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University of Nebraska - Lincoln

Molecular dynamics

Other Mechanical Engineering

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Full-Text Articles in Engineering

Atomistic Simulations Of Twin Facets Associated With Three-Dimensional { []011 } Twins In Magnesium, Qiyu Zeng, Mingyu Gong, Houyu Ma, Yao Shen, Jian-Feng Nie, Jian Wang, Yue Liu Jul 2023

Atomistic Simulations Of Twin Facets Associated With Three-Dimensional { []011 } Twins In Magnesium, Qiyu Zeng, Mingyu Gong, Houyu Ma, Yao Shen, Jian-Feng Nie, Jian Wang, Yue Liu

Department of Mechanical and Materials Engineering: Faculty Publications

Twinning is a deformation mechanism that creates three-dimensional (3D) twin domains through the migration of twin facets. This occurs via the nucleation and glide of twinning disconnections (TDs), which can pile up to create twin facets. A comprehensive under- standing of twin facets associated with 3D twins, including their atomic structures and energies, is crucial for understanding deformation twinning. In this study, we propose a molecular statics/dynamics (MS/MD) approach to determine characteristic twin facets enclosing 3D non-equilibrium/equilibrium { [] 011 } twin domains, which has been much less studied than the counterpart { [] 012 } twin domains. The stability …


Interactions Between Dislocations And Three-Dimensional Annealing Twins In Face Centered Cubic Metals, Yanxiang Liang, Xiaofang Yang, Mingyu Gong, Guisen Liu, Qing Liu, Jian Wang Mar 2019

Interactions Between Dislocations And Three-Dimensional Annealing Twins In Face Centered Cubic Metals, Yanxiang Liang, Xiaofang Yang, Mingyu Gong, Guisen Liu, Qing Liu, Jian Wang

Department of Mechanical and Materials Engineering: Faculty Publications

Annealing twins often form in metals with a face centered cubic structure during thermal and mechanical processing. Here, we conducted molecular dynamic (MD) simulations for copper and aluminum to study the interaction processes between {1 1 1}1/2 <1 1 0> dislocations and a three-dimensional annealing twin. Twin boundaries are characterized with Σ3{1 1 1} coherent twin boundaries (CTBs) and Σ3{1 1 2} incoherent twin boundaries (ITBs). MD results revealed that dislocation-ITB interactions affect slip transmission for a dislocation crossing CTBs, facilitating the nucleation of Lomer dislocation.