汽车整车非线性动力计算

通过轿车副车架橡胶支承的动态特性试验和理论分析,实现橡胶支承迟滞特性的数学建模和参数识别。利用所建模型重构恢复力-位移迟滞回线,并与试验结果比较表明所建模型的正确性。介绍了具有线性和非线性连接子结构的自由界面模态综合法的基本原理,并采用该方法建立了考虑副车架橡胶支承迟滞特性的整车非线性动力学模型,用所建模型对汽车动力特性进行了数值仿真,并通过试验对仿真结果进行验证。     

13.56 MHz/2 MHz柱状感性耦合等离子体参数的对比研究

通过Langmuir双探针和发射光谱诊断方法,对比研究了驱动频率为13.56 MHz和2 MHz柱状感性耦合等离子体中电子密度和电子温度的径向分布规律.结果表明:在高频和低频放电中,输入功率的增加对等离子体参数产生了不同的影响,高频放电中主要提升了电子密度,低频放电中则主要提升了电子温度.固定气压为10 Pa,分别由高频和低频驱动时,电子密度的径向分布均为"凸型".而电子温度的分布差异比较明显,高频驱动时,电子温度在腔室中心较为平坦,在边缘略有上升;低频驱动时,电子温度随径向距离的增加而逐渐下降.为了进一步分析造成这种差异的原因,在相同放电条件下采集了氩等离子体的发射光谱图,利用分支比法计算了亚稳态粒子的数密度,发现电子温度的径向分布始终与亚稳态粒子的径向分布相反.继续升高气压到100 Pa,发现不论高频还是低频放电,电子密度的径向分布均从"凸型"转变为"马鞍形",较低气压时电子密度的均匀性有了一定的提升,但低频的均匀性更好.     

Short Tm3+-doped fiber lasers with watt-level output near 2 μm

High-power operation of diode-pumped fiber lasers at wavelength near 2μm are demonstrated with short length of heavily Tm3 -doped silica glass fibers. With 7-cm long fiber, a laser at near 2 μm is obtained with the threshold of 135 mW, maximum output power of 1.09 W, and slope efficiency of 9.6% with respect to the launched power from a laser diode at 790 nm. The output stability of this fiber laser is within 5%.The dependence of the performance of fiber lasers on the operation temperature and cavity configuration parameters is also investigated.     

薄膜生长荧光显微图像实时采集与分析系统

设计了一套具有一定实用意义和科学价值的薄膜生长荧光显微图像实时采集与分析系统,可以实现透明衬底上有机荧光分子薄膜生长的实时原位监测。进一步阐明了系统的硬件构筑思路和软件设计架构,并依据薄膜的形貌特征,给出8个主要生长信息参数及其求取算法,并利用自行搭建的实验系统,针对联六苯(p-6P)分子在云母衬底上的纳米纤维生长过程,得出了其准一维的线性生长规律。该系统作为重要的薄膜生长成像监测技术,有望在薄膜与衬底表面相互作用和衬底微区结构特性研究等方面起到积极的作用。     

Structural and luminescence characteristics of CuAlxIn1−xSe2 (0 < x ≤ 0.30) chalcopyrite solid solutions

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Kinetic Studies of the Thermal cis-to-trