| 697748 |
COMPUTATIONAL MATERIALS SCIENCE |
Polaron transport in porous graphene nanoribbons |
2021-06-01 |
10.1016/j.commatsci.2021.110423 |
da Cunha Wiliam F., Pereira Júnior Marcelo L., Giozza William F., de Sousa Junior Rafael T., Ribeiro Júnior Luiz A., e Silva Geraldo M. |
| 697747 |
COMPUTATIONAL MATERIALS SCIENCE |
MAST-SEY: MAterial Simulation Toolkit for Secondary Electron Yield. A monte carlo approach to secondary electron emission based on complex dielectric functions |
2021-06-01 |
10.1016/j.commatsci.2021.110281 |
Polak Maciej P., Morgan Dane |
| 697746 |
COMPUTATIONAL MATERIALS SCIENCE |
Crystal structure prediction in a continuous representative space |
2021-06-01 |
10.1016/j.commatsci.2021.110436 |
Lee In-Ho, Chang K.J. |
| 697745 |
COMPUTATIONAL MATERIALS SCIENCE |
Tuning nanoscale adhesive contact behavior to a near ideal Hertzian state via graphene coverage |
2021-06-01 |
10.1016/j.commatsci.2021.110427 |
Chen Yongchao, Guan Zhizi, Yang Wei, Yao Yongtao, Wang Hailong |
| 697744 |
COMPUTATIONAL MATERIALS SCIENCE |
Erratum to ‘The effects of introducing elasticity using different interpolation schemes to the grand potential phase field model’ [Comput. Mater. Sci. 183 (2020) 109790] |
2021-06-01 |
10.1016/j.commatsci.2021.110432 |
Simon Pierre-Clément A., Aagesen Larry K., Motta Arthur T., Tonks Michael R. |
| 697743 |
COMPUTATIONAL MATERIALS SCIENCE |
Elastic dipole tensors and relaxation volumes of point defects in concentrated random magnetic Fe-Cr alloys |
2021-06-01 |
10.1016/j.commatsci.2021.110435 |
Wróbel Jan S., Zemła Marcin R., Nguyen-Manh Duc, Olsson Pär, Messina Luca, Domain Christophe, Wejrzanowski Tomasz, Dudarev Sergei L. |
| 697742 |
COMPUTATIONAL MATERIALS SCIENCE |
Fast three-dimensional rules-based simulation of thermal-sprayed microstructures |
2021-06-01 |
10.1016/j.commatsci.2021.110437 |
Rodgers Theron M., Mitchell John A., Olson Aaron, Bolintineanu Dan S., Vackel Andrew, Moore Nathan W. |
| 697741 |
COMPUTATIONAL MATERIALS SCIENCE |
Relative relevance of mobility and driving force on edge dislocation climb by the vacancy mechanism |
2021-06-01 |
10.1016/j.commatsci.2021.110378 |
Martínez Enrique, Alankar Alankar, Caro Alfredo, Jourdan Thomas |
| 697740 |
COMPUTATIONAL MATERIALS SCIENCE |
First-principles calculations for attosecond electron dynamics in solids |
2021-06-01 |
10.1016/j.commatsci.2020.110274 |
Sato Shunsuke A. |
| 697739 |
COMPUTATIONAL MATERIALS SCIENCE |
Problem-fluent models for complex decision-making in autonomous materials research |
2021-06-01 |
10.1016/j.commatsci.2021.110385 |
Baek Soojung, Reyes Kristofer G. |
