掺杂金微粒Na2O—B2O3—SiO2系统玻璃的溶胶—凝胶方法制备及其光学…

采用正硅酸乙酯，硼酸，乙醇钠为先驱体，乙醇，乙二醇甲醚和乙醇为先驱体溶剂，并采用氯化金的水溶液为掺杂金微粒的先驱体，通过热处理使氯化金分解出金原子而使其长出金微粒，达到制备掺杂金微粒玻璃的目的，在钠硼硅系统干胶的制备过程中，详细地研究了氯化钠的引入量等对大块干胶性质的影响，并确定了引入氯化金的适宜浓度，详细研究了干胶向玻璃转变的制备工艺，并成功地制备了掺杂金微粒的大块玻璃，采用Ｘ－射线衍射仪进行掺     

掺杂金微粒Na_2O-B_2O_3-SiO_2系统玻璃的溶胶-凝胶方法制备及其光学性质的表征

采用正硅酸乙酯，硼酸，乙醇钠为先驱体，乙醇，乙二醇甲醚和乙醇为先驱体溶剂，并采用氯化金的水溶液为掺杂金微粒的先驱体，通过热处理使氯化金分解出金原子而使其长出金微粒，达到制备掺杂金微粒玻璃的目的。在钠硼硅系统干胶的制备过程中，详细地研究了氯化金的引入量等对大块干胶性质的影响，并确定了引入氯化金的适宜浓度。详细研究了干胶向玻璃转变的制备工艺，并成功地制备了掺杂金微粒的大块玻璃。采用X-射线衍射仪进行掺杂金微粒干胶和玻璃的桥晶与否分析，用紫外-可见吸收光谱研究了它们的光学性质。用透射电镜表征了金微粒在玻璃基质中的颗粒大小及分布，采用Z－Scan装置表征了此种玻璃的三阶非线性光学性质，得到折射率n2＝8．22×10－12esu。     

Tb3+掺杂PbF2基氟氧微晶玻璃的发光性能

采用高温熔融法和热处理工艺制备出一种Tb3+掺杂的PbF2基玻璃和微晶玻璃。经XRD分析发现,微晶玻璃内析出了PbF2颗粒,微晶团聚体平均尺寸约为15～75μm。在378 nm紫外光和X射线激发下,掺Tb3+的微晶玻璃与未经热处理的玻璃样品比较,微晶玻璃的发光强度增加了数倍,因而提出PbF2微晶的析出是微晶玻璃发光增强的主要原因。     

电场热处理条件下TiO2薄膜的晶化行为研究

利用溶胶-凝胶法和电场热处理工艺在玻璃表面制备出一层TiO2薄膜,采用DTA,Raman光谱,XRD和AFM等测试手段分析了TiO2薄膜在电场热处理过程中的晶化行为.然后在理论上分析了外电场对TiO2薄膜热处理过程的影响,提出了通过引入外电场促进TiO2薄膜从无定形到锐钛矿的相转变的方法.通过甲基橙水溶液的光催化降解实验表明:在520℃电场热处理条件下的TiO2薄膜的光催化效率高于未引入电场热处理的TiO2薄膜.     

Ag纳米晶和辅助电场的引入对TeO_2-ZnO-Bi_2O_3玻璃发光性能的影响

采用熔融退火法制备得到Er~(3+)/Yb~(3+)共掺的Te O_2-Zn O-Bi_2O_3玻璃。通过热处理微晶化析出Zn_2Te_3O_8等微晶和引入Ag纳米晶这两种方式,玻璃的发光性能均有所提升。然而,对含Ag纳米晶玻璃进一步热处理后,玻璃的发光性能下降。针对银纳米晶的引入易导致热处理过程中玻璃基体过度析晶的问题,进一步采用电场辅助热处理方法来控制Ag纳米晶与微晶的析出。对含Ag纳米晶玻璃进行电场辅助热处理后,Ag纳米晶析出量增多且微晶没有过度生长,玻璃的发光性能得到进一步提升。     

