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2025
S. Starikov. Dislocation mobility function as a key to understanding plasticity of refractory metals and alloys. Computational Materials Science, 246, 113411, (2025)
2024
S. V. Sevlikar, G. M. Muralikrishna, D. Gaertner et al. Grain boundary diffusion and segregation of Cr in Ni S11(113)[110] bicrystals: Decoding the role of grain boundary defects. Acta Materialia, 278, 120229, (2024)
A. Egorov, A. Kraych, M. Mrovec et al. Core structure of dislocations in ordered ferromagnetic FeCo. Physical Review Materials, 8, 093604, (2024)
S. Starikov, Petr Grigorev, R. Drautz et al. Large-scale atomistic simulation of diffusion in refractory metals and alloys. Physical Review Materials, 8, 043603, (2024)
S. Starikov, P. Grigorev, P. A.T. Olsson. Angular-dependent interatomic potential for large-scale atomistic simulation of W-Mo-Nb ternary alloys. Computational Materials Science, 233, 112734, (2024)
2023
S. Starikov, A. Abbass, R. Drautz et al. Disordering complexion transition of grain boundaries in bcc metals: Insights from atomistic simulations. Acta Materialia, 261, 119399, (2023)
S. Starikov, V. Jamebozorgi, D. Smirnova et al. Atomistic simulations of pipe diffusion in bcc transition metals. Acta Materialia, 260, 119294, (2023)
D. Smirnova, S. Starikov. Atomistic study of hydrogen diffusion in presence of defects in bcc and fcc iron. Computational Materials Science, 230, 112433, (2023)
M. Qamar, M. Mrovec, Y. Lysogorskiy et al. Atomic cluster expansion for quantum-accurate large-scale simulations of carbon. Journal of Chemical Theory and Computation, 19, 5151–5167, (2023)
S. Starikov, D. Smirnova. Details of structure transformations in pure uranium and U-Mo alloys: insights from classical atomistic simulation. Journal of Nuclear Materials, 576, 154265, (2023)
2022
S. Starikov, D. Smirnova, T. Pradhan et al. Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system. Physical Review Materials, 6, 043604, (2022)
I. Gordeev, L. Kolotova, S. Starikov. Formation of metastable aluminum silicide as intermediate stage of Al-Si alloy crystallization. Scripta Materialia, 210, 114481, (2022)
A. Bochkarev, Y. Lysogorskiy, S. Menon et al. Efficient parametrization of the atomic cluster expansion. Physical Review Materials, 6, 013804, (2022)
2021
S. Kumtamukkula. Exploring deep generative modeling approaches with 2D to 3D polycrystalline icrostructures generation. Master Thesis, Ruhr-Univerisität Bochum, (2021)
S. Starikov, D. Smirnova. Optimized interatomic potential for atomistic simulation of Zr-Nb alloy. Computational Materials Science, 197, 110581, (2021)
L. Romaner, T. Pradhan, A. Kholtobina et al. Theoretical investigation of the 70.5 mixed dislocations in body-centered cubic transition metals. Acta Materialia, 217, 117154, (2021)
S. Starikov, D. Smirnova, T. Pradhan et al. Angular-dependent interatomic potential for large-scale atomistic simulation of iron: development and comprehensive comparison with existing interatomic models. Physical Review Materials, 5, 063607, (2021)
S. Syubaev, E. Mitsai, S. Starikov et al. Laser-printed hemispherical silicon Mie resonators. Optics Letters, 46, 2304-2307, (2021)
2020
S. Starikov, I. Gordeev, Y. Lysogorskiy et al. Optimized interatomic potential for study of structure and phase transitions in Si-Au and Si-Al systems. Computational Materials Science, 184, 109891, (2020)
M. A. Korneva, S. Starikov, A. P. Zhilyaev et al. Atomistic modeling of grain boundary migration in nickel. Advanced Engineering Materials, 22, 2000115, (2020)
