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Contents

No Journal_name Subject Date DOI Author
763628 COMPUTATIONAL MATERIALS SCIENCE Superconductivity induced by Ag intercalation in Dirac semimetal Bi2Se3 2021-11-01 10.1016/j.commatsci.2021.110989 Koley S., Basu Saurabh
763627 COMPUTATIONAL MATERIALS SCIENCE Retraction Notice to “Application of strain gradient plasticity theory to model Charpy impact energy of functionally graded steels using modified stress-strain curve data” [Comput. Mater. Sci. 51(1) (2021) 281-289] 2021-11-01 10.1016/j.commatsci.2021.111059 Nazari Ali
763626 COMPUTATIONAL MATERIALS SCIENCE The AFLOW Library of Crystallographic Prototypes: Part 3 2021-11-01 10.1016/j.commatsci.2021.110450 Hicks David, Mehl Michael J., Esters Marco, Oses Corey, Levy Ohad, Hart Gus L.W., Toher Cormac, Curtarolo Stefano
763625 COMPUTATIONAL MATERIALS SCIENCE Molecular simulation-derived features for machine learning predictions of metal glass forming ability 2021-11-01 10.1016/j.commatsci.2021.110728 Afflerbach Benjamin T., Schultz Lane, Perepezko John H., Voyles Paul M., Szlufarska Izabela, Morgan Dane
763624 COMPUTATIONAL MATERIALS SCIENCE Multi defect detection and analysis of electron microscopy images with deep learning 2021-11-01 10.1016/j.commatsci.2021.110576 Shen Mingren, Li Guanzhao, Wu Dongxia, Liu Yuhan, Greaves Jacob R.C., Hao Wei, Krakauer Nathaniel J., Krudy Leah, Perez Jacob, Sreenivasan Varun, Sanchez Bryan, Torres-Velázquez Oigimer, Li Wei, Field Kevin G., Morgan Dane
763623 COMPUTATIONAL MATERIALS SCIENCE A crystal symmetry-invariant Kobayashi–Warren–Carter grain boundary model and its implementation using a thresholding algorithm 2021-11-01 10.1016/j.commatsci.2021.110575 Kim Jaekwang, Jacobs Matt, Osher Stanley, Admal Nikhil Chandra
763622 COMPUTATIONAL MATERIALS SCIENCE An efficient optimization based microstructure reconstruction approach with multiple loss functions 2021-11-01 10.1016/j.commatsci.2021.110709 Bhaduri Anindya, Gupta Ashwini, Olivier Audrey, Graham-Brady Lori
763621 COMPUTATIONAL MATERIALS SCIENCE Computational study of the geometric properties governing the linear mechanical behavior of fiber networks 2021-11-01 10.1016/j.commatsci.2021.110711 Davoodi Kermani Iman, Schmitter Maximilian, Eichinger Jonas F., Aydin Roland C., Cyron Christian J.
763620 COMPUTATIONAL MATERIALS SCIENCE Atomic Simulation Recipes – A Python framework and library for automated workflows 2021-11-01 10.1016/j.commatsci.2021.110731 Gjerding Morten, Skovhus Thorbjørn, Rasmussen Asbjørn, Bertoldo Fabian, Larsen Ask Hjorth, Mortensen Jens Jørgen, Thygesen Kristian Sommer
763619 COMPUTATIONAL MATERIALS SCIENCE Monte Carlo modelling of recrystallization in alpha Zirconium 2021-11-01 10.1016/j.commatsci.2021.110742 Jedrychowski Mariusz, Bacroix Brigitte, Tarasiuk Jacek, Wroński Sebastian