钕离子掺杂和钕铝共掺高硅氧玻璃的光谱性质研究

基于多孔玻璃烧结的方法制备了钕离子掺杂和钕铝共掺高硅氧玻璃，测量了掺钕高硅氧玻璃的吸收光谱、荧光光谱和荧光寿命. 利用Judd-Ofelt理论计算得到了钕离子在高硅氧玻璃中的强度参数，计算并对比了掺钕高硅氧玻璃和钕铝共掺高硅氧玻璃的理论荧光寿命、受激发射截面和发光量子效率.讨论了钕铝共掺高硅氧玻璃中铝离子的掺入对玻璃发光性质的影响. 通过与其他掺钕氧化物玻璃和一些商用硅酸盐玻璃的主要光谱性质的比较，掺钕高硅氧玻璃显示了较好的光谱性质，有可能成为一种应用于高能和高频激光领域的新型激光材料. 关键词： 掺钕高硅氧玻璃 钕铝共掺 光谱性质 Judd-Ofelt理论     

电场热处理条件下TiO2薄膜的晶化行为研究

利用溶胶-凝胶法和电场热处理工艺在玻璃表面制备出一层TiO₂薄膜，采用DTA ，Raman光 谱，XRD和AFM等测试手段分析了TiO₂薄膜在电场热处理过程中的晶化行为.然后 在理论上 分析了外电场对TiO₂薄膜热处理过程的影响，提出了通过引入外电场促进TiO2薄膜从无 定形到锐钛矿的相转变的方法.通过甲基橙水溶液的光催化降解实验表明：在520℃电场热处 理条件下的TiO₂薄膜的光催化效率高于未引入电场热处理的TiO₂薄 膜. 关键词： 薄膜 晶化 电场 2')" href="#">TiO₂     

飞秒激光作用下金掺杂硅酸盐玻璃的光致晶化研究

研究了金掺杂硅酸盐玻璃在飞秒激光辐照和热处理作用下的光致晶化行为，分析探讨了其机理和激光辐照条件的影响.吸收光谱测试表明玻璃内部析出金纳米颗粒. 金纳米颗粒掺杂玻璃在近共振纳秒脉冲作用下显示了强的光限幅效应, 且改变飞秒激光诱导参数可改变该复合玻璃的光学非线性. 关键词： 光致晶化 飞秒激光 金纳米颗粒 硅酸盐玻璃 光限幅     

微晶结构对氟氧化物玻璃陶瓷发光特性的影响

制备了成分相同的Er3+/Yb3+共掺氟氧化物玻璃和氟氧化物玻璃陶瓷样品，x射线衍射谱和荧光光谱表明热处理后玻璃陶瓷中形成了纳米结构的微晶，根据Judd Ofelt理论计算和差热曲线分析，证实稀土离子掺入PbF2微晶中.分别计算了热处理前后微晶态部分在玻璃体中所占的比例. 关键词： 微晶结构 玻璃陶瓷 荧光光谱     

掺镱硅酸盐激光玻璃的制备与光谱特性分析

采用高温熔融工艺制备了两块组分差别不大的掺镱(Yb3+)硅酸盐激光玻璃.测试出两块玻璃样品的吸收光谱和荧光光谱;计算了Yb3+掺杂玻璃的积分吸收截面、受激发射截面、荧光线宽、能级寿命、最小粒子数、饱和泵浦强度、最小泵浦强度等参数,比较发现样品的吸收截面图与倒易法计算所得的受激发射截面图线型相似,而与F-L法计算所得的受激发射截面图筹别较大,这与理论分析相吻合.两块玻璃样品的吸收光谱的线型基本一致,吸收主峰位于975 nm,次峰位于908 nm,这就说明影响激光玻璃吸收光谱线型的主要因素足玻璃基质的组成.两块玻璃样晶的荧光光谱差别比较大,样品1主峰位于993 nm,次峰位于1 029 nm;样品2主峰位于1 035 nm,次峰位于994nm,差别原因主要在于Yb3+离子的掺杂浓度不同.     

An experimental and theoretical investigation on the nucleation mechanism of copper-containing glass in an electric field

The phase separation process of a copper-containing glass system is studied via heat-treatment with an applied electric field. The experimental results are consistent with the conclusions obtained from a new thermodynamics model that is based on static electromagnetics theory and thermodynamics theory in order to describe the nucleation process of glass doped with metal. As a key factor in the model, the electric energy change is calculated by two methods in this study. One is based on some approximate treatment, and the other the finite element method. The results of the two methods are similar and can explain the experimental results fairly well. PACS  61.43.Fs; 64.70.Kb; 82.60.Nh     

基于Gay-Berne势能模型的粗粒化动力学模拟研究正丁醇的玻璃态相变

通过基于Gay-Berne势能模型的粗粒化动力学模拟,研究液态正丁醇体系的冷却过程. 采用密度泛函计算,拟合出适合正丁醇体系的GB势能参数. 体系的密度、平均势能等性质随温度的降低(由290 K降至50 K,间隔为10 K)发生特殊变化,即体系发生玻璃态相变,相变温度为T_g=120±10 K,与实验值110±1 K符合很好.     

