Mafia和Hfss对等梯度加速结构耦合器的数值模拟与比较

提出的数值模拟过程是关于直线加速器加速结构耦合器的设计的。Mafia程序和Hfss程序分别被用来模拟一截S—Band的三腔等梯度加速结构,其两端分别为输入耦合器和输出耦合器。通过Mafia程序和Hfss程序模拟了该结构的传输特性,发现两者的模拟结果能很好吻合。     

1-(6-硝基-2-苯并噻唑)-3-(4-硝基苯)-三氮烯与镍显色反应的研究及应用

在TritonX-100表面活性剂存在下,研究了1-(6-硝基-2-苯并噻唑)-3-(4-硝基苯)-三氮烯(NBTNPT)与镍的显色反应.在pH为10.0～11.5的Na2B4O7-NaOH缓冲溶液中,该试剂与镍生成2∶1配合物.以500nm为参比波长,440nm为测定波长的双峰双波长进行测定,表观摩尔吸光系数为1.84×105L·mol-1·cm-1.Ni2+的浓度在0～280μg/L内符合比耳定律.用拟定方法测定钢铁中的微量镍,结果满意.     

污泥对地下水质影响的模拟研究

施用工业污泥和生活污泥作肥料，会影响棕壤和褐土两种不同土壤地下的水质．用土柱来模拟实际土壤，对土柱进行淋洗．通过测定土柱淋洗液，分析了两种污泥在棕壤和褐土上的淋洗特性及对地下水质的影响．测定项目主要包括：EC、pH、DOC、重金属元素(Zn、Cu、Pb、Cd)．实验结果表明，褐土比棕壤更适合施用污泥．     

三相交-交变频电源的仿真设计

三相交-交变频电源在低频拖动控制中有广泛的应用．利用MATLAB软件中的Simlink仿真工具来实现三相交-交变频电源的仿真设计和分析，能做到省时、省成本、易于操作，在静止式变频电源设计中有很好的使用价值．本文采用MATLAB仿真工具完成了一个全数字控制的三相交-交变频电源的设计．     

含滞回环节机电控制系统的数值仿真

在机电控制系统中引入基于Preisach模型的滞回环节数值仿真方法,采用一维存储和非均匀网格剖分提高数值求解的效率,采用模型离散化解决非线性造成的收敛速度慢的问题.根据提出的数值仿真方法,对电磁悬浮刚性转盘的起浮和振动控制进行仿真.仿真结果表明,在考虑磁滞影响后,仿真仍能够成功进行,为更有效地设计转子磁悬浮系统提供了新的途径.     

纳米TiO2光催化剂在酸性黑水溶液中的吸附机制

目的研究纳米TiO2光催化剂在酸性黑NB水溶液中的吸附机制。方法以偏钛酸为钛源,均匀沉淀法制备纳米TiO2光催化剂,用TEM,XRD对所得纳米TiO2光催化剂的结构进行了表征。以获得的纳米TiO2光催化剂为吸附剂,对纳米TiO2在酸性黑NB水溶液中的吸附机制进行了实验研究。结果TiO2-NB水溶液固-液两相吸附符合Langmiur等温吸附式,测定了模型参数。确定的模型参数最大吸附量xmax为10.78 mg,吸附平衡常数q为0.257 L/mg。结论溶液的pH值对纳米TiO2-NB水溶液的吸附影响明显,pH越小表面吸附越强;IR进一步地分析了纳米TiO2-NB水溶液的吸附过程。吸附机制分析表明,NB分子在表面上的吸附是由于TiO2表面极性特性引发的表面羟基化。     

Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO_4

Based on density functional theory (DFT) of the first-principle for the cathode materials of lithium ion battery, the electronic structures of Li(Fe1-xMex)PO4 (Me = Ag/Mn, x = 0―0.40) are calculated by plane wave pseudo-potential method using Cambridge serial total energy package (CASTEP) program. The calculated results show that the Fermi level of mixed atoms Fe1-xAgx moves into its conduction bands (CBs) due to the Ag doping. The Li(Fe1-xAgx)PO4 system displays the periodic direct semiconductor characteristic with the increase of Ag-doped concentration. However, for Fe1-xMnx mixed atoms, the Fermi level is pined at the bottom of conduction bands (CBs), which is ascribed to the interaction be-tween Mn(3d) electrons and Fe(4s) electrons. The intensity of the partial density of states (PDOS) near the bottom of CBs becomes stronger with the increase of Mn-doped concentration. The Fermi energy of the Li(Fe1-xMnx)PO4 reaches maximum at x = 0.25, which is consistent with the experimental value of x = 0.20. The whole conduction property of Mn-doped LiFePO4 is superior to that of Ag-doped LiFePO4 cathode material, but the structural stability is reverse.     

基于HLA火灾联合救援行动视景仿真系统的设计与实现

依据HLA的基本概念、方法和原理,建立了一个火灾联合救援行动视景仿真系统,以解决城市中的突发性灾难事件,如火灾和交通事故等.在HLA的体系框架下,给出了联邦成员的分类及实现,FOM/SOM的设计和视景仿真系统的编程实现.该视景仿真系统能够向智能救援指挥中心(IRCC)提供对突发火灾事件的直接救援可选方案,并向每一个救援单位提供最好的救援计划.     

Theoretical study on the lithium bond interaction of furan homologues C_4H_4Y (Y=O, S) with LiCH_3 via DFT and MP2

The optimizations geometries and interaction energy corrected by BSSE of the complexes between C4H4Y (Y=O, S) and CH3Li have been calculated at the B3LYP/6-311 G** and MP2/6-311 G** levels. Three complexes were obtained. Abnormally, the calculations showed that all the C10—Li14 bond lengths increased obviously but the blue-shift of C10—Li14 stretching frequency occurred after formed complexes. The calculated binding energy with basis set super-position error (BSSE) and zero-point vibrational energy corrections of complexes I―III is ?45.757, ?35.700 and ?39.107 kJ·mol?1, respectively. The analyses on the combining interaction with the atom-in-molecules theory (AIM) also showed that a relatively strong lithium bond interaction presented in furan homologues C4H4Y---LiCH3 systems. Natural bond orbital theory (NBO) analysis has been performed, and the results revealed that the com- plex I is formed with n-σ type lithium bond interaction between C4H4O and LiCH3, complex II is formed with π-s type lithium bond interaction between C4H4O and LiCH3, and complex III is formed with π-s and n-s type lithium bond interactions between C4H4S and LiCH3, respectively.     

屈服准则对差厚铝合金拼焊板拉深成形数值模拟的影响

分别采用Mises、Hill二次和Barlat三参数屈服准则对差厚铝合金拼焊板拉深成形方盒件进行有限元模拟,比较了不同屈服准则和不同压边力下零件的成形特点和应变分布,焊缝的移动规律和焊缝附近金属变形情况。结果表明不同屈服准则对成形趋势预测一致,法兰面上焊缝向拼焊板的薄侧流动,而在型腔部位焊缝向厚侧移动;不同压边力对差厚板的成形质量影响较大,对焊缝移动影响较小。不同准则预测结果仍有明显差异,Mises准则下对成形性能预测最危险,而焊缝附近薄侧板料的减薄率Mises准则模拟结果最为理想。