publications
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publications [2021/09/01 18:36] – [Publications on research done with potfit] 2020 part 3 pbro | publications [2021/09/02 00:15] (current) – [Publications on research done with potfit] 2018 reordered pbro | ||
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Mol. Sys. Des. Eng. **5**, 1098–1117 (2020).\\ | Mol. Sys. Des. Eng. **5**, 1098–1117 (2020).\\ | ||
[[https:// | [[https:// | ||
+ | |||
+ | L. Kolotova and I. Gordeev\\ | ||
+ | **Structure and Phase Transition Features of Monoclinic and Tetragonal Phases in U–Mo Alloys**\\ | ||
+ | Crystals **10**(6), 515 (2020).\\ | ||
+ | [[https:// | ||
+ | |||
+ | H. B. Luo, H. L. Zhang, H. W. Sheng, J. P. Liu, I. Szlufarska\\ | ||
+ | **Amorphous shear bands in SmCo< | ||
+ | Mater. Sci. Eng. A **785**, 139340 (2020).\\ | ||
+ | [[https:// | ||
D. S. Oliveira, M. A. Cotta, and J. E. Padilha\\ | D. S. Oliveira, M. A. Cotta, and J. E. Padilha\\ | ||
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Phys. Rev. Mater. **4**(11), 114408 (2020).\\ | Phys. Rev. Mater. **4**(11), 114408 (2020).\\ | ||
[[https:// | [[https:// | ||
+ | |||
+ | D. Smirnova, S. Starikov, G. Díaz Leines, Y. Y. Liang, N. Wang, M. N. Popov, I. A. Abrikosov, D. G. Sangiovanni, | ||
+ | **Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior**\\ | ||
+ | Phys. Rev. Mater. **4**, 013605 (2020).\\ | ||
+ | [[https:// | ||
S. Starikov, I. Gordeev, Y. Lysogorskiy, | S. Starikov, I. Gordeev, Y. Lysogorskiy, | ||
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J. Alloys Compounds **846**, 156386 (2020).\\ | J. Alloys Compounds **846**, 156386 (2020).\\ | ||
[[https:// | [[https:// | ||
+ | |||
+ | R. H. Wang, Y. Sun, V. Gvozdetskyi, | ||
+ | **Theoretical search for possible Li-Ni-B crystal structures using an adaptive genetic algorithm**\\ | ||
+ | J. Appl. Phys. **127**(9), 094902 (2020).\\ | ||
+ | [[https:// | ||
S. Xu, X. F. Fan, C. Z. Gu, Y. F. Shi, D. J. Singh, and W. T. Zheng\\ | S. Xu, X. F. Fan, C. Z. Gu, Y. F. Shi, D. J. Singh, and W. T. Zheng\\ | ||
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=== 2019 === | === 2019 === | ||
+ | Y. W. Lei, D. D. Li, R. L. Zhou, and B. Zhang\\ | ||
+ | **Embedded atom method potentials for La-Al-Ni ternary alloy**\\ | ||
+ | J. Appl. Phys. **125**, 245109 (2019).\\ | ||
+ | [[https:// | ||
+ | |||
+ | Q.-J. Li, H. Sheng, and E. Ma\\ | ||
+ | **Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways**\\ | ||
+ | Nat. Commun. **10**, 3563 (2019).\\ | ||
+ | [[https:// | ||
+ | |||
+ | S.-S. Liu, L. C. Saha, A. Iskandarov, T. Ishimoto, T. Yamamoto, Y. Umeno, S. Matsumura, and M. Koyama\\ | ||
+ | **Atomic structure observations and reaction dynamics simulations on triple phase boundaries in solid-oxide fuel cells**\\ | ||
+ | Commun. Chem. **2**, 48 (2019).\\ | ||
+ | [[https:// | ||
+ | |||
S. Longbottom and P. Brommer\\ | S. Longbottom and P. Brommer\\ | ||
