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--- publications [2021/09/01 18:10] – [Publications on research done with potfit] 2020 part 2 pbro
+++ publications [2021/09/02 00:02] – [Publications on research done with potfit] 2019-final pbro
@@ Line 62: / Line 62: @@
 J. Phys. D: Appl. Phys. **54**, 015103 (2021)\\
 [[https://dx.doi.org/10.1088/1361-6463/abb38e|Abstract]] [[https://iopscience.iop.org/article/10.1088/1361-6463/abb38e/pdf|PDF]]
+D. S. Oliveira and M. A. Cotta\\
+**Role of Group V Atoms during GaAs Nanowire Growth Revealed by Molecular Dynamics Simulations: Implications in the Formation of Sharp Interfaces**\\
+ACS Appl. Nano Mater. **4**(3), 2903–2909 (2021).\\
+[[https://dx.doi.org/10.1021/acsanm.1c00057|Abstract]]
 J. H. Qian, Y. H. Li, H. A. Wu, and F. C. Wang\\
@@ Line 67: / Line 72: @@
 CARBON **180**, 85–91 (2021).\\
 [[https://dx.doi.org/10.1016/j.carbon.2021.04.087|Abstract]]
-D. Soares Oliveira and M. Alonso Cotta\\
-**Role of Group V Atoms during GaAs Nanowire Growth Revealed by Molecular Dynamics Simulations: Implications in the Formation of Sharp Interfaces**\\
-ACS Appl. Nano Mater. **4**(3), 2903–2909 (2021).\\
-[[https://dx.doi.org/10.1021/acsanm.1c00057|Abstract]]
 L. J. Stanek, R. C. Clay III, M. W. C. Dharma-wardana, M. A. Wood, K. R. C. Beckwith, and M. S. Murillo\\
@@ Line 100: / Line 100: @@
 === 2020 ===
+B. Balasubramanian, M. Sakurai, C.-Z. Wang, X.S. Xu, K.-M. Ho, J. R. Chelikowsky, and D. J. Sellmyer\\
+**Synergistic computational and experimental discovery of novel magnetic materials**\\
+Mol. Sys. Des. Eng. **5**, 1098–1117 (2020).\\
+[[https://doi.org//10.1039/D0ME00050G|Abstract]]
+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://doi.org/10.3390/cryst10060515|Abstract]] [[https://www.mdpi.com/2073-4352/10/6/515/pdf|PDF]]
+H. B. Luo, H. L. Zhang, H. W. Sheng, J. P. Liu, I. Szlufarska\\
+**Amorphous shear bands in SmCo<sub>5</sub>**\\
+Mater. Sci. Eng. A **785**, 139340 (2020).\\
+[[https://doi.org/10.1016/j.msea.2020.139340|Abstract]]
+D. S. Oliveira, M. A. Cotta, and J. E. Padilha\\
+**Interatomic potential for atomistic simulation of self-catalyzed GaAs nanowires growth**\\
+Comput. Mater. Sci. **183**, 109805 (2020).\\
+[[https://dx.doi.org/10.1016/j.commatsci.2020.109805|Abstract]]
 M. Sakurai, R. H. Wang, T. Liao, C. Zhang, H. J. Sun, Y. Sun, H. D. Wang, X. Zhao, S. Y. Wang, B. Balasubramanian, X. S. Xu, D. J. Sellmyer, V. Antropov, J. Zhang, C.-Z. Wang, K.-M. Ho, and J. R. Chelikowsky\\
 **Discovering rare-earth-free magnetic materials through the development of a database**\\
@@ Line 105: / Line 125: @@
 [[https://dx.doi.org/10.1103/PhysRevMaterials.4.114408|Abstract]]
-S. Starikov, I. Gordeev, Y.Lysogorskiy, L.Kolotova, and S.Makarov\\
+D. Smirnova, S. Starikov, G. Díaz Leines, Y. Y. Liang, N. Wang, M. N. Popov, I. A. Abrikosov, D. G. Sangiovanni, R. Drautz, and M. Mrovec\\
+**Atomistic description of self-diffusion in molybdenum: A comparative theoretical study of non-Arrhenius behavior**\\
+Phys. Rev. Mater. **4**, 013605 (2020).\\
+[[https://doi.org/10.1103/PhysRevMaterials.4.013605|Abstract]]
+S. Starikov, I. Gordeev, Y. Lysogorskiy, L. Kolotova, and S. Makarov\\
 **Optimized interatomic potential for study of structure and phase transitions in Si-Au and Si-Al systems**\\
 J. Comput. Mater. Sci. **184**, 109891 (2020).\\
 [[https://doi.org/10.1016/j.commatsci.2020.109891|Abstract]]
+S. Starikov and V. Tseplyaev\\
+**Two-scale simulation of plasticity in molybdenum: Combination of atomistic simulation and dislocation dynamics with non-linear mobility function**\\
+Comput. Mater. Sci. **179**, 109585 (2020).\\
+[[https://doi.org/10.1016/j.commatsci.2020.109585|Abstract]]
 H. Y. Wang, X. Y. Gao, S. M. Chen, Y. M. Li, Z. W. Wu, and H. P. Ren\\
@@ Line 114: / Line 144: @@
 J. Alloys Compounds **846**, 156386 (2020).\\
 [[https://doi.org/10.1016/j.jallcom.2020.156386|Abstract]]
+R. H. Wang, Y. Sun, V. Gvozdetskyi, X. Zhao, F. Zhang, L.-H. Xu, J. V. Zaikina, Z. J. Lin, C.-Z. Wang, and K.-M. Ho\\
+**Theoretical search for possible Li-Ni-B crystal structures using an adaptive genetic algorithm**\\
+J. Appl. Phys. **127**(9), 094902 (2020).\\
+[[https://doi.org/10.1063/1.5138642|Abstract]]
 S. Xu, X. F. Fan, C. Z. Gu, Y. F. Shi, D. J. Singh, and W. T. Zheng\\
@@ Line 121: / Line 156: @@
 === 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://doi.org/10.1063/1.5098808|Abstract]]
+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://dx.doi.org/10.1038/s41467-019-11464-7|Abstract]] [[https://www.nature.com/articles/s41467-019-11464-7.pdf|PDF]]
+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://doi.org/10.1038/s42004-019-0148-x|Abstract]]
 S. Longbottom and P. Brommer\\
 **Uncertainty quantification for classical effective potentials: an extension to //potfit//**\\
 Modelling Simul. Mater. Sci. Eng. **27**(4), 044001 (2019).\\
 [[https://dx.doi.org/10.1088/1361-651X/ab0d75|Abstract]] [[http://iopscience.iop.org/article/10.1088/0965-0393/25/1/014001/pdf|PDF]]
+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://doi.org/10.1088/1361-648X/ab0e31|Abstract]]
+A. N. Sobolev, O. A. Golovnia, and A. G. Popov\\
+**Embedded atom potential for Sm–Co compounds obtained by force-matching**\\
+J. Magn. Magn. Mater. **490**, 165468 (2019).\\
+[[https://doi.org/10.1016/j.jmmm.2019.165468|Abstract]]
+Y. N. Wang, Y. L. Shi, C. Y. Zhao, Q. J. Zheng, and J. Zhao\\
+**Photogenerated carrier dynamics at the anatase/rutile TiO<sub>2</sub> interface**\\
+Phys. Rev. B **99**(16), 165309 (2019).\\
+[[https://doi.org/10.1103/PhysRevB.99.165309|Abstract]]