The group conducts first principles calculation of the fundamental properties of metals, intermetallic compounds, and alloys. Our current interests include understanding the stability of metastable phases in Ti-TM systems, the oxidation of Ti/Zr and gamma-TiAl based alloys, and the martensitic transformations of shape memory alloys such as TiNi and Ni2MnGa.

Group Members
Staff: Dr Qingmiao Hu
Ph.D. students: Chunmei Li, Hubin Luo.
M.Sc. students: Linggang Zhu.
Graduated students (former members):  Jianmin Lu (PhD, present position: postdoctoral associate at University of South Carolina, USA); Song Lu (MSc, present position: PhD student at Royal Institute of Technology, Sweden); Yufei Zhao (MSc).

Areas of Research
Study of structural defects, phase transformation, mechanical behaviour and thermodynamic properties of engineering materials, using first principles calculation. Methods employed include: exact Muffin-Tin obital + coherent potential approximation (EMTO-CPA); first principles plane-wave pseudopotential method (VASP/CASTEP); full potential linear augmented plane wave method (WIEN2K).

International Collaboration

Professor L. Vitos, Applied Materials Physics Group, Department of MSE, Royal Institute of Technology (Sweden)
Professor S.E. Kulkova, Institute of Strength Physics and Materials Science, Russian Academy of Science (Russia)
Professor D.I. Bazhanov, Faculty of Physics, Moscow State University (Russia)
Dr F.X. Yin, National Institute for Materials Science (Japan)

2. Computation & design of engineering alloys group

Group Leader
Dr Qingmiao HU
Tel: 024 2397 1813
Fax: 024 2389 1320

• PhD, Institute of Metal Research, CAS, China (2001)
• MSc, Northeastern University, China (1998)
• BSc, Northeastern University, China (1993)

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