**Uncertainty quantification for classical effective potentials: an extension to // | **Uncertainty quantification for classical effective potentials: an extension to // | ||
Line 141: | Line 176: | ||
[[https:// | [[https:// | ||
+ | G. S. Smirnov and V. V. Stegailov\\ | ||
+ | **Formation free energies of point defects and thermal expansion of bcc U and Mo**\\ | ||
+ | J. Phys. Condens. Matter **31**, 235704 (2019).\\ | ||
+ | [[https:// | ||
- | === 2018 === | + | A. N. Sobolev, O. A. Golovnia, and A. G. Popov\\ |
- | H. Wang, Z. Yao, X. Gao, P. Cui, and H. Ren\\ | + | **Embedded atom potential for Sm–Co compounds obtained by force-matching**\\ |
- | **Molecular Dynamics Investigation of the Effect of Lanthanum on the Diffusivity of Niobium in Austenite**\\ | + | J. Magn. Magn. Mater. **490**, 165468 |
- | Mater. Trans. **59**, 706–711 | + | [[https:// |
- | [[https://dx.doi.org/10.2320/matertrans.M2018013|Abstract]] | + | |
+ | Y. N. Wang, Y. L. Shi, C. Y. Zhao, Q. J. Zheng, and J. Zhao\\ | ||
+ | **Photogenerated carrier dynamics at the anatase/rutile TiO< | ||
+ | Phys. Rev. B **99**(16), 165309 (2019).\\ | ||
+ | [[https://doi.org/10.1103/PhysRevB.99.165309|Abstract]] | ||
- | S. Starikov and M. Korneva\\ | + | |
- | **Description of phase transitions through accumulation of point defects: UN, UO< | + | |
- | J. Nucl. Mater. **510**, 373–381 (2018)\\ | + | === 2018 === |
- | [[https:// | + | |
A.S. Antropov, K.S. Fidanyan, and V.V. Stegailov\\ | A.S. Antropov, K.S. Fidanyan, and V.V. Stegailov\\ | ||
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[[https:// | [[https:// | ||
- | D.E. Smirnova, S.V. Starikov, and A.M. Vlasova\\ | + | G. B. Bokas, Y. Shen, L. Zhao, H. W. Sheng, J. H. Perepezko, and I. Szlufarska\\ |
- | **New interatomic potential for simulation | + | **Synthesis |
- | Comput. Mater. Sci. **154**, 295–302 (2018)\\ | + | J. Mater. Sci **53**, 11488–11499 (2018)\\ |
- | [[https://dx.doi.org/10.1016/j.commatsci.2018.07.051|Abstract]] | + | [[https:// |
- | Z. Yang, S. Wu, X. Zhao, M.C. Nguyen, S. Yu, T. Wen, L. Tang, F. Li, K.-M. Ho, and C.-Z. Wang\\ | + | M. R. Bonilla, A. Lozano, B. Escribano, J. Carrasco, and E. Akhmatskaya\\ |
- | **Structures and magnetic properties | + | **Revealing the Mechanism |
- | J. Appl. Phys. **124**, 073901 | + | J. Phys. Chem. C **122**, 8065–8075 |
- | [[https:// | + | [[http:// |
- | D.E. Smirnova, S.V. Starikov, and I.S. Gordeev\\ | + | X. Gui, X. Zhao, Z. Sobczak, C.-Z. Wang, T. Klimczuk, K.-M. Ho, and W. Xie\\ |
- | **Evaluation of the structure | + | **Ternary Bismuthide SrPtBi< |
- | Comput. Mater. Sci. **152**, 51–59 (2018)\\ | + | J. Phys. Chem. C **122**, 5057–5063 (2018)\\ |
- | [[https:// | + | [[http:// |
S. Hocker, H. Lipp, E. Eisfeld, S. Schmauder, and J. Roth\\ | S. Hocker, H. Lipp, E. Eisfeld, S. Schmauder, and J. Roth\\ | ||
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J. Chem. Phys. **149**, 024701 (2018)\\ | J. Chem. Phys. **149**, 024701 (2018)\\ | ||
