164 citations · 234 across the 11 of their papers we have counts for
11 papers
Equilibrium distribution and diffusion of mixed hydrogen-methane gas in gravity field
Shiyao Peng, Qiao He, Ducheng Peng +8
Repurposing existing natural gas pipelines is a promising solution for large-scale transportation of mixed hydrogen-methane gas. However, it remains debatable whether gravitational…
Symmetry-breaking-induced multifunctionalities of two-dimensional chromium-based materials for nanoelectronics and clean energy conversion
Lei Li, Tao Huang, Kun Liang +5
Structural symmetry-breaking that could lead to exotic physical properties plays a crucial role in determining the functions of a system, especially for two-dimensional (2D) materi…
Pattern formation during nonequilibrium crystallization by classical-density-functional-based approach
Kun Wang, Shifang Xiao, Jun Chen +1
Solidification pattern during nonequilibrium crystallization is among the most important microstructures in the nature and technical realms. Phase field crystal (PFC) model could s…
Algorithm for generating irreducible site-occupancy configurations
Ji-Chun Lian, Hong-Yu Wu, Wei-Qing Huang +2
Generating irreducible site-occupancy configurations by taking advantage of crystal symmetry is a ubiquitous method for accelerating of disordered structure prediction, which plays…
Substrate-induced magnetism and topological phase transition in silicene
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
Silicene has shown great application potential as a versatile material for nanoelectronics, particularly promising as building block for spintronic applications. Unfortunately, des…
Can the quantum spin Hall state of silicene be preserved on substrate
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
The substrate-induced topological phase transition of silience is a formidable obstacle for developing silicene-based materials and devices for compatibility with current electroni…
Interfacial interaction in monolayer transition metal dichalcogenides (MX2)/metal oxide heterostructures and its effects on electronic and optical properties: The case of MX2/CeO2
Ke Yang, Wei-Qing Huang, Wangyu Hu +2
Two-dimensional transition metal dichalcogenides (MX2)/metal oxide heterostructures have shown unique physical properties, making them promising materials for various applications…
2D MoS2-Graphene-based multilayer van der Waals heterostructures: Enhanced charge transfer and optical absorption, and electric-field tunable Dirac point and band gap
Liang Xu, Wei-Qing Huang, Wangyu Hu +3
Multilayer van der Waals (vdWs) heterostructures assembled by diverse atomically thin layers have demonstrated a wide range of fascinating phenomena and novel applications. Underst…
Phase Transition of Iron-based Single Crystals at Extreme Strain Rates under Dynamic Loadings
Kun Wang, Jun Chen, Wenjun Zhu +2
Phase transition of iron, as a prototype of martensite phase transition under dynamic loadings, exhibits huge diverges in its TP among experiments with different pressure medium an…
A New Embedded-Atom Method Approach Based On the p-th Moment Approximation
Kun Wang, Wenjun Zhu, Shifang Xiao +2
Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatom…
Atomistic modeling of the anomalous helium behaviors in vanadium
Nengwen Hu, Canglong Wang, Huiqiu Deng +4
Ab initio calculations have been performed to clarify the primary behaviors of He atoms in vanadium and to generate the database for the development of the interatomic potential fo…