吴永全 - 上海大学 - 材料科学与工程学院

研究领域

液态金属及其对应晶体、玻璃的微观结构描述及非弹性光散射检测；硅酸盐熔体的微观结构及其热力学模型构建与计算；微观固液界面的结构、各向异性及凝固、熔化动力学，理论描述体系；液态金属凝固过程中的nucleation过程结构演化及其理论描述；界面的原子扩散及其结构演变；空位对所有热力学、动力学性能的影响；分子动力学模拟技术中的原子精确标定；布里渊散射理论体系的构建；布里渊散射解决液态金属粘度测量的标准统一。

近期论文

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Li R, Wu YQ, Xiao JJ. 2014. The nucleation process and the roles of structure and density fluctuations in supercooled liquid Fe. J. Chem. Phys. 140:034503 Wu YQ, Shen T, Lu XM, Zhang N, Lai LS, Gao S. 2013. Solidification of Liquid Fe with Embedded Homogeneous Solid Fe Nanoparticles from Molecular Dynamics Simulations. Acta Phys.-Chim. Sin. 29:245-9 Wu YQ, Shen T, Lu XG. 2013. Evolutions of lamellar structure during melting and solidification of Fe-9577 nanoparticle from molecular dynamics simulations. Chem. Phys. Lett. 564:41-6 Wu YQ, Lu XM, Shen T. 2013. Arrhenius relationship and two-step scheme in AF hyperdynamics simulation of diffusion of Mg/Zn interface. Trans. Nonferrous Met. Soc. China 23:508-16 Shen T, Wu YQ, Lu XG. 2013. Structural evolution of five-fold twins during the solidification of Fe-5601 nanoparticle: a molecular dynamics simulation. J. Mol. Model. 19:751-5 Shen T, Meng WJ, Wu YQ, Lu XG. 2013. Size dependence and phase transition during melting of fcc-Fe nanoparticles: A molecular dynamics simulation. Appl. Surf. Sci. 277:7-14 赖莉珊, 吴永全, 沈通, 张宁, 高帅. 2012. 纳米Al2O3颗粒对纯Fe液诱导凝固过程的分子动力学模拟. 物理化学学报 28:1347-54 高帅, 吴永全, 沈通, 张宁, 赖莉珊. 2012. Zn-Mg合金的结构分析和Zn-Mg扩散体系的物相分布. 物理化学学报 28:2037-43 王召柯, 吴永全, 沈通, 刘益虎, 蒋国昌. 2011. Zn-Mg合金的长程Finnis-Sinclair势. 物理学报 60:497-507 Wu GX, Zhang JY, Wu YQ, Li QA, Chou KC, Bao XH. 2011. Hydrogenation mechanism in lanthanum-activated magnesium films. Appl. Phys. A-Mater. Sci. Process. 102:739-45 刘益虎, 吴永全, 沈通, 王召柯, 蒋国昌. 2010. 连续升温过程中γ-Fe→δ-Fe→液态-Fe相变的分子动力学模拟. 金属学报 46:172-8 Wu GX, Zhang JY, Li QA, Wu YQ, Chou KC, Bao XH. 2010. Dehydrogenation kinetics of magnesium hydride investigated by DFT and experiment. Comput. Mater. Sci. 49:S144-S9 Wu GX, Zhang JY, Wu YQ, Li Q, Chou KC, Bao XH. 2009. Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0001) surface. Appl. Surf. Sci. 255:6338-44 Wu GX, Zhang JY, Wu YQ, Li Q, Chou KC, Bao XH. 2009. Adsorption and dissociation of hydrogen on MgO surface: A first-principles study. J. Alloy. Compd. 480:788-93 Wu GX, Zhang JY, Wu YQ, Li Q, Chou KC, Bao XH. 2009. The effect of defects on the hydrogenation in Mg (0001) surface. Appl. Surf. Sci. 256:46-51 胡志刚, 吴永全, 沈通, 王召柯, 刘益虎. 2009. 用于α-Al2O3分子动力学模拟的长程Finnis-Sinclair势函数. 物理学报 58:7838-44