High Solubility of Hetero-Valence Ion （Cu^2＋） for Reducing Phase Transition and Thermal Expansion of ZrV1.6P0.4O7

Large thermal expansion at room temperature and high phase transition temperature of ZrV2O7 limit its practical applications and are reduced by the high solubility of hetero-valence ion （Cu^2＋） on the basis of an equal-valence substitution of P^5＋ for V^5＋. The temperature-dependent Raman spectra show that Zr0.9CU0.1V1.6P0.4O6.9 maintains a normal parent cubic structure till 173 K and transforms to a 3 × 3 × 3 cubic superstructure below 173K. Temperature dependent x-ray diffraction patterns of Zr0.9CU0.1V1.6P0.4O6.9 show near zero and negative thermal expansion. High solubility of lower valence Cu^2＋ relates to an equal-valence substitution of smaller pH for P^5＋, which extends the bond angle of V（P）-O-V in ZrV1.6P0.4O7 close to 180°. The change of microstructure is considered to be responsible for reduced phase transition temperature and thermal expansion.     

凝聚态硝基甲烷分解机理的密度泛函研究

用密度泛函理论在B3LYP/6-311++G(2d,2P)计算水平上对最低单态和最低三态的硝基甲烷分子进行了分子动力学计算分析,发现:基态硝基甲烷分子沿C-N键分解生成硝基和甲基反应通道上不存在过渡态,只能是在能量足够高的时候造成C-N键的断裂,键离解能为53.4kcal/mol;硝基甲烷分子在最低三态沿C-N键分解生成硝基和甲基的反应通道上,有一个活化能为87.8kcal/mol的能垒.计算得到硝基甲烷分子从基态到最低三态分解反应发生所需要的总能量为144.58kcal/mol.这个数值与硝基甲烷材料的电子碰撞实验在193nm处有强吸收峰的结论相符合.依据多声子迁移理论,结合硝基甲烷分子在最低三态动力学分解的可能性,可以认为在相同条件下,硝基甲烷材料在撞击条件下,分子沿CN键分裂生成硝基和甲基的反应在最低三态分子分解的可能性较大.文章用量化计算从分子构型、频率分析和势能面扫描方面对分析结论进行了加强和确定,并且,依据多声子迁移理论对硝基甲烷分子基态键离解过程、基态到三态激发过程和最低三态活化过程中的声子迁移进行了初步分析.     

周期信号调制色泵噪音驱动下单模激光光强关联函数的时间演化特性

采用周期信号调制色泵噪音驱动的单模激光模型,运用线性化近似方法研究了单模激光系统光强关联函数C(t)随时间的演化关系,分析了调制信号的振幅B、频率Ω等对光强关联函数随时间演化的影响. 发现在泵噪音自关联时间τ>>1的情形下,随着调制信号频率Ω、振幅B的增加,C(t)随时间的演化为单调衰减;在τ>>1的情形下,随着调制信号频率Ω、振幅B的增加,C(t)随时间的演化均为周期性振荡衰减.     

亚临界CO2冷库制冷系统性能实验研究

为研究亚临界CO₂冷库制冷系统性能,建立制冷系统压缩机数学模型,分析压缩机吸气温度对输气量、容积效率等性能参数的影响。搭建亚临界CO₂冷库制冷系统试验台,分析储液器出口气、液质量比对系统性能的影响。结果表明,当吸气压力恒定时,吸气温度升高,压缩机实际输气量及容积效率均有小幅度提升。随着储液器出口气、液质量比增大,系统制冷量及压缩机功耗均升高,而系统COP呈先增大后减小的趋势。在气、液质量比为0.16时,COP达到最大值为1.95。     

