potfit wiki

open source force-matching

User Tools

Site Tools


publications

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision
Previous revision
Last revisionBoth sides next revision
publications [2021/09/01 18:36] – [Publications on research done with potfit] 2020 part 3 pbropublications [2021/09/02 00:02] – [Publications on research done with potfit] 2019-final pbro
Line 104: Line 104:
 Mol. Sys. Des. Eng. **5**, 1098–1117 (2020).\\ Mol. Sys. Des. Eng. **5**, 1098–1117 (2020).\\
 [[https://doi.org//10.1039/D0ME00050G|Abstract]] [[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\\ D. S. Oliveira, M. A. Cotta, and J. E. Padilha\\
Line 114: Line 124:
 Phys. Rev. Mater. **4**(11), 114408 (2020).\\ Phys. Rev. Mater. **4**(11), 114408 (2020).\\
 [[https://dx.doi.org/10.1103/PhysRevMaterials.4.114408|Abstract]] [[https://dx.doi.org/10.1103/PhysRevMaterials.4.114408|Abstract]]
 +
 +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\\ S. Starikov, I. Gordeev, Y. Lysogorskiy, L. Kolotova, and S. Makarov\\
Line 129: Line 144:
 J. Alloys Compounds **846**, 156386 (2020).\\ J. Alloys Compounds **846**, 156386 (2020).\\
 [[https://doi.org/10.1016/j.jallcom.2020.156386|Abstract]] [[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\\ S. Xu, X. F. Fan, C. Z. Gu, Y. F. Shi, D. J. Singh, and W. T. Zheng\\
Line 136: Line 156:
  
 === 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://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\\ S. Longbottom and P. Brommer\\
 **Uncertainty quantification for classical effective potentials: an extension to //potfit//**\\ **Uncertainty quantification for classical effective potentials: an extension to //potfit//**\\
 Modelling Simul. Mater. Sci. Eng. **27**(4), 044001 (2019).\\ 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]] [[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]]
 +
  
  
publications.txt · Last modified: 2021/09/02 00:15 by pbro