“创新驱动、优体强翼”的大学物理课程体系构建

本文介绍了成都理工大学数理学院大学物理教学部“大学物理”课程体系的构建与实践,本大学物理课程依托中国大学慕课、超星学习通等在线平台,构建了以教师教学引导、学生自主学习、人才培养为核心的线上线下教学模式.本文以育人创新为核心驱动力,优化了大学物理课程教学体系,强化了创新教学内容、创新教学模式、创新课程考核机制和创新能力培养方式,并对创新效果和存在的“痛点”问题进行了分析总结,探索并构建了“创新驱动、优体强翼”的大学物理课程体系.     

密度泛函理论研究MN@H_2O (M=Ga,Ge, In,Sn, Sb; N=M,Al)团簇的特性

采用密度泛函理论的B3LYP, B3P86, B1B95, P3PW91和PBE1PBE方法结合SDD, LANL2DZ和CEP-121G基组计算了d~(10)组态二聚物MN(M=Ga, Ge, In, Sn和Sb; N=M和Al)的几何结构.采用B3P86/SDD进一步研究了MN@H_2O团簇的几何结构及吸附能.结果表明,水分子结合在二聚物M_2上时,对二聚物影响较大,对水分子自身影响较小.将M_2中Ga, Ge, In, Sn或Sb替换一个原子为Al时,水分子在GeAl和SnAl上的吸附能变化较大,而在GaAl, InAl和SbAl上吸附能变化较小.另外, H_2O吸附在Ga, Ge, In, Sn和Sb上时,与吸附在Al上时,吸附能的变化不大.     

基于唯象理论的蒸发速率的分析与启示

改变以往以实验为主的研究思路,尝试从唯象理论角度对蒸发速率分析与定量计算.在无风条件下导出了蒸发速率的基本公式,分析结果显示最主要的影响因素是温度与湿度,且蒸发速率在温度一定时与湿度存在线性关系.与道尔顿蒸发模型的比较,得到了道尔顿模型参数的物理含义.在非线性区和引入风速两种情况下,计算出无风条件下蒸发唯象系数的具体表达式.非线性模型结果与实验结果较好吻合;风速模型与实验数据经比较后也显示一定的合理性.     

Geometries,stabilities, and electronic properties analysis in In_nNi~((0,±1)) clusters: Molecular modeling and DFT calculations

Density functional theory(DFT) with the B3 LYP method and the SDD basis set is selected to investigate In_nNi,In_nNi~-, and In_nNi~+ (n = 1–14) clusters. For neutral and charged systems, several isomers and different multiplicities are studied with the aim to confirm the most stable structures. The structural evolution of neutral, cationic, and anionic In_nNi clusters, which favors the three-dimensional structures for n = 3–14. The main configurations of the In_nNi isomers are not affected by adding or removing an electron, the order of their stabilities is also nearly not affected. The obtained binding energy exhibits that the Ni-doped In_(13) cluster is the most stable species of all different sized clusters. The calculated fragmentation energy and the second-order energy difference as a function of the cluster size exhibit a pronounced even–odd alternation phenomenon. The electronic properties including energy gap(E_g), adiabatic electron affinity(AEA), vertical electron detachment energy(VDE), adiabatic ionization potential energy(AIP), and vertical ionization potential energy(VIP) are studied. The total magnetic moments show that the different magnetic moments depend on the number of the In atoms for charged In_nNi. Additionally, the natural population analysis of In_nNi~((0,±1)clusters is also discussed.