[[https:// | [[https:// | ||
+ | |||
+ | Y. W. Lei, X. R. Sun, R. L. Zhou, and B. Zhang\\ | ||
+ | **Embedded atom method potentials for Ce-Ni binary alloy**\\ | ||
+ | Comput. Mater. Sci. **150**, 1–8 (2018)\\ | ||
+ | [[http:// | ||
Z. Pei, H. Sheng, X. Zhang, R. Li, and B. Svendsen\\ | Z. Pei, H. Sheng, X. Zhang, R. Li, and B. Svendsen\\ | ||
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[[http:// | [[http:// | ||
- | Y. W. Lei, X. R. Sun, R. L. Zhou, and B. Zhang\\ | + | D.E. Smirnova, S.V. Starikov, and I.S. Gordeev\\ |
- | **Embedded atom method potentials | + | **Evaluation of the structure and properties |
- | Comput. Mater. Sci. **150**, 1–8 (2018)\\ | + | Comput. Mater. Sci. **152**, 51–59 (2018)\\ |
- | [[http:// | + | [[https:// |
- | G. B. Bokas, Y. Shen, L. Zhao, H. W. Sheng, J. H. Perepezko, and I. Szlufarska\\ | + | D.E. Smirnova, S.V. Starikov, and A.M. Vlasova\\ |
- | **Synthesis | + | **New interatomic potential for simulation |
- | J. Mater. Sci **53**, 11488–11499 (2018)\\ | + | Comput. Mater. Sci. **154**, 295–302 (2018)\\ |
- | [[https:// | + | [[https://dx.doi.org/10.1016/j.commatsci.2018.07.051|Abstract]] |
- | + | ||
- | M. R. Bonilla, A. Lozano, B. Escribano, J. Carrasco, and E. Akhmatskaya\\ | + | |
- | **Revealing the Mechanism of Sodium Diffusion in Na< | + | |
- | J. Phys. Chem. C **122**, 8065–8075 (2018)\\ | + | |
- | [[http:// | + | |
S. V. Starikov, L. N. Kolotova, A. Yu. Kuksin, D. E. Smirnova, and V. I. Tseplyaev\\ | S. V. Starikov, L. N. Kolotova, A. Yu. Kuksin, D. E. Smirnova, and V. I. Tseplyaev\\ | ||
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J. Nucl. Mater. **499**, 451–463 (2018))\\ | J. Nucl. Mater. **499**, 451–463 (2018))\\ | ||
[[http:// | [[http:// | ||
- | |||
- | X. Gui, X. Zhao, Z. Sobczak, C.-Z. Wang, T. Klimczuk, K.-M. Ho, and W. Xie\\ | ||
- | **Ternary Bismuthide SrPtBi< | ||
- | J. Phys. Chem. C **122**, 5057–5063 (2018)\\ | ||
- | [[http:// | ||
S. V. Starikov, N. Yu. Lopanitsyna, | S. V. Starikov, N. Yu. Lopanitsyna, | ||
Line 218: | Line 255: | ||
[[http:// | [[http:// | ||
+ | S. Starikov and M. Korneva\\ | ||
+ | **Description of phase transitions through accumulation of point defects: UN, UO< | ||
+ | J. Nucl. Mater. **510**, 373–381 (2018)\\ | ||
+ | [[https:// | ||
+ | |||
+ | H. Wang, Z. Yao, X. Gao, P. Cui, and H. Ren\\ | ||
+ | **Molecular Dynamics Investigation of the Effect of Lanthanum on the Diffusivity of Niobium in Austenite**\\ | ||
+ | Mater. Trans. **59**, 706–711 (2018)\\ | ||
+ | [[https:// | ||
+ | |||
+ | Z. Yang, S. Wu, X. Zhao, M.C. Nguyen, S. Yu, T. Wen, L. Tang, F. Li, K.-M. Ho, and C.-Z. Wang\\ | ||
+ | **Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations**\\ | ||
+ | J. Appl. Phys. **124**, 073901 (2018)\\ | ||
+ | [[https:// | ||
=== 2017 === | === 2017 === |
publications.txt · Last modified: 2021/09/02 00:15 by pbro