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Molecular dynamics simulation of an erbium-activated titania–silica glass: Composition influence on the structural properties 铒活化二氧化钛玻璃的分子动力学模拟:组分对结构性能的影响
Pub Date : 2002-04-01 DOI: 10.1080/13642810208224359
C. Bernard, S. Chaussedent, A. Monteil, M. Ferrari
Abstract We have performed molecular dynamics simulations of a TiO2–SiO2: Er3+ system for various compositions. Different distribution functions have been analysed to determine whether titanium ions are homogeneously distributed. A similar analysis has been carried out to characterize the erbium clustering ability. In particular, because of the simulation technique, the microscopic structure around erbium ions has been investigated. We discuss the role of both erbium and titanium concentrations in the structural properties of the simulated samples. For this purpose, the titanium distribution has been studied for [Ti]/[Si + Ti] concentrations ranging from 7.8 to 50% in undoped samples, and the erbium clustering trend has been characterized from three doped samples in which both erbium and titanium concentrations vary. A calculation of the crystal-field strength for the different kinds of erbium site has been interpreted in the light of the associated local structures.
摘要:本文对不同组成的TiO2-SiO2: Er3+体系进行了分子动力学模拟。分析了不同的分布函数,以确定钛离子是否均匀分布。对铒的聚类能力进行了类似的分析。特别是利用模拟技术,研究了铒离子周围的微观结构。我们讨论了铒和钛浓度对模拟样品结构性能的影响。为此,研究了未掺杂样品中[Ti]/[Si + Ti]浓度在7.8 ~ 50%范围内的钛的分布,并从三个掺铒和钛浓度变化的样品中表征了铒的聚类趋势。根据相关的局部结构,计算了不同种类铒位点的晶体场强度。
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引用次数: 5
Optical spectroscopy of tris(8-hydroxyquinoline) aluminium thin films 三(8-羟基喹啉)铝薄膜的光谱学
Pub Date : 2002-04-01 DOI: 10.1080/13642810208224358
G. Baldacchini, S. Gagliardi, R. Montereali, A. Pace, R. B. Pode
Abstract Amorphous tris(8-hydroxyquinoline) aluminium (Alq3) thin films were deposited on fused silica substrates by thermal evaporation. Optical absorption, emission and excitation spectra were measured at room temperature and, for the first time, at 80 K, on an Alq3 film in a spectral range extending from the near ultraviolet to the visible. Spectroscopic features were carefully investigated as a function of temperature.
摘要采用热蒸发法在熔融石英衬底上沉积了非晶三(8-羟基喹啉)铝(Alq3)薄膜。在室温和80k下首次测量了Alq3薄膜的光吸收、发射和激发光谱,光谱范围从近紫外延伸到可见光。光谱特征作为温度的函数被仔细地研究了。
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引用次数: 19
Coexistence of superconductivity and ferromagnetism in the graphite–sulphur system 石墨-硫体系中超导性与铁磁性的共存
Pub Date : 2002-03-29 DOI: 10.1080/13642810208218367
S. Moehlecke, P. Ho, M. Maple
Abstract Superconducting characteristics such as the Meissner–Ochsenfeld state, screening supercurrents and hysteresis loops of type II superconductors were observed from the temperature and magnetic field dependences of the magnetic moment m(T,H) in graphite powders reacted with sulphur for temperatures below 9.0K. The temperature dependence of the lower critical field H cl (T) was determined and the zero-temperature penetration depth λ(0) was estimated (λ(0) = 2270 Å). The superconductivity was observed to be highly anisotropic and to coexist with a ferromagnetic state that has a Curie temperature well above room temperature. A continuous transition from the superconducting state to the ferromagnetic state could be achieved by simply increasing the applied magnetic field.
