2024 journal article

Computational Characterization of the Structure, Energy, Strengths, and Fracture Resistances of Symmetric Tilt Grain Boundaries in Ice

ACS APPLIED MATERIALS & INTERFACES, 17(1), 2541–2555.

By: H. Li*, T. Phan n, L. Zhang, S. Xu*, A. Bastawros*, H. Hu*, L. Xiong n

author keywords: ice; grain boundaries; cohesivestrength; fracture; atomistic and multiscale simulations
Source: Web Of Science
Added: January 13, 2025

2024 journal article

Multiscale computational analysis of crack initiation at the grain boundaries in hydrogen-charged bi-crystalline alpha-iron

INTERNATIONAL JOURNAL OF PLASTICITY, 184.

By: Y. Peng, T. Phan*, H. Zhai, L. Xiong* & X. Zhang

author keywords: Hydrogen embrittlement; Grain boundaries; Cavitation; Crack initiation and growth; Dislocation; Diffusion; Atomistic-to-continuum simulations
Source: Web Of Science
Added: December 23, 2024

2023 journal article

An atomistic-to-microscale characterization of the kink-controlled dislocation dynamics in bcc metals through finite-temperature coarse-grained atomistic simulations

ACTA MATERIALIA, 262.

author keywords: Kink; Dislocation mobility; Atomistic and multiscale simulations; Stress; Temperature
Source: Web Of Science
Added: November 20, 2023

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