Theoretical model for thin ferroelectric films and the multilayer structures based on them

A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.     

The model of the hysteresis for materials in which depending on composition the transition from relaxor to ferroelectric properties take place

We study the question about the continuous transition from relaxor to normal ferroelectric state, depending on the composition and the influence of external electric field. In this paper we present the main assumptions of the model of dielectric hysteresis for such materials. The model is based on the elements of classical thermodynamic theory, mainly on the assumption that the density of free energy g can be developed into terms with respect to polarization. However unlike LGD theory we assume that all parameters of development are dependent on the temperature. The average spontaneus polarization is obtained as a result of integrating dipole moments which probabilities are different.     

Idealized glass transitions under pressure: dynamics versus thermodynamics

The interplay of slow dynamics and thermodynamic features of dense liquids is studied by examining how the glass transition changes depending on the presence or absence of Lennard-Jones-like attractions. Quite different thermodynamic behavior leaves the dynamics unchanged, with important consequences for high-pressure experiments on glassy liquids. Numerical results are obtained within mode-coupling theory (MCT), but the qualitative features are argued to hold more generally. A simple square-well model can be used to explain generic features found in experiment.     

高山红景天中C24H30O8成分结构和性质的密度泛函研究

高山红景天系景天科红景天属草本植物,因其较好的疗效在医学上广泛应用.C24H30O8是一种从高山红景天中提取并已确认其结构的新的化合物.采用密度泛函理论(DFT)方法,在B3LYP/6-31G*水平下全优化得到了该化合物的分子几何构型和电子结构;依据Onsager自恰反应场(SCRF)模型考察了其在氯仿、丙酮、二甲亚砜及水等溶剂中的溶剂化作用;基于气相优化结构进行了B3LYP/6-31G*振动分析,用0.9613校正后的主要红外光谱与实验符合得很好.进一步按照统计力学原理求得了298~1000 K温度范围内该化合物的标准热力学函数(焓,熵,热容).     

Modeling abnormal strain states in ferroelastic systems: the role of point defects

Recent experiments have revealed a rich variety of strain states in doped ferroelastic systems. We study the origin of two abnormal strain states; precursory tweed and strain glass, and their relationship with the well-known austenite and martensite (the para- and ferroelastic states). A Landau free energy model is proposed, which assumes that point defects alter the global thermodynamic stability of martensite and create local lattice distortions that interact with the strain order parameters and break the symmetry of the Landau potential. Phase field simulations based on the model have predicted all the important signatures of a strain glass found in experiment. Moreover, the generic "phase diagram" constructed from the simulation results shows clearly the relationships among all the strain states, which agrees well with experimental measurements.     

Structure-property relations and thermodynamic properties of monoclinic petalite, LiAlSi(4)O(10)

Structure-property relations of monoclinic petalite, LiAlSi(4)O(10), were determined by experiment and atomistic modeling based on density functional theory. The elastic stiffness coefficients were measured between room temperature and 570?K using a combination of the plate-resonance technique and resonant ultrasound spectroscopy. The thermal expansion was studied between 100 and 740?K by means of dilatometry. The heat capacity between 2 and 398?K has been obtained by microcalorimetry using a quasi-adiabatic calorimeter. The experimentally determined elastic stiffness coefficients were employed to benchmark the results of density functional theory based model calculations. The values in the two data sets agreed to within a few GPa and the anisotropy was very well reproduced. The atomistic model was then employed to predict electric field gradients, the lattice dynamics and thermodynamic properties. The theoretical charge density was analyzed to investigate the bonding between atoms.     

Effect of an electric field on the electrocaloric response of ferroelectrics

The electrocaloric effect of the model ferroelectric BaTiO_3 was investigated using phenomenological theory. The results indicate that the applied electric field strength is a key factor for the induced electrocaloric response and there are two distinguishing electrocaloric responses. When a moderate electric field is applied, the electrocaloric temperature variation is small but the electrocaloric strength is high. In contrast, the electrocaloric temperature variation is large but electrocaloric strength is low when a very high electric field is applied. These results are consistent with the experimental observations on BaTiO_3 based bulk and thin film ferroelectric materials.