Epitaxial Bi2Sr2CuOy thin films as p-type transparent conductors

Development of p-type transparent conducting thin films is tireless due to the trade-off issue between optical transparency and conductivity. The rarely concerned low normal state resistance makes Bi-based superconducting cuprates the potential hole-type transparent conductors, which have been realized in Bi₂Sr₂CaCu₂O_y thin films. In this study, epitaxial superconducting Bi₂Sr₂CuO_y and Bi₂Sr_1.8Nd_0.2CuO_y thin films with superior normal state conductivity are proposed as p-type transparent conductors. It is found that the Bi₂Sr_1.8Nd_0.2CuO_y thin film with thickness 15 nm shows an average visible transmittance of 65% and room-temperature sheet resistance of 650 Ω/sq. The results further demonstrate that Bi-based cuprate superconductors can be regarded as potential p-type transparent conductors for future optoelectronic applications.     

Lattice Boltzmann方法应用实例--一维溃坝波模拟

通过分析Ｌａｔｔｉｃｅ Ｂｏｌｔｚｍａｎｎ（ＬＢ）方法的多尺度方程和一维浅水波方程,建立了计算一有渠非恒定流的ＬＢ模型,对一维溃坝波动这一典型应用实例进行了模拟分析,结果与Ｐｒｅｉｓｓｍａｎｎ隐格式及解析解十分一致,说明将ＬＢ方法引入实际的一维明渠非恒定流计算是可行的。     

Co:BaTiO3纳米复合薄膜的制备及其结构

用脉冲激光沉积技术(PLD)在MgO(100)基底上生长了嵌埋Co纳米晶的BaTiO3复合薄膜. 分别利用x射线衍射(XRD)、原子力显微镜(AFM)以及拉曼光谱(Raman)对薄膜的微观结构、表面 形貌进行了表征. 结果表明该薄膜为c轴取向的四方晶体结构，薄膜表面均匀、致密、 具有原子尺度的光滑性，其均方根表面粗糙度(RMS)达到015nmCo以纳米晶形式嵌埋BaTi O3基体中，呈单分散性均匀分布，其粒径随激光脉冲数的增加而增大. Co：BaTiO3纳米 复合薄膜拉曼峰的强度随钴纳米晶粒径的增加明显减弱，但是峰的宽度逐渐增加. 关键词： Co：BaTiO3 纳米复合薄膜 脉冲激光沉积     

Pico-second photoelectric characteristic in manganite oxide La0.67Ca0.33MnO3 films

Ultrafast photoelectric characteristic has been observed in La_0.67Ca_0.33MnO₃ films on tilted SrTiO₃ substrates. A pico-second (ps) open-circuit photovoltage of the perovskite manganese oxide films has been obtained when the films were irradiated by a 1.064μm laser pulse of 25 ps duration. The rise time and full width at half-maximum of the photovoltage pulse are ～300 ps and ～700 ps, respectively. The photovoltaic sensitivity was as large as ～500 mV/mJ.     

1 MeV电子辐照对短波Hg1-xCdxTe光伏探测器的影响

 研究了1 MeV电子辐照对短波Hg_1-xCd_xTe光伏探测器的影响。通过测试电子辐照前后光伏探测器的响应光谱、信号、噪声、暗电流等性能参数，分析了电子辐照对Hg_xCdxTe光伏器件的影响机制。实验结果发现：电子辐照后器件响应光谱在短波处有变窄的趋势，但响应峰值波长和截止波长基本无变化；随着辐照剂量的增加，通过p-n结的暗电流有所增加，光伏器件的探测率有减小的趋势。     

傅里叶变换滤波-差分吸收光谱法在烟气SO_2在线监测中的应用研究

差分吸收光谱(DOAS)法是利用气体分子窄带吸收特征来测量气体浓度的一种新型的光谱测量技术。本文分析了紫外差分吸收光谱(DOAS)法检测SO2数值处理上的问题,提出傅里叶变换滤波分析方法。本方法可有效减少各种干扰对SO2浓度计算的影响,特别是对与SO2有重叠差分吸收光谱但有不同频谱特性且未知气体的干扰有很好的效果。