsässer C, Gumbsch P. Interactions between lattice dislocations and twin boundaries in tungsten: A comparative atomistic simulation study Philosophical Magazine. 89: 3179-3194. DOI: 10.1080/14786430903246346 |
0.471 |
|
| 2009 |
Dudarev SL, Boutard JL, Lässer R, Caturla MJ, Derlet PM, Fivel M, Fu CC, Lavrentiev MY, Malerba L, Mrovec M, Nguyen-Manh D, Nordlund K, Perlado M, Schäublin R, Van Swygenhoven H, et al. The EU programme for modelling radiation effects in fusion reactor materials: An overview of recent advances and future goals Journal of Nuclear Materials. 386: 1-7. DOI: 10.1016/J.Jnucmat.2008.12.301 |
0.303 |
|
| 2008 |
Nguyen-Manh D, Mrovec M, Fitzgerald SP. Dislocation driven problems in atomistic modelling of materials Materials Transactions. 49: 2497-2506. DOI: 10.2320/Matertrans.Mb200827 |
0.532 |
|
| 2008 |
Cheng Y, Mrovec M, Gumbsch P. Atomistic simulations of interactions between the 1/2 〈111〉 edge dislocation and symmetric tilt grain boundaries in tungsten Philosophical Magazine. 88: 547-560. DOI: 10.1080/14786430801894577 |
0.316 |
|
| 2007 |
Mrovec M, Gröger R, Bailey AG, Nguyen-Manh D, Elsässer C, Vitek V. Bond-order potential for simulations of extended defects in tungsten Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/Physrevb.75.104119 |
0.772 |
|
| 2007 |
Mrovec M, Moseler M, Elsässer C, Gumbsch P. Atomistic modeling of hydrocarbon systems using analytic bond-order potentials Progress in Materials Science. 52: 230-254. DOI: 10.1016/J.Pmatsci.2006.10.012 |
0.494 |
|
| 2005 |
Nguyen-Manh D, Cawkwell MJ, Gröger R, Mrovec M, Porizek R, Pettifor DG, Vitek V. Dislocations in materials with mixed covalent and metallic bonding Materials Science and Engineering A. 400: 68-71. DOI: 10.1016/J.Msea.2005.03.081 |
0.77 |
|
| 2005 |
Cawkwell MJ, Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. A bond-order potential incorporating analytic screening functions for the molybdenum silicides Materials Research Society Symposium Proceedings. 842: 309-314. |
0.761 |
|
| 2004 |
Cawkwell MJ, Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. A Bond-Order Potential Incorporating Analytic Screening Functions for the Molybdenum Silicides Mrs Proceedings. 842. DOI: 10.1557/Proc-842-S2.8 |
0.773 |
|
| 2004 |
Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. Bond-order potential for molybdenum: Application to dislocation behavior Physical Review B. 69: 94115. DOI: 10.1103/Physrevb.69.094115 |
0.68 |
|
| 2004 |
Vitek V, Mrovec M, Gröger R, Bassani JL, Racherla V, Yin L. Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum Materials Science and Engineering A. 387: 138-142. DOI: 10.1016/J.Msea.2004.04.066 |
0.683 |
|
| 2004 |
Vitek V, Mrovec M, Bassani JL. Influence of non-glide stresses on plastic flow: From atomistic to continuum modeling Materials Science and Engineering A. 365: 31-37. DOI: 10.1016/J.Msea.2003.09.004 |
0.574 |
|
| 2004 |
Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. Bond-order potential for molybdenum: Application to dislocation behavior Physical Review B - Condensed Matter and Materials Physics. 69: 941151-9411516. |
0.498 |
|
| 2003 |
Mrovec M, Ochs T, Elsässer C, Vitek V, Nguyen-Manh D, Pettifor DG. Never Ending Saga of a Simple Boundary Zeitschrift Fur Metallkunde. 94: 244-249. DOI: 10.3139/146.030244 |
0.464 |
|
| 2003 |
Nguyen-Manh D, Pettifor DG, Cockayne DJH, Mrovec M, Znam S, Vitek V. Environmentally dependent bond-order potentials: New developments and applications Bulletin of Materials Science. 26: 43-51. DOI: 10.1007/Bf02712786 |
0.712 |
|
| 2003 |
Nguyen-Manh D, Pettifor DG, Cockayne DJH, Mrovec M, Znam S, Vitek V. Environmentally dependent bond-order potentials: New developments and applications Bulletin of Materials Science. 26: 43-51. |
0.765 |
|
| 2001 |
Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. Bond-order potentials with analytic environment-dependent tight-binding integrals: Application to BCC molybdenum Materials Research Society Symposium - Proceedings. 653. |
0.46 |
|
| 2000 |
Mrovec M, Nguyen-Manh D, Pettifor DG, Vitek V. Bond-Order Potentials with Analytic Environment-Dependent Tight-Binding Integrals: Application to BCC Molybdenum Mrs Proceedings. 653. DOI: 10.1557/Proc-653-Z6.3.1 |
0.657 |
|
| 2000 |
Ochs T, Elsässer C, Mrovec M, Vitek V, Belak J, Moriarty JA. Symmetrical tilt grain boundaries in bcc transition metals: Comparison of semiempirical with ab-initio total-energy calculations Philosophical Magazine. 80: 2405-2423. DOI: 10.1080/01418610008216481 |
0.615 |
|
| 2000 |
Ochs T, Elsässer C, Mrovec M, Vitek V, Belak J, Moriarty JA. Symmetrical tilt grain boundaries in bcc transition metals: Comparison of semiempirical with ab-initio total-energy calculations Philosophical Magazine a: Physics of Condensed Matter, Structure, Defects and Mechanical Properties. 80: 2405-2423. |
0.378 |
|
| 2000 |
Mrovec M, Vitek V, Nguyen-Manh D, Pettifor DG, Wang LG, Sob M. Study of the mechanical behavior of BCC transition metals using bond-order potentials Materials Research Society Symposium - Proceedings. 578: 199-204. |
0.506 |
|
| 1999 |
Mrovec M, Vitek V, Nguyen-Manh D, Pettifor DG, Wang LG, Sob M. Study of the Mechanical Behavior of BCC Transition Metals Using Bond-Order Potentials Mrs Proceedings. 578: 199. DOI: 10.1557/Proc-578-199 |
0.685 |
|
| 1999 |
Mrovec M, Vitek V, Nguyen-Manh D, Pettifor DG, Wang LG, Sob M. Bond-order potentials for molybdenum and niobium: an assessment of their quality Materials Research Society Symposium - Proceedings. 538: 529-534. |
0.486 |
|
| 1998 |
Mrovec M, Vitek V, Nguyen-Manh D, Pettifor DG, Wang LG, Sob M. Bond-Order Potentials for Molybdenum and Niobium: An Assessment of Their Quality Mrs Proceedings. 538: 529. DOI: 10.1557/Proc-538-529 |
0.576 |
|
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