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[1] Y.F. Li, Bing Xiao*, Liang Sun, X.Z. Wang, Yimin Gao, Yiran Wang, Phonon spectrum, IR and Raman modes, thermal expansion tensor and thermal physical properties of M2TiAlC2 (M=Cr, Mo, W), Computational Materials Science, 2017, 134: 67. [2] Y.F. Li, Bing Xiao, Liang Sun, Yimin Gao, Shengqiang Ma, Dawei Yi. Pressure Dependence of Thermal Physical Properties of A-type R2O3 (R=Y, La): A First-principles Study, Journal of Physics and Chemistry of Solids, 2017, 103: 49-58. [3] Y.F. Li, Liang Sun, Yangzhen Liu, Pressure dependence of physical properties of (W2/3Ti1/3)3AlC2 and its counterpart W3AlC2 by first principles calculations, Modern Physics Letters B, 2017, 31 (34): 1750326. [4] Y.F. Li, B. Xiao, L. Sun, Y.M. Gao, Y.H. Cheng, Phonon optics, thermal expansion tensor, thermodynamic and chemical bonding properties of Al4SiC4 and Al4Si2C5: a first-principles study. RSC Advance, 2016, 6: 43191. [5] Y.F. Li, B. Xiao, L. Sun, Y.M. Gao, Y.H. Cheng, A theoretical study of dielectric tensor, born effective charges, LO-TO splitting and infrared response of Al4SiC4 and Al4Si2C5. Journal of Alloys and Compounds, 2016, 692 (25): 713-719. [6] Y.F. Li, B. Xiao, Y.M. Gao, Y.H. Cheng, Theoretical study of anisotropic structural, electronic, mechanical and thermodynamic properties of rare-earth (R=Y, La) oxysulfides. Computational Materials Science, 2016, 125: 154-167. [7] Y.F. Li, Y.C. Ding, B. Xiao, Y.H. Cheng, Anisotropic electrical and lattice transport properties of ordered quaternary phases Cr2TiAlC2 and Mo2TiAlC2: A first principles study, Physics Letters A, 2016, 380 (44): 3748-3755. [8] Yefei Li, Shuli Tang, Yimin Gao, Shengqiang Ma, Qiaoling Zheng, Yonghong Cheng, Mechanical and thermodynamic properites of intermetallic compounds in the Ni-Ti system, International Journal of Modern Physics B, 2017, 31: 1750161. [9] Y.F. Li, K Matsuura, M Ohno, Yimin Gao, J Yu. Combustion synthesis of TiB2 based hard material cemented by Fe-Al intermetallics [J]. Powder Metallurgy, 55 (2): 162-167, 2012. [10] Y.F. Li, G.L.Wang, Y.M. Gao, S.Q. Ma, S.L. Tang. First-principles study on the adhesion, electronic structure, and bonding of Fe/TiB2 interface [C]. The 9th Cross-strait Workshop on the Engineering Materials, Tainan, China, November 7-8, 2014: 25-37. [11] Y.F. Li, Y.M. Gao, Y.H. Cheng, Z.F. Huang, S.Z. Hou, S.L. Tang and S.Q. Ma. A study of interface property of Fe/WC composites both from ab initio calculations and experiments [C]. Advanced Metals, Ceramics and Composites Part II: The 12th China-Russia Symposium on Advanced Materials and Technologies, Kunming, Yunnan, November 19-22, 2013: 503-507. [12] Shuli Tang, Yefei Li*, Yiran Wang, Yimin Gao, Q.L. Zheng, D.W. Yi, Theoretical study of mechanical and thermodynamic properties of titanium oxides TixOy, Materials Chemistry and Physics, Accept. [13] L. Sun, Y.M. Gao, B. Xiao, Y.F. Li* and G.L. Wang. Anisotropic elastic and thermal properties of titanium borides by first-principles calculations [J]. Journal of Alloys and Compounds, 2013, 579(5): 457-467. [14] L. Sun, Y.M. Gao, Y.F. Li*, D.W. Yi. Structural, bonding, anisotropic mechanical and thermal properties of Al4SiC4 and Al4Si2C5 by first-principles investigations. Journal of Asian Ceramic Societies,2016, 4: 289-298. [15] L. Sun, Y.M. Gao, K. Yoshida, T. Yano, Y.F. Li*, Structure, mechanical, thermal and electronic properties of Al4Si2C5 under high pressure by DFT calculation, International Journal of Modern Physics B, 2016, 30: 1750012. [16] Y.Z. Liu, J.D. Xing, Y.F. Li*, Y. Wang, Effect of carbon equivalent on thermal and mechanical properites of compacted graphite cast iron. Journal of Materials Research, 2016, 31 (16): 2516-2523. [17] Y.Z. Liu, J.D. Xing, Y.F. Li*, J. Tan, L. Sun, J.B.Yan. Mechanical properites and anisotropy of thermal conductivity of Fe3-xCrxO4 (x=1-3), Journal of Materials Research, 2016, on line. [18] G.L. Wang, Y.F. Li*, Y.M. Gao, Y.H. Cheng. Theoretical study of structural, mechanical, thermal and electronic properties of Ti3B4 with Ta3B4 structure under high pressure. Computational Materials Science, 2015, 104: 29-34. [19] R.P. Gao, Y.F. Li*. Theoretical study on the electronic structure, mechanical property, and thermal expansion of yttrium oxysulfides. International Journal of Computational Materials Science and Engineering, 2015, 4 (1): 1550004. [20] K.H. Zheng, Y.M. Gao, S.L. Tang, Y.F. Li*, S.Q. Ma. Interface structure and wear behavior of Cr26 ferrous matrix surface composites reinforced with CTCP [J]. Tribology Letters, 2014, 54 (1): 15-23
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