Dr. Zhao’s current research focuses on chemically disordered materials (high-entropy materials) through a combination of computational materials science and machine learning techniques. Specifically, his group aims to understand surface effects, defect thermodynamics, and defect evolution in different materials under deformation or irradiation conditions. For this purpose, different simulation techniques at different scales are concurrently or sequentially employed. He has authored or co-authored more than 100 technical papers in different scientific journals, including Acta Mater, Nat Mater, Joule, Mater Today, and Nat Comm with more than 5000 citations and a H-index of 38.
The group is actively seeking for PhD candidates with background in computational material science, machine learning, computer science, and engineering. Currently we are looking for highly motivated Ph.D. candidates and Postdoc to join us, especially those who has a programing background.
Note:
Feel free to email me if you are interested.
Applicants should have good scores in their major required courses (>80).
Applicants should have satisfactory English Proficiency Requirements in IELTS (6.5 or above) or TOEFL (internet-based: 79 or above). CityU Ph.D. studentship is 18,500 HKD/month, while 27,000 HKD/month for HKPFS will be offered to successful applicants. For more information, please refer to their websites.
Previous Experience
- 2015 - 2018, Postdoc, Oak Ridge National Laboratory.
- 2013 - 2015, Postdoc, Peking University.
Research Grants
- Designing Self-healing High Entropy Alloys for Advanced Nuclear Applications, Collaborative Research Fund, Co-PI.
- Developing High-Performance High Entropy Carbide Ceramics Used as Hot-Bending Die for Aspheric Optical Lens Fabrication, Innovation and Technology Fund, PI.
- Evaluation of irradiation performance of body-centered cubic high-entropy alloys, Basic Research General Program of Shenzhen, PI.
- Investigation of dislocation-defect interactions in concentrated solid solution alloys (high-entropy alloys), National Natural Science Foundation of China, PI.
- Investigation of doping effects on concentrated solid solution alloys (high entropy alloys), General Research Fund (Early Career Scheme), PI.
- Irradiation damage mechanism of multicomponent transition metal carbides, General Research Fund, PI.
- Study on the element partition and deformation mechanism of multi-principal intermetallic compounds, Guangdong Province Natural Science Fund General Programme , PI.
Journal
- Zhao, Shijun. , Liu, Bin. , Samolyuk, German D. , Zhang, Yanwen. & Weber, William J. (2020). Alloying effects on low‒energy recoil events in concentrated solid‒solution alloys. Journal of Nuclear Materials. 529. 151941 .
- Zhao, Shijun. (2020). Defect properties in a VTaCrW equiatomic high entropy alloy (HEA) with the body centered cubic (bcc) structure. Journal of Materials Science & Technology. 44. 133 .
- Zhao, Shijun. (2020). Fluctuations in stacking fault energies improve irradiation tolerance of concentrated solid-solution alloys. Journal of Nuclear Materials. 530. 151886 .
- Zhao, Shijun. (2020). On the role of heterogeneity in concentrated solid-solution alloys in enhancing their irradiation resistance. Journal of Materials Research. 35. 1103 - 1112.
- Tong, Yang. , Zhao, Shijun. , Bei, Hongbin. , Egami, Takeshi. , Zhang, Yanwen. & Zhang, Fuxiang. (2020). Severe local lattice distortion in Zr-and/or Hf-containing refractory multi-principal element alloys. Acta Materialia. 183. 172 .
- Li, Yiran. , Li, Na. , Zhao, Shijun. , Fan, Jun. & Kai, Ji-Jung. (2020). Strain-tunable electronic properties and lithium storage of 2D transition metal carbide (MXene) Ti2CO2 as a flexible electrode. Journal of Materials Chemistry A. 8. 760 .
- Zhao, Shijun. , Osetsky, Yuri. & Zhang, Yanwen. (2019). Atomistic simulation of defect-dislocation interactions in concentrated solid-solution alloys. Physical Review Materials. 3. 103602 .
- Zhao, Shijun. , Osetsky, Yuri. & Zhang, Yanwen. (2019). Diffusion of point defects in ordered and disordered Ni–Fe alloys. Journal of Alloys and Compounds. 805. 1175 .
- Zhao, Shijun. , Chen, Da. & Kai, Ji-Jung. (2019). First-principles study of He behavior in a NiCoFeCr concentrated solid solution alloy. Materials Research Letters. 7. 188 .
