(1)Lu Wang, Jia-Xiang Shang*, Fu-He Wang, Yue Chen, and Yue Zhang, Oxygen adsorptions on the γ-TiAl surfaces and the related surface phase diagrams: A density-functional theory study, Acta Materialia 61(2013)1726-1738.
(2)Qing-Gao Wang and Jia-Xiang Shang*, ZongxianYang, First-Principles Study on the Initial Oxidization of Nb(100) Surface, The Journal of Physical Chemeistry C116(2012)23371
(3)Shi-Yu Liu, Jia-Xiang Shang*, Fu-He Wang and Yue Zhang, Ab initio study of surface self-segregation effect on the adsorption of oxygen on the γ-TiAl(111) surface, Phys. Rev. B79 (2009) 075419.
(4)Shi-Yu Liu, Jia-Xiang Shang*, Fu-He Wang, Shi-Yang Liu, Yue Zhang and Hui-Bin Xu, Ab initio atomistic thermodynamics study on the selective oxidation mechanism of intermetallic compounds surfaces, Phys. Rev. B80 (2009)085414.
(5)Chen Yue, T. Hammerschmidt, D. G. Pettifor, Jia-Xiang Shang* and Yue Zhang, Influence of vibrational entropy on structural stability of Nb-Si and Mo-Si systems at elevated temperatures, Acta Materialia 57(2009) 2657
(6)Yue Chen, Jia-Xiang Shang* and Yue Zhang, Bonding characteristics and site occupancies of alloying elements in different Nb5Si3 phases from first-principles, Phys. Rev. B 76 (2007) 184204.
(7)Shi-Yu Liu, Jia-Xiang Shang, Fu-He Wang, Shiyang Liu, Yue Zhang et al. Oxidation of the two-phase Nb/Nb5Si3 composite: The role of energetics, thermodynamics, segregation, and interfaces. The Journal of Chemical Physics 138 (2013)014708
(8)Chen Yue*, A. N. Kolmogorov, D. G. Pettifor, Jia-Xiang Shang and Yue Zhang, Theoretical analysis of structural stability of TM5Si3 transition metal silicides, Phys. Rev. B 82 (2010) 184104
(9)Zhiyong Qiu, Jia-Xiang Shang, Xiaofang Bi, Shengkai Gong and Huibin Xu*, Study of electronic structure in Co/Al2O3/Co heterojunctions from first-principles, Acta Materalia 52 (2004) 537-537.
(10)Jie Chen, Yan Li, Jia-Xiang Shang and Huibin Xu*, First-principles calculations on martensitic transformation and phase stability of Ni-Mn-Ga high temperature shape memory alloy, Applied Physics Letters 89 (2006) 231921.
(11)Jia-Xiang Shang, Chong-Yu Wang, First-principles investigation of brittle cleavage fracture of Fe grain boundaries, Phys. Rev. B 66,(2002)184105.