在低于9.0K的温度下,通过与硫反应的石墨粉磁矩m(T,H)与温度和磁场的关系,观察了II型超导体的Meissner-Ochsenfeld态、筛选超电流和磁滞回线等超导特性。确定了下临界场H cl (T)的温度依赖性,并估计了零温度穿透深度λ(0) (λ(0) = 2270 Å)。观察到超导性具有高度的各向异性,并与居里温度远高于室温的铁磁态共存。从超导态到铁磁态的连续转变可以通过简单地增加外加磁场来实现。
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引用次数: 16
New general susceptibility response function: Comparison with dielectric relaxation data of a glass former in confinement 新的一般磁化率响应函数:与约束条件下玻璃成原的介电弛豫数据的比较
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223140
C. Svanberg, R. Bergman
Abstract A general function for the susceptibility response of disordered systems was recently proposed. It is here shown to be suitable for describing the response of geometrically confined systems. We investigate its ability to describe experimental permittivity data from dielectric spectroscopy and compare its performance with other commonly used curve-fit functions. As a model system we choose to study a propylene carbonate-poly(methyl methacrylate) gel. The physical interpretations of the obtained curve-fit parameters are briefly discussed.
摘要最近提出了一个用于无序系统敏感性响应的一般函数。这里证明了它适用于描述几何受限系统的响应。我们研究了它描述介电光谱实验介电常数数据的能力,并将其性能与其他常用的曲线拟合函数进行了比较。我们选择碳酸丙烯酯-聚甲基丙烯酸甲酯凝胶作为模型体系进行研究。简要讨论了所得曲线拟合参数的物理解释。
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引用次数: 0
Decoupling from structural relaxation of short- and longtime dynamics of a paramagnetic tracer dissolved in a liquid-crystal polymer 顺磁示踪剂溶解在液晶聚合物中的短期和长期动力学的结构弛豫解耦
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223126
L. Andreozzi, M. Bagnoli, M. Faetti, M. Giordano, D. Palazzuoli
Abstract Dynamic processes effective on the nanometre length scale are of interest in supercooled fluids and polymers owing to their influence on structural and dynamic properties of these materials. In particular, nanometre and nanosecond scales mark the crossover from liquid to solid properties when approaching the glass transition. A possible explanation of the complex dynamic response of these systems for these length and time regions is provided in terms of heterogeneity. Heterogeneity in supercooled materials manifests itself by the presence of different domains, which relax towards equilibrium with different rates. Therefore, experimental techniques, which are sensitive to slow and fast molecules and able to follow their dynamics, are of paramount importance in this field of research. The present work is devoted to investigate heterogeneity in a polymer. We focused our attention on a side-chain liquid-crystal polymer (SCLCP). In this study a nanometre-scale molecular probe is dissolved in the SCLCP and its rotational dynamics are studied by linear and nonlinear electron spin resonance (ESR) spectroscopies, which are sensitive to the long and short time scales respectively of the rotational relaxation. In particular, linear ESR spectroscopy evidenced the presence of heterogeneity while on the short time scale detected by nonlinear ESR the correlation decay turns out to be homogeneous.
在纳米尺度上有效的动态过程对过冷流体和聚合物的结构和动力学性能有影响,是这些材料的研究热点。特别是,当接近玻璃化转变时,纳米和纳秒尺度标志着从液体到固体性质的交叉。这些系统在这些长度和时间区域的复杂动态响应的一个可能的解释是在异质性方面提供。过冷材料的非均质性表现为存在不同的畴,这些畴以不同的速率松弛到平衡态。因此,对慢速分子和快速分子敏感并能够跟踪其动力学的实验技术在这一研究领域具有至关重要的意义。本工作致力于研究聚合物的非均质性。我们将注意力集中在侧链液晶聚合物(SCLCP)上。本研究将一个纳米尺度的分子探针溶解在SCLCP中,并利用分别对旋转弛豫的长、短时间尺度敏感的线性和非线性电子自旋共振(ESR)光谱研究了其旋转动力学。特别是,线性ESR光谱证明了非均质性的存在,而在非线性ESR检测的短时间尺度上,相关衰减是均匀的。
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引用次数: 0
Low-frequency dynamics in confined water: A comparative analysis by Raman and inelastic neutron scattering 承压水中低频动力学:拉曼和非弹性中子散射的比较分析
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223130
V. Crupi, D. Majolino, P. Migliardo, V. Venuti
Abstract In this paper we report the results of a study of low-frequency vibrational dynamics and electron-vibration coupling in water in the bulk and confined state, at different hydration percentages. The simultaneous use of both Raman spectroscopy and time-of-flight inelastic neutron scattering allowed us to determine the respective vibrational densities of states (VDOSs), g R eff(ω) and g N(ω). Both the VDOSs show clear evidence of surface-induced vibrational modes, due to the local order distortion with respect to the bulk state.
