206 citations · 379 across the 10 of their papers we have counts for
10 papers
Atomistic modelling of all dislocations and twins in HCP and BCC Ti
Tongqi Wen, Anwen Liu, Rui Wang +5
Ti exhibits complex plastic deformation controlled by active dislocation and twinning systems. Understandings on dislocation cores and twin interfaces are currently not complete or…
Classical and Machine Learning Interatomic Potentials for BCC Vanadium
Rui Wang, Xiaoxiao Ma, Linfeng Zhang +4
BCC transition metals (TMs) exhibit complex temperature and strain-rate dependent plastic deformation behaviour controlled by individual crystal lattice defects. Classical empirica…
Deep Potentials for Materials Science
Tongqi Wen, Linfeng Zhang, Han Wang +2
To fill the gap between accurate (and expensive) ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials, a new class of descriptions o…
Short- and medium-range orders in Al90Tb10 glass and their relation to the structures of competing crystalline phases
L. Tang, Z. J. Yang, T. Q. Wen +3
Molecular dynamics simulations using an interatomic potential developed by artificial neural network deep machine learning are performed to study the local structural order in Al90…
Development of Interatomic Potential for Al-Tb Alloy by Deep Neural Network Learning Method
L. Tang, Z. J. Yang, T. Q. Wen +3
An interatomic potential for Al-Tb alloy around the composition of Al90Tb10 was developed using the deep neural network (DNN) learning method. The atomic configurations and the cor…
Synthesis of superfine high-entropy metal diboride powders
Da Liu, Tongqi Wen, Beilin Ye +1
High-purity and superfine high-entropy metal diboride powders, namely (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, were successfully synthesized via a facile borothermal reduction method at 1973…
First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic
Beilin Ye, Tongqi Wen, Manh Cuong Nguyen +3
The formation possibility of a new (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic (ZHC-1) was first analyzed by the first-principles calculations and thermodynamical analysis and…
Effects of Si solute on the glass formation and atomic structure of Pd liquid
Z. J. Yang, L. Tang, T. Q. Wen +2
Molecular dynamics simulations were performed to study the effects of Si solute on the glass formation and crystallization of Pd liquid. Pure Pd sample prepared by quenching proces…
Structural and Chemical Orders in Ni64.5Zr35.5 Metallic Glass by Molecular Dynamics Simulation
Ling Tang, Tongqi Wen, Nan Wang +5
The atomic structure of Ni64.5Zr35.5 metallic glass has been investigated by molecular dynamics (MD) simulations. The calculated structure factors from the MD glassy sample at room…
Structures and magnetic properties of iron silicide from adaptive genetic algorithm and first-principles calculations
Zejin Yang, Shunqing Wu, Xin Zhao +7
We performed a systematic search for low-energy structures of binary iron silicide over a wide range of compositions using the crystal structure prediction method based on adaptive…