极端环境陶瓷材料结构设计和性能多尺度模拟

结合极端环境应用对陶瓷材料的性能要求，重点在碳/氮化物陶瓷新材料结构性能预测、准塑性、抗辐照损伤、热膨胀行为及复合材料界面相设计等领域做了深入的研究工作。研究成果在Acta Mater.、J. Phys.: Condens. Matter.、J. Am. Ceram. Soc. 、Phys. Chem. Chem. Phys.等国际学术杂志上发表SCI论文44篇，被引920余次。
代表性论文：     
1.J. M. Wang, Z. M. Liu, H. B. Zhang, J. Y. Wang. Tailoring Magnetic Properties of MAX Phases, a Theoretical Investigation of (Cr2Ti)AlC2 and Cr2AlC. J. Am. Ceram. Soc., 2016 (99): 3371–3375
2.J. M. Wang, B. Liu, J. Y. Wang*, and Y. C. Zhou. Theoretical investigation of thermodynamic stability and mobility of the intrinsic point defects in Ti3AC2 (A = Si, Al). Phys. Chem. Chem. Phys.. 2015(17): 8927-8934.
3.J. M. Wang, J. Y. Wang*, A. J. Li, J. J. Li, and Y. C. Zhou. Theoretical study on the mchanism of anisotropic thermal properties of Ti2AlC and Cr2AlC. J. Am. Ceram. Soc.. 2014(97): 1202-1208.
4.J. M. Wang, J. Y. Wang*, F. Z. Li, and Y. C. Zhou. Relationship between layered crystal structure and mechanical properties of M3AlN (M= Zr and Hf): a first-principles investigation. J. Mater. Res.. 2009(24): 3523-353
5.J. M. Wang, J. Y. Wang*, Y. C. Zhou, and C. F. Hu. Phase stability, electronic structure and mechanical properties of ternary-layered carbide Nb4AlC3: An ab initio study. Acta Mater.. 2008(56): 1511-1518.
J. M. Wang, J. Y. Wang*, and Y. C. Zhou. Stable M2AlC (0001) surfaces (M=Ti, V and Cr) by first-principles investigation. J. Phys.: Condens. Matter.. 2008(20): 225006.