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publications [2021/09/02 00:02] – [Publications on research done with potfit] 2019-final pbropublications [2021/09/02 00:15] (current) – [Publications on research done with potfit] 2018 reordered pbro
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 === 2018 === === 2018 ===
-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://dx.doi.org/10.2320/matertrans.M2018013|Abstract]] [[https://www.jstage.jst.go.jp/article/matertrans/59/5/59_M2018013/_pdf/-char/en|PDF]] 
- 
-S. Starikov and M. Korneva\\ 
-**Description of phase transitions through accumulation of point defects: UN, UO<sub>2</sub> and UC**\\ 
-J. Nucl. Mater. **510**, 373–381 (2018)\\ 
-[[https://dx.doi.org/10.1016/j.jnucmat.2018.08.025|Abstract]] 
  
 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://dx.doi.org/10.1088/1742-6596/946/1/012094|Abstract]] [[http://iopscience.iop.org/article/10.1088/1742-6596/946/1/012094/pdf|PDF]] [[https://dx.doi.org/10.1088/1742-6596/946/1/012094|Abstract]] [[http://iopscience.iop.org/article/10.1088/1742-6596/946/1/012094/pdf|PDF]]
  
-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 of pure magnesium and magnesium hydrides**\\ +**Synthesis of Sm–Al metallic glasses designed by molecular dynamics simulations**\\ 
-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://doi.org/10.1007/s10853-018-2393-2|Abstract]]
  
-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 of iron silicide from adaptive genetic algorithm and first-principles calculations**\\ +**Revealing the Mechanism of Sodium Diffusion in Na<sub>//x//</sub>FePO<sub>4</sub> Using an Improved Force Field**\\ 
-J. Appl. Phys. **124**, 073901 (2018)\\ +J. Phys. Chem. C **122**, 8065–8075 (2018)\\  
-[[https://dx.doi.org/10.1063/1.5036992|Abstract]]+[[http://dx.doi.org/10.1021/acs.jpcc.8b00230|Abstract]]
  
-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 and properties for the high-temperature phase of zirconium from the atomistic simulations**\\ +**Ternary Bismuthide SrPtBi<sub>2</sub>: Computation and Experiment in Synergism to Explore Solid-State Materials**\\ 
-Comput. Mater. Sci. **152**, 51–59 (2018)\\ +J. Phys. Chem. C **122**, 5057–5063 (2018)\\  
-[[https://dx.doi.org/10.1016/j.commatsci.2018.05.025|Abstract]]+[[http://dx.doi.org/10.1021/acs.jpcc.7b12801|Abstract]]
  
 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://dx.doi.org/10.1063/1.5029887|Abstract]] [[https://dx.doi.org/10.1063/1.5029887|Abstract]]
 +
 +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://dx.doi.org/10.1016/j.commatsci.2018.03.060|Abstract]]
  
 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://dx.doi.org/10.1063/1.5030113|Abstract]] [[http://dx.doi.org/10.1063/1.5030113|Abstract]]
  
-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 for Ce-Ni binary alloy**\\ +**Evaluation of the structure and properties for the high-temperature phase of zirconium from the atomistic simulations**\\ 
-Comput. Mater. Sci. **150**, 1–8 (2018)\\ +Comput. Mater. Sci. **152**, 51–59 (2018)\\ 
-[[http://dx.doi.org/10.1016/j.commatsci.2018.03.060|Abstract]]+[[https://dx.doi.org/10.1016/j.commatsci.2018.05.025|Abstract]]
  
-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 of Sm–Al metallic glasses designed by molecular dynamics simulations**\\ +**New interatomic potential for simulation of pure magnesium and magnesium hydrides**\\ 
-J. Mater. Sci **53**, 11488–11499 (2018)\\ +Comput. Mater. Sci. **154**, 295–302 (2018)\\ 
-[[https://doi.org/10.1007/s10853-018-2393-2|Abstract]] +[[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<sub>//x//</sub>FePO<sub>4</sub> Using an Improved Force Field**\\ +
-J. Phys. Chem. C **122**, 8065–8075 (2018)\\  +
-[[http://dx.doi.org/10.1021/acs.jpcc.8b00230|Abstract]]+
  
 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://dx.doi.org/10.1016/j.jnucmat.2017.11.047|Abstract]] [[http://dx.doi.org/10.1016/j.jnucmat.2017.11.047|Abstract]]
- 
-X. Gui, X. Zhao, Z. Sobczak, C.-Z. Wang, T. Klimczuk, K.-M. Ho, and W. Xie\\ 
-**Ternary Bismuthide SrPtBi<sub>2</sub>: Computation and Experiment in Synergism to Explore Solid-State Materials**\\ 
-J. Phys. Chem. C **122**, 5057–5063 (2018)\\  
-[[http://dx.doi.org/10.1021/acs.jpcc.7b12801|Abstract]] 
  
 S. V. Starikov, N. Yu. Lopanitsyna, D. E. Smirnova and S. V. Makarov\\ S. V. Starikov, N. Yu. Lopanitsyna, D. E. Smirnova and S. V. Makarov\\
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 [[http://dx.doi.org/10.1016/j.commatsci.2017.09.054|Abstract]] [[http://dx.doi.org/10.1016/j.commatsci.2017.09.054|Abstract]]
  
 +S. Starikov and M. Korneva\\
 +**Description of phase transitions through accumulation of point defects: UN, UO<sub>2</sub> and UC**\\
 +J. Nucl. Mater. **510**, 373–381 (2018)\\
 +[[https://dx.doi.org/10.1016/j.jnucmat.2018.08.025|Abstract]]
 +
 +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://dx.doi.org/10.2320/matertrans.M2018013|Abstract]] [[https://www.jstage.jst.go.jp/article/matertrans/59/5/59_M2018013/_pdf/-char/en|PDF]]
 +
 +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://dx.doi.org/10.1063/1.5036992|Abstract]]
  
 === 2017 === === 2017 ===
publications.1630533768.txt.gz · Last modified: 2021/09/02 00:02 by pbro