Crystal-Orientation Dependent Evolution of Edge Dislocations from a Void in Single Crystal Cu

The micro-void growth by dislocation emission under tensile loading is explored with focus on the influence of crystal orientations. Based on the elastic theory, a dislocation emission criterion is formulated. It is predicted that the preferential location of dislocation nucleation and its threshold stress are dependent on the crystal orientation. Large-scale molecular dynamics （MD） simulations are also performed for single crystal copper to illustrate the dislocation evolution pattern associated with a nano-void growth. The results are in line with those given by the theoretical prediction. As revealed by MD simulations, the characteristics of void growth at micro-scale depend greatly on the crystal-orientation.     

铜原子纳米团簇热力学性质的分子动力学模拟研究

本文利用分子动力学模拟方法，研究了CuN（N=80、140、216、312、408、500、628和736）纳米团簇在热化和冷凝过程中结构和热力学性质的变化，模型采用的是Johnson的EAM作用势．模拟结果表明：铜团簇的熔点和凝固。点随其尺寸线性增加，并逐渐向大块晶体靠拢；所有团簇的凝固。羔都低于熔点，出现凝固过程中的滞后现象；在熔点和凝固点附近，团簇都具有负热容特性，负热容是由相变前后团簇内部结构突变引起的。     

微脉冲电子枪的初步实验研究

给出了微脉冲电子枪的模拟计算及其初步实验结果. 该电子枪采用铜铝镁合金作为冷阴极材料, 在以磁控管作为微波功率源的出束实验中得到了100mA/cm²的电流密度.实验结果与次级电子倍增解析计算和SEEG程序的模拟计算结果基本符合, 初步验证了微脉冲电子枪的基本原理, 为今后实验中得到更大的电流密度打下了基础.     

2-(2-喹啉偶氮)-5-二甲氨基苯胺光度法测定铜

在pH=4.0的磷酸盐缓冲介质中,CTMAB存在下,2-(2-喹啉偶氮)-5-二甲氨基苯胺(QADMAA)与铜反应生成2:1稳定络合物,络合物λmax=580nm,ε=1.14×105L·mol-1·cm-1.铜含量在0.01-0.6μg/mL内符合比耳定律,方法用于环境样品中铜的测定,结果令人满意.     

火焰原子吸收光谱法测定生物样品中锌、铜和锰

生物样品经消化处理后,用火焰原子吸收光谱法测定样品中锌、铜和锰的含量,平均加标回收率为97.3%-102.4%,相对标准偏差(RSD)为0.65 %-1.40%.锌、铜和锰在给定范围内呈现良好的线性关系,相关系数分别为0.9994、0.9994和0.9983,方法简便,快速,结果可靠.     

Local density of states around two nonmagnetic impurities in cuprate superconductors

The local density of states (LDOS) around two nonmagnetic impurities which are located at different sites is studied within the two-dimensional t-J-U model. The order parameters are determined in a self-consistent way with the Gutzwiller projected mean-field approximation and the Bogoliubov-de Gennes theory. When the two impurities are located one or two sites away, we find the superconductivity coherence peaks are more strongly suppressed and the zero-energy peak (ZEP) has split into two peaks. Whereas when the two impurities are located next to each other, the ZEP vanished, and LDOS does not change a lot compared with the case away from the impurities.     

Cu掺杂对CdS薄膜结构、光致发光及CdS/CdTe电池性能的影响

采用化学浴沉积(CBD)法在FTO(SnO2∶F)/Glass衬底上制备了Cu掺杂的CdS薄膜.用电感耦合等离子体-原子发射光谱(ICP-AES)测得不同Cu掺杂浓度的薄膜中Cu/Cd原子比分别为0.5％、1.5％、5％.分别用X射线衍射(XRD)、扫描电镜(SEM)、光致发光谱(PL)、紫外-可见-近红外反射透射谱对薄膜样品进行表征.研究了Cu掺杂对CdS薄膜的晶体结构,微观形貌以及体内点缺陷的影响.用Cu掺杂的CdS薄膜作为N型层制备CdTe太阳能电池,研究了CdS层中Cu对电池性能的影响.     

纳米多晶铜中冲击波阵面的分子动力学研究

冲击波阵面反映材料在冲击压缩下的弹塑性变形行为以及屈服强度、应变率条件等宏观量, 还与冲击压缩后的强度变化联系. 本文使用分子动力学方法, 模拟研究了冲击压缩下纳米多晶铜中的动态塑性变形过程, 考察了冲击波阵面和弹塑性机理对晶界存在的依赖, 并与纳米多晶铝的冲击压缩进行了比较. 研究发现: 相比晶界对纳米多晶铝的贡献而言, 纳米多晶铜中晶界对冲击波阵面宽度的影响较小; 并且其塑性变形机理主要以不全位错的发射和传播为主, 很少观察到全位错和形变孪晶的出现. 模拟还发现纳米多晶铜的冲击波阵面宽度随着冲击应力的增加而减小, 并得到了冲击波阵面宽度与冲击应力之间的定量反比关系, 该定量关系与他人纳米多晶铜模拟结果相近, 而与粗晶铜的冲击压缩实验结果相差较大.     

拉曼光谱结合偏最小二乘法测定血清胆固醇含量

以日常体检用血清样品为分析对象,采集了其拉曼光谱,波数范围为250～2 400cm-1,并对信号进行归属,与临床传统生化法测定得到的胆固醇含量对比,结合偏最小二乘法建立了血清胆固醇拉曼光谱定量模型(n=73)。结果表明,拉曼光谱能够表征血清中主要化学基团的信息。所建立的血清胆固醇定量校正模型的相关系数R为0.909 6,交叉验证校正标准差(RMSECV)为0.24;检验集(n=17)预测标准差(RMSEP)为0.69,相关系数r为0.926 2。证明了应用拉曼光谱技术结合偏最小二乘法建立血清胆固醇定量模型,用于未知血清样品胆固醇含量无损快速检测是可行的。     

An optical study of the D-D neutron irradiation-induced defects in Co-and Cu-doped ZnO wafers

Room-temperature photoluminescence and optical transmittance spectroscopy of Co-doped(1×1014,5×1016,and 1×1017cm-2) and Cu-doped(5×1016cm-2) ZnO wafers irradiated by D-D neutrons(fluence of 2.9×1010 cm-2) have been investigated.After irradiation,the Co or Cu metal and oxide clusters in doped ZnO wafers are dissolved,and the wu¨rtzite structure of ZnO substrate for each sample remains unchanged and keeps in high c-axis preferential orientation.The degree of irradiation-induced crystal disorder reflected from the absorption band tail parameter(E0) is far greater for doped ZnO than the undoped one.Under the same doping concentration,the Cu-doped ZnO wafer has much higher irradiation-induced disorder than the Co-doped one.Photoluminescence measurements indicate that the introduction rate of both the zinc vacancy and the zinc interstitial is much higher for the doped ZnO wafer with a high doping level than the undoped one.In addition,both crystal lattice distortion and defect complexes are suggested to be formed in doped ZnO wafers.Consequently,the Co-or Cu-doped ZnO wafer(especially with a high doping level) exhibits very low radiation hardness compared with the undoped one,and the Cu-doped ZnO wafer is much less radiation-hard than the Co-doped one.