G-调和函数增长性及其在二相自由边界问题上的应用

研究了G-调和函数的增长性,给出其在二相空腔与射流问题上关于极小化子增长性的应用.     

带有大初始值和真空的Navier-Stokes-Maxwell系统的整体解

考虑了Navier-Stokes-Maxwell系统的初边值问题,借助经典的能量方法和一些先验估计,获得了系统的整体球对称古典解。在这里允许真空和大初始值存在。     

二维液晶方程弱解的估计

液晶方程是Navier-Stoke方程和调和热流方程耦合得到的流体动力方程,因此研究液晶方程是极其重要的.应用方程弱解存在的结论,在弱解存在的基础上应用一系列泛函知识和Sobolev Spaces知识对弱解进行能量估计.     

HCOOH在电极Pd(110)表面电吸附的密度泛函研究

采用密度泛函理论和周期平板模型相结合方法,对HCOOH分子在Pd(110)表面bridge,bidentate和unidentate三种形态吸附位进行吸附结构、Mulliken布居和振动频率等性质的计算;计算结果表明HCOOH在金属态表面bidentate为最稳定的吸附位,电极表面unidentate为最稳吸附位;HCOOH在电极表面的吸附远大于金属态表面的吸附能,表明电化学反应比普通化学反应容易进行.电极表面吸附的结构和频率分析显示,吸附过程中O—H、C—H键均伸长,v(O—H)键和v(C—H)振动频率均发生明显红移,表明H原子在吸附过程中容易断裂,脱离HCOOH分子.Mulliken电荷布居分析表明在电吸附过程中电子由HCOOH分子向Pd(110)表面进行转移,有利于电催化反应进行.     

The primitive ontology of quantum physics: Guidelines for an assessment of the proposals

The paper seeks to make progress from stating primitive ontology theories of quantum physics—notably Bohmian mechanics, the GRW matter density theory and the GRW flash theory—to assessing these theories. Four criteria are set out: (a) internal coherence; (b) empirical adequacy; (c) relationship to other theories; and (d) explanatory value. The paper argues that the stock objections against these theories do not withstand scrutiny. Its focus then is on their explanatory value: they pursue different strategies to ground the textbook formalism of quantum mechanics, and they develop different explanations of quantum non-locality. In conclusion, it is argued that Bohmian mechanics offers a better prospect for making quantum non-locality intelligible than the GRW matter density theory and the GRW flash theory.     

Studies on induction hardening of powder-metallurgy-processed Fe-Cr/Mo alloys

Induction hardening of dense Fe-Cr/Mo alloys processed via the powder-metallurgy route was studied. The Fe-3Cr-0.5Mo, Fe-1.5Cr-0.2Mo, and Fe-0.85Mo pre-alloyed powders were mixed with 0.4wt%, 0.6wt%, and 0.8wt% C and compacted at 500, 600, and 700 MPa, respectively. The compacts were sintered at 1473 K for 1 h and then cooled at 6 K/min. Ferrite with pearlite was mostly observed in the sintered alloys with 0.4wt% C, whereas a carbide network was also present in the alloys with 0.8wt% C. Graphite at prior particle boundaries led to deterioration of the mechanical properties of alloys with 0.8wt% C, whereas no significant induction hardening was achieved in alloys with 0.4wt% C. Among the investigated samples, alloys with 0.6wt% C exhibited the highest strength and ductility and were found to be suitable for induction hardening. The hardening was carried out at a frequency of 2.0 kHz for 2-3 s. A case depth of 2.5 mm was achieved while maintaining the bulk (interior) hardness of approximately HV 230. A martensitic structure was observed on the outer periphery of the samples. The hardness varied from HV 600 to HV 375 from the sample surface to the interior of the case hardened region. The best combination of properties and hardening depth was achieved in case of the Fe-1.5Cr-0.2Mo alloy with 0.6wt% C.     

金红石TiO2(011)表面的理论研究进展

基于密度泛函理论 (DFT) 的第一性原理 (First-principles) 计算方法，就金红石TiO₂(011)表面在理论方面的研究进展做了介绍.首先，通过阐述研究金红石TiO₂(011)表面的必要性和实验在其结构方面的研究进展，介绍了金红石TiO₂(011)表面的电子结构和光学性质，指出并验证了该表面对可见光有较强的响应能力.随后，介绍了金红石TiO₂(011)表面的缺陷和杂质，指出吸附H原子和形成O缺陷后还能显著增强其在红外区的红外吸收.在此基础上，不仅从理论上提供了一些传统实验所无法提及的数据资料，还弥补了相关实验在微观领域研究中的不足.最后，就目前金红石TiO₂(011)表面研究中存在的问题做了展望，指出金红石TiO₂(011)表面各种表面现象的微观本质是未来研究的重点内容.     

丁酸甲酯高温分解的过渡态理论研究(英文)

选取了丁酸甲酯高温分解的十三个反应路径中较为重要的两个反应:CH3OCO=CH3+CO2(R1)和CH3OCO=CH3O+CO(R2).使用密度泛函理论方法在B3LYP/TZVP基组水平上寻找了反应的过渡态,并且得到了两个反应的势能曲线.R1的势垒高度远远低于R2,同时R1的产物CH3和CO2拥有较低的能量,处于相对稳定的状态.因此,反应CH3OCO=CH3+CO2更容易发生.结论为丁酸甲酯的动力学模型研究提供了一定的理论依据.     

2000-2010年长春市中心城区人口空间演变与扩张机制研究

分别以街道、社区为单位将长春市中心城区第五次、第六次普查数据通过ArcGIS软件导入城镇数据,对长春市中心城区人口分布现状进行分析,并通过MATLAB软件对十年以来长春市中心城区人口密度模型进行拟合分析.结果表明:2000年-2010年间长春市一直处于向南方发展的"圈层式扩张"的城市化,加幂指数模型能较完美拟合长春市人口空间变化.长春人口扩张既有历史、规划的原因,也有产业布局和轨道交通的原因.     

分子非线性光学性质的量子化学研究

非线性光学是研究介质在强光作用下产生的非线性光学现象及其应用.以有机非线性光学材料苯并噻唑衍生物和花青苷衍生物共6个分子为代表,根据密度泛函理论优化其分子结构,从而得到它们稳定的分子构型,通过分析键长键角、共轭链长度、轨道图像、跃迁能振子其强度以及二阶非线性光学系数Btol值等数据,得出Btol正比于跃迁偶极距,反比于跃迁能,所以增加的跃迁偶极距和红移的光谱吸收峰会导致Btol增大.