Atomistic Insights into Grain Boundaries and Dislocations in Metals and Alloys

Dear Colleagues,

Dislocations and grain boundaries are two of the most critical microstructural defects in crystalline metals and alloys. Their interactions, dynamics, and evolution significantly influence a wide range of mechanical properties, including strength, ductility, creep resistance, and fracture behavior, as well as their functional properties. A deep understanding of these defects, both individually and synergistically, is essential for advancing the development and performance of metallic materials, especially under extreme service conditions.

This Special Issue aims to bring together recent advances in the understanding, characterization, modeling, and engineering of dislocations and grain boundaries in both conventional and advanced metallic systems. We welcome original research articles and reviews that explore experimental, theoretical, and computational investigations across multiple lengths and time scales. Submissions addressing both fundamental mechanisms and application-driven engineering are highly encouraged.

Topics of interest include, but are not limited to, the following:

• Dislocation dynamics and mechanisms of plastic deformation;
• Grain boundary structure, mobility, and transformations;
• tomistic insight into dislocation–grain boundary interactions;
• Multiscale modeling and simulation (DFT, MD, DD, CP, etc.);
• In situ and advanced characterization techniques;
• Defect engineering for improved mechanical performance;
• The role of defects in fatigue, creep, and fracture processes;
• Microstructure–property relationships in conventional and advanced alloys.

We encourage submissions from researchers working across disciplines to foster interdisciplinary insights and spark innovation in defect physics and materials engineering.

We look forward to receiving your contributions.

Dr. Fengxian Liu
Dr. Zhida Liang
Prof. Dr. Xufei Lu
Guest Editors

Dr. Xiangru Guo
Guest Editor Assistant

Manuscript Submission Information

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