S. Pemma. Detection of hydrogen in Ti/Mo carbides of steels: an atom probe study combined with atomistic simulation. Master Thesis, Ruhr Universität Bochum, (2020)
S. Starikov, V. Tseplyaev. Two-scale simulation of plasticity in molybdenum: combination of atomistic simulation and dislocation dynamics with non-linear mobility function. Computational Materials Science, 179, 109585, (2020)
A. Y. Zhizhchenko, P. Tonkaev, D. Gets et al. Light-emitting nanophotonic designs enabled by ultrafast laser processing of halide perovskites. Small, 16, 2000410, (2020)
S. Starikov, M. Mrovec, R. Drautz. Study of grain boundary self-diffusion in iron with different atomistic models. Acta Materialia, 188, 560-569, (2020)
A. Stamminger, B. Ziebarth, M. Mrovec et al. Fast diffusion mechanism in Li₄P₂S₆ via a concerted process of interstitial Li ions. RSC Advances, 10, 10715-10722, (2020)
D. Smirnova, S. Starikov, G. Díaz Leines et al. Atomistic description of self-diffusion in molybdenum: a comparative theoretical study of non-Arrhenius behavior. Physical Review Materials, 4, 013605, (2020)
2019
A. Stamminger, B. Ziebarth, M. Mrovec et al. Ionic conductivity and its dependence on structural disorder in halogenated argyrodites Li₆PS₅X (X = Br, Cl, I). Chemistry of Materials, 31, 8673-8678, (2019)
D. Sangiovanni, J. Klarbring, D. Smirnova et al. Superioniclike diffusion in an elemental crystal: bcc titanium. Physical Review Letters, 123, 105501, (2019)
A. Ferrari, D. Sangiovanni, J. Rogal et al. First-principles characterization of reversible martensitic transformations. Physical Review B, 99, 094107, (2019)
2018
S. Starikov, M. Korneva. Description of phase transitions through accumulation of point defects: UN, UO₂ and UC. Journal of Nuclear Materials, 510, 373-381, (2018)
D. Smirnova, S. Starikov, I. S. Gordeev . Evaluation of the structure and properties for the high-temperature phase of zirconium from the atomistic simulations. Computational Materials Science, 152, 51–59, (2018)
D. Edström, D. Sangiovanni, L. Hultman et al. Elastic properties and plastic deformation of TiC- and VC-based pseudobinary alloys. Acta Materialia, 144, 376-385, (2018)
D. Sangiovanni, A. B. Mei, D. Edström et al. Effects of surface vibrations on interlayer mass transport: Ab initio molecular dynamics investigation of Ti adatom descent pathways and rates from TiN/TiN(001) islands. Physical Review B, 97, 035406, (2018)
2017
T. Pradhan. Comparison of various interatomic potentials for point-defect migration in transition metals. (2017)
A. Izardar. Investigation of self-diffusion in Mo using classical molecular dynamics simulations. (2017)
Q. Zheng, A. B. Mei, M. Tuteja et al. Phonon and electron contributions to the thermal conductivity of VN_χ epitaxial layers. Physical Review Materials, 1, 065002, (2017)
D. Gambino, D. Sangiovanni, B. Alling et al. Nonequilibrium ab initio molecular dynamics determination of Ti monovacancy migration rates in B1 TiN. Physical Review B, 96, 104306, (2017)
D. Edström, D. Sangiovanni, L. Hultman et al. Effects of incident N atom kinetic energy on TiN/TiN(001) film growth dynamics: A molecular dynamics investigation. Journal of Applied Physics, 121, 025302, (2017)
M. Mikula, M. Truchlý, D. Sangiovanni et al. Experimental and computational studies on toughness enhancement in Ti-Al-Ta-N quaternaries. Journal of Vacuum Science & Technology A, 35, 060602, (2017)
M. Mikula, D. Sangiovanni, D. Plašienka et al. Thermally induced age hardening in tough Ta-Al-N coatings via spinodal decomposition. Journal of Applied Physics, 121, 155304, (2017)