Gelation Studies, 3

Summary: The sol‐gel transition of one thermoreversible gelling mixture made of xanthan gum and locust bean gum has been studied by using in situ time‐resolved dynamic light scattering (DLS) and measuring the spin‐lattice relaxation time T₁ of several protons. A critical dynamical behavior was observed near the sol‐gel transition, which is characterized by the presence of power‐law spectra over four decades of the delay time in the time‐intensity correlation function g₂(t)−1 ∼ t^−μ at 48 °C. The increase in T₁ with increasing temperature becomes steeper at 50 °C indicating a significant change in the local mobility of one anomeric proton of the xanthan side chain and the anomeric protons of the locust bean gum mannose backbone.

Temperature dependence of the spin‐lattice relaxation time T₁ for the equatorial anomeric proton of the mannopyranosic unit located next to the main chain of the xanthan.     

Experiments on the Magnetism of Sc Implanted into Metals

The study of dilute Sc impurities in either heavier d-transition metals or in alkali metal hosts is difficult due to their limited solubility; however, the large host-impurity mismatch in these systems makes them particularly interesting in terms of local electronic structure. One way to overcome the solubility problem is implantation into the desired host; in particular, using recoil implantation following heavy-ion nuclear reactions, deep implantation into practically any host can be achieved. Here, we compare the implantation of ⁴³Sc into Cs, studied in situ by the in-beam TDPAD method [1], with the implantation of ^44m Sc into Fe, studied by low-temperature nuclear orientation (LTNO) and related techniques (NMRON, thermal cycling) [2].     

Investigation of Viscosity and Density Versus Temperature in Comparison with 1H Nmr Relaxation time Results for O,M-, P-Xylenes and α -,β-, γ - Picolines

The paper presents the results of density and viscosity measurements in liquid derivatives of benzene and pyridine, well purified, degassed or aerated, depending on temperature, in the whole liquidity range. Gaseous admixtures were found to affect the viscosity of liquids. From one to three Arrhenius regions were observed, depending on the structure and orientational freedom of the molecules. the results are discussed on the background of 1H NMR relaxation time studies with regard to the effect of dipole interactions on the structure of close packing.     

Irreversible deformation of macromolecular networks

Based upon a thermodynamical approach, the generalized Onsager type of relaxation of van der Waals networks is presented. By linearly and identically coupling the set hidden variables to the network, the memory function of the system can be related to the equilibrium strain-energy function. The relaxation behavior of real networks on stretching can quantitatively be described by means of a distribution of relaxation times known from small strain experiments. Some new and interesting conclusions are discussed as to how the macroscopically non-linear visco-elastic response might be interpreted.     

国产航空有机玻璃(PMMA)的非线性应力松弛行为研究

实验测定了国产航空有机玻璃PMMA在室温(20℃)、3—20.45％应变量范围内的应力松驰曲线。将用于表述中低应变率下加卸载循环的应力—应变行为的非线性本构理论,也即以考虑弹性和粘弹性变形的标准线性体和考虑塑性变形的活化粘壶作串联耦合的本构模型扩展应用到应力松弛状态,给出了相应的本构理论方程。对实验测得的应力松弛曲线进行数值拟合计算,吻合结果良好。表明所提出的本构模型也适用于描述PMMA的非线性应力松弛行为。得到了平衡态的应力一应变曲线,曲线的单调变化,表明不存在屈服极大值及以后的应变软化效应。     

An analysis of over-relaxation in a kinetic approximation of systems of conservation laws

The over-relaxation approach is an alternative to the Jin–Xin relaxation method in order to apply the equilibrium source term in a more precise way. This is also a key ingredient of the lattice Boltzmann method for achieving second-order accuracy. In this work, we provide an analysis of the over-relaxation kinetic scheme. We compute its equivalent equation, which is particularly useful for devising stable boundary conditions for the hidden kinetic variables.     

聚对苯二甲酸乙二酯非晶态膜片单轴热——拉伸中的结晶与松弛

用动态力学损耗温度谱作为测试手段,研究了非晶态PET膜片在78—112℃温度范围内的单轴拉伸。实验结果说明,在较低温度下所得结晶的拉伸试样,完全由于应变诱发结晶,发生在应力-应变曲线的屈服后应力开始上升的阶段。在较高温度下(90℃或更高)拉伸可得非晶态而且光学各向同性的试样,是由于分子链的小尺度取向在拉伸过程中已完全热松弛所致,而分子链的大尺度取向要通过高弹态流动而松弛,其速率较慢,用拉伸后试样两端固定时的应力松弛进行了观察。在较低温度下应力松弛后仍为非晶态,在较高温度下应力松弛到起始应力的1O％下才开始结晶。FTIR研究表明在这种状态下的结晶有一结晶诱导期,其时间尺度与应力松弛阶段相当。     

First‐principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface

The structural and electronic properties of five terminations of cubic lead titanate (PbTiO₃) (110) polar surface were investigated by first‐principles total‐energy calculations using a periodic slab model. On the PbTiO termination, an anomalous filling of conduction band was observed, whereas on the O₂ termination, two surface oxygen atoms formed a peroxo group, demonstrating that the electronic structures of the two stoichiometric terminations undergo significant changes with respect to bulk materials. However, for the three nonstoichiometric TiO‐, Pb‐, and O‐terminated surfaces, their electronic structures are very similar to bulk. Charge redistribution results for the five terminations confirmed that electronic structure and surface composition changes are responsible for their polarity compensation. However, which mechanism actually dominates the stabilization process depends upon energetic considerations. A thermodynamic stability diagram suggested that the two stoichiometric terminations are unstable; however, the three nonstoichiometric terminations can be stabilized in some given regions. Furthermore, this study indicates that the very different stabilities and surface states filling behaviors of the PbTiO₃ (110) polar surface with respect to SrTiO₃ and BaTiO₃ ones seem to originate from the partially covalent characteristics of Pb O pairs. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009