摘要本文报道了不同水化百分比下体积态和密闭态水中低频振动动力学和电子振动耦合的研究结果。同时使用拉曼光谱和飞行时间非弹性中子散射使我们能够确定各自的状态振动密度(VDOSs), g R eff(ω)和g N(ω)。由于相对于体态的局部阶畸变,两种VDOSs都表现出明显的表面诱导振动模式。
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引用次数: 1
Sol-gel preparation of GeO 2 -doped SiO 2 glasses 溶胶-凝胶法制备掺GeO - 2的sio2玻璃
Pub Date : 2002-03-01 DOI: 10.1080/13642810110084560
S. Grandi, P. Mustarelli, A. Magistris
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引用次数: 0
Fast dynamics of a fragile glass former by time-resolved spectroscopy 用时间分辨光谱分析易碎玻璃成型机的快速动力学
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223143
M. Ricci, P. Bartolini, R. Torre
Abstract We measured the dynamics of the fragile glass former m-toluidine in its supercooled phase by the time-resolved optical Kerr effect. Using an experimental time filtering of the internal molecular vibrations a better insight into the fast relaxation processes has been achieved. We analysed the dynamic features of these fast processes and compared them with the mode-coupling theory predictions.
摘要利用时间分辨光学克尔效应测量了易碎玻璃前体间甲苯胺在过冷相中的动力学。利用内部分子振动的实验时间滤波,可以更好地了解快速弛豫过程。我们分析了这些快速过程的动态特征,并将其与模式耦合理论预测结果进行了比较。
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引用次数: 13
A calorimetric study of structural relaxation in the glassy state of a liquid-crystal polymer 液晶聚合物玻璃态结构弛豫的量热研究
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223127
L. Andreozz, M. Faetti, M. Giordano, D. Palazzuoli
Abstract The physical ageing of a side-chain liquid-crystal polymer is investigated by means of differential scanning calorimetry, which allows one to follow the enthalpy relaxation of the glass. Measurements are performed for different thermal treatments and compared with the predictions of two phenomenological models where the nonlinearity of the ageing process is accounted for by multiparameter expressions. The experimental results can be described with the model based on the Narayanaswamy expression for nonlinearity, although it seems that the model based on the Hodge expression fits experimental data more satisfactorily. In particular, a single set of parameters is determined which describes different experiments. However, the value of the enthalpy loss as a function of the ageing time is greatly overestimated by both models.
摘要采用差示扫描量热法研究了侧链液晶聚合物的物理老化,该方法可以跟踪玻璃的焓弛豫。对不同的热处理进行了测量,并与两种现象模型的预测进行了比较,其中老化过程的非线性是由多参数表达式来解释的。实验结果可以用基于非线性的Narayanaswamy表达式的模型来描述,但基于Hodge表达式的模型似乎更符合实验数据。特别是,确定了一组参数来描述不同的实验。然而,两种模型都大大高估了焓损失作为老化时间函数的值。
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引用次数: 0
Structural relaxation process in glass-forming liquids: A comparison between the optical Kerr effect and dielectric spectroscopy 玻璃形成液体的结构弛豫过程:光学克尔效应与介电光谱的比较
Pub Date : 2002-03-01 DOI: 10.1080/13642810208223144
D. Prevosto, P. Bartolini, Renato Torre, S. Capaccioli, Marilena Ricci, A. Taschin, Dario Pisignano, M. Lucchesi
Abstract We present a comparative analysis of dielectric spectroscopy and optical Kerr effect measurements of relaxation processes in glass-forming phenyl glycidyl ether. In particular we focus our attention on the structural α-relaxation process and the most important finding is the existence of a constant scaling factor between the characteristic times obtained by the two experiments in the high-temperature region.
摘要本文对形成玻璃的苯缩水甘油醚弛豫过程的介电光谱和光学克尔效应测量进行了比较分析。我们特别关注了结构α-弛豫过程,最重要的发现是两个实验在高温区域得到的特征时间之间存在一个恒定的比例因子。
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引用次数: 1
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Philosophical Magazine Part B
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