- Zhao, Shijun. , Osetsky, Yuri. , Barashev, Alexander. & Zhang, Yanwen. (2019). Frenkel defect recombination in Ni and Ni‒containing concentrated solid‒solution alloys. Acta Materialia. 173. 184 .
- Zhao, Shijun. , Osetsky, Yuri. , Stocks, Malcolm. & Zhang, Yanwen. (2019). Local-environment dependence of stacking fault energies in concentrated solid-solution alloys. npj Computational Materials. 5. 13 .
- Zhao, Shijun. , Egami, Takeshi. , Stocks, Malcolm. & Zhang, Yanwen. (2018). Effect of d electrons on defect properties in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys. Physical Review Materials. 2. 013602 .
- Zhao, Shijun. , Zhang, Yanwen. & Weber, William J. (2018). Stability of vacancy-type defect clusters in Ni based on first-principles and molecular dynamics simulations. Scripta Materialia. 145. 71 .
- Zhang, Yanwen. , Zhao, Shijun. , Weber, William J. , Nordlund, Kai. , Granberg, Fredric. & Djurabekova, Flyura. (2017). Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys. Current Opinion in Solid State and Materials Science. 21. 221 .
- Zhao, Shijun. , Osetsky, Yuri. & Zhang, Yanwen. (2017). Atomic-scale dynamics of edge dislocations in Ni and concentrated solid solution NiFe alloys. Journal of Alloys and Compounds. 701. 1003 .
- Zhao, Shijun. , Osetsky, Yuri. & Zhang, Yanwen. (2017). Preferential diffusion in concentrated solid solution alloys: NiFe, NiCo and NiCoCr. Acta Materialia. 128. 391 .
- Zhao, Shijun. , Malcolm, Stocks. & Zhang, Yanwen. (2017). Stacking fault energies of face-centered cubic concentrated solid solution alloys. Acta Materialia. 134. 334 - 345.
- Zhao, Shijun. , Velisa, Gihan. , Xue, Haizhou. , Bei, Hongbin. , Weber, William J. & Zhang, Yanwen. (2017). Suppression of vacancy cluster growth in concentrated solid solution alloys. Acta Materialia. 125. 231 .
- Zhao, Shijun. , Stocks, Malcolm. & Zhang, Yanwen. (2016). Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2. Physical Chemistry Chemical Physics. 18. 24043 .
- Zhao, Shijun. & Xue, Jianming. (2015). Modification of graphene supported on SiO2 substrate with swift heavy ions from atomistic simulation point. Carbon. 93. 169 .
- Zhao, Shijun. , Kang, Wei. & Xue, Jianming. (2014). Manipulation of electronic and magnetic properties of M2C (M= Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains. Applied Physics Letters. 104. 133106 .
- Zhao, Shijun. , Wei, Kang. & Xue, Jianming. (2014). The potential applications of phosphorene as anode materials in Li-ion batteries. Journal of Materials Chemistry A. 2. 190046 .
- Zhao, Shijun. , Xue, Jianming. & Kang, Wei. (2013). Ion selection of charge-modified large nanopores in a graphene sheet. Journal of Chemical Physics. 139. 114702 .
- Zhao, Shijun. & Xue, Jianming. (2013). Mechanical properties of hybrid graphene and hexagonal boron nitride sheet as revealed by molecular dynamics simulations. Journal of Physics D: Applied Physics. 46. 135303 .
- Zhao, Shijun. & Xue, Jianming. (2012). Tuning the band gap of bilayer graphene by ion implantation: insight from computational studies. Physical Review B. 86. 165428 .
Service in CityU
Teaching Service
- 2019 - Now, Undergraduate, Engineering Computing.
- 2019 - 2020, Undergraduate, Engineering Graphics.
- 2019 - Now, Graduate, Thermodynamics and dynamics.
Other services
- Reviewer for journals: Journal of Material Chemistry A, Acta Materialia, Scripta Materialia, Journal of Material Chemistry C, Computational Materials Science, International Journal of Hydrogen Energy, Journal of Physics: Condensed Matter, Journal of Metal (JOM), Intermetallics, Advanced Engineering Materials, Nuclear Instruments and Methods in Physics Research B, Material Research Express, Journal of Alloys and Compounds, Journal of Physical Chemistry C, Carbon, ACS Applied Materials & Interfaces, Journal of Physical Chemistry Letters, and 2D Materials.
Last update date :
22 Oct 2024
