403 citations
- Northwestern Polytechnical UniversityCN24 papers
- Instituto de Ciencia de Materiales de MadridES4 papers
- Xi'an University of TechnologyCN4 papers
- Ministry of Industry and Information TechnologyCN3 papers
- China XD Group (China)CN2 papers
- Consejo Superior de Investigaciones CientíficasES2 papers
- Leibniz Institute for Solid State and Materials ResearchDE2 papers
- Science FactoryUS2 papers
- Skolkovo Institute of Science and TechnologyRU2 papers
- University of Illinois Urbana-ChampaignUS2 papers
- Charlottesville Medical ResearchUS1 paper
- Chinese Academy of SciencesCN1 paper
12 papers · 1 filter
Novel MAB phases and insights into their exfoliation into 2D MBenes
Mohammad Khazaei, Junjie Wang, Mehdi Estili +5
Considering the recent breakthroughs in the synthesis of novel two-dimensional (2D) materials from layered bulk structures, ternary layered transition metal borides, known as MAB p…
Mechanical relaxation and fracture of phase field crystals
Wenquan Zhou, Jincheng Wang, Zhijun Wang +1
A computational method is developed for the study of mechanical response and fracture behavior of phase field crystals (PFC), to overcome a limitation of the PFC dynamics which lac…
Ternary Inorganic Electrides with mixed bonding
Junjie Wang, Qiang Zhu, Zhenhai Wang +1
A high-throughput screening based on first-principles calculations was performed to search for new ternary inorganic electrides. From the available materials database, we identifie…
Towards Air Stability of Ultra-Thin GaSe Devices: Avoiding Environmental and Laser-Induced Degradation by Encapsulation
Qinghua Zhao, Riccardo Frisenda, Patricia Gant +7
Gallium selenide (GaSe) is a novel two-dimensional material, which belongs to the layered III-VIA semiconductors family and attracted interest recently as it displays single-photon…
Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning
Evgeny V. Podryabinkin, Evgeny V. Tikhonov, Alexander V. Shapeev +1
In this letter we propose a new methodology for crystal structure prediction, which is based on the evolutionary algorithm USPEX and the machine-learning interatomic potentials act…
Phase separation of metastable CoCrFeNi high entropy alloy at intermediate temperatures
Feng He, Zhijun Wang, Qingfeng Wu +3
The CoCrFeNi alloy is widely accepted as an exemplary stable base for high entropy alloys (HEAs). Although various investigations prove it to be stable solid solution, its phase st…