Atomistic Modeling of Symmetric and Asymmetric Σ5 $$\left\langle {{\text{001}}} \right\rangle $$ Tilt Grain Boundaries in Niobium: Structure, Energy, Point Defects, and Grain-Boundary Self-Diffusion
Author:
Publisher
Pleiades Publishing Ltd
Subject
Materials Chemistry,Condensed Matter Physics
Link
https://link.springer.com/content/pdf/10.1134/S0031918X23601105.pdf
Reference25 articles.
1. A. P. Sutton and R. W. Balluffi, Interfaces in Crystalline Materials (Clarendon Press, Oxford, 1995).
2. Z.-H. Liu, Ya-X. Feng, and J.-X. Shang, “Characterizing twist grain boundaries in BCC Nb by molecular simulation: Structure and shear deformation,” Appl. Surf. Sci. 370, 19–24 (2016). https://doi.org/10.1016/j.apsusc.2016.02.097
3. D. Singh and A. Parashar, “Effect of symmetric and asymmetric tilt grain boundaries on the tensile behaviour of bcc-niobium,” Comput. Mater. Sci. 143, 126–132 (2018). https://doi.org/10.1016/j.commatsci.2017.11.005
4. D. Singh, P. Sharma, and A. Parashar, “Atomistic simulations to study point defect dynamics in bi-crystalline niobium,” Mater. Chem. Phys. 255, 123628 (2020). https://doi.org/10.1016/j.matchemphys.2020.123628
5. D. Singh and A. A. Parashar, “A comparison between ∑3 asymmetrical tilt grain boundary energies in niobium obtained analytically and through molecular dynamics based simulations,” Mater. Sci. Forum 998, 179–184 (2020). https://doi.org/10.4028/www.scientific.net/msf.998.179
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