枪晶石变温拉曼光谱及其固液相微结构研究

枪晶石在传统冶金连铸保护渣中起着十分重要的作用。采用紫外激光光源和电荷耦合器件(CCD)探测器,测定了枪晶石晶体和高温拉曼光谱(温度范围:298~1 723 K),观察了其在变温状态(升温和降温过程)下的特征谱变化。谱图结果显示,枪晶石熔态微结构单元与固态的相比更为多元化,表明熔体状态下多种团簇结构共存。同时,利用枪晶石晶胞结构模型,通过Dmol3密度泛函(DFT)理论计算了其分子振动频率,将其与实验值相结合,确定了特征谱峰的归属,为进一步采用拉曼光谱法原位研究保护渣中枪晶石的结构变化与行为特征提供了重要依据。     

Comparison of shear banding in BMGs due to thermal-softening and free volume creation

This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly, the effects of thermal softening and free volume creation on shear instability are discussed. It is known that thermal softening governs thermal shear banding, hence it is essentially energy related. However, compound free volume creation is the key factor to the other instability, though void-induced softening seems to be the counterpart of thermal softening. So, the driving force for shear instability owing to free volume creation is very different from the thermally assisted one. In particular, long wave perturbations are always unstable owing to compound free volume creation. Therefore, the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also, the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally, the mature shear band width is governed by the corresponding diffusions (thermal or void diffusion) within the band. As a rough guide, the dimensionless numbers: Thermal softening related number B, Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs). Supported by the Chinese Academy of Sciences under the project “Multi-Scale Complex System” (Grant No. KJCX-SW-L08), the National Natural Science Foundation of China (Grant Nos. 10725211 and 10721202), and the Doctorial Start-up Fund of Hunan University of Science and Technology (Grant No. E50840)     

Remote preparation of an entangled two-qubit state with three parties

We present a scheme for probabilistic remote preparation of an entangled two-qubit state with three parties from a sender to either of two receivers. The quantum channel is composed of a partially entangled two-qubit state and a partially entangled three-qubit state. We calculate the successful total probabilities of the scheme in general and particular cases, respectively. We also calculate total classical communication cost in a general case and two particular cases, respectively.     

A novel carbon source coated on C-LiFePO<Subscript>4</Subscript> as a cathode material for lithium-ion batteries

The poor electronic conductivity and low lithium-ion diffusion are the two major obstacles to the largely commercial application of LiFePO₄ cathode material in power batteries. In order to improve the defects of LiFePO₄, a novel carbon source polyacrylonitrile (PAN), which would form the hierarchical porous structure after carbonization, is fabricated and used. This work comes up with a simple and facile carbothermal reduction method to prepare porous-carbon-coated LiFePO₄ (C-LiFePO₄-PC) composite and to study the effect of carbon-coated temperature on ameliorating the electrochemical performance. The obtained C-LiFePO₄-PC composite shows a high initial discharge capacity of 164.1 mA h g^?1 at 0.1 C and good cycling stability as well as excellent rate capacity (49.0 mA h g^?1 at 50 C). The most possible factors that improve the electrochemical performance could be related to the enhancement of electronic conductivity and the existence of porous carbon layers. In a word, the C-LiFePO₄-PC material would become an excellent candidate for application in the fields of lithium-ion batteries.     

非均匀介质对强激光传播的影响

以强激光应用在化学工程中所遇到的物理问题为背景，研究介质的热透镜效应、吸收强弱、吸收饱和程度以及介质的流动等因素对激光传播的影响。根据一组简化模型，提出了描述光场行为的方程组，给出了不同情况下介质的温度分布情况、光线在介质中的变化行为以及激光光强的分布化情况。所得结果，对光化学工程设计有一定的参考价值。     

存在固有线双折射光纤费尔德常数的测量

从理论上分析、计算了扭转光纤对小信号电流灵敏的影响，提出了一种新的更为简便的方法测量费尔德常数、并用实验验证。结果表明当光纤扭转率与固有线双折射的比值大于一定数值时，用本方法测量得到的费尔德常数值与理论值十分接近。这一方法为测量具有线双折射光纤的费尔德常数提供了一种新的途径。     

非局域密度泛函理论表征活性炭孔径分布的改进算法

为提高由NLDFT计算值确定活性炭孔径分布(PSD)的精度,根据测得的77K氮在非石墨化碳黑BP460和椰壳活性炭K05上的吸附数据,比较了吸附空间及壁面结构采取不同假设对计算结果的影响。结果表明,常规将活性炭吸附空间近似为无限尺寸的石墨化碳黑表面构成的狭缝孔,并由Lorenz-Berthelot混合法则确定相互作用参数,计算值在较低压力区域和试验值之间的偏差明显;而将吸附壁面结构近似为非石墨化碳黑,并由表面粗糙度和石墨晶格分布的误差函数修正相互作用参数后,计算结果和试验值吻合良好。分析结果时发现,归一化方法和考虑周边吸附质分子作用的加权函数是影响NLDFT计算结果准确性的关键因素。     

Nd0.67Sr0.33MnOy(Y＜3.0)中的自旋相关电致电阻效应

用固相反应法制备系列Nd0.67Sr0.33MnOy(y=3.00-2.80)多晶样品.样品输运性质表现出自旋相关电致电阻特征.对氧含量等于化学计量样品,在测量温度范围内电阻不随负载电流变化,I-V曲线符合线性欧姆定律.对氧含量低于化学计量样品,当高于某一特征温度时,电阻变化符合线性欧姆定律;但低于这一特征温度时,电阻大小与负载电流有关,I-V曲线偏离线性规律;在绝缘体-导体相转变点附近,样品电阻随负载电流增大而迅速减小,表现出巨大电致电阻效应.对于y=2.85样品,当电流从1μA增加到30μA时,电致电阻接近80%.这种自旋相关的电致电阻行为与氧含量和界面有很大关系.     

脉冲管制冷机调相机构的研究 第一部分 双向进气模式的研究

基于线性热声理论,通过数值计算定量分析了双向进气对脉冲管制冷机性能的影响,指出:在惯性管已经为脉冲管制冷机提供了所需的最佳阻抗时,双向进气不能提高脉冲管制冷机的性能,只有在惯性管没有为制冷机提供作需的最佳阻抗时,双向进气模式才能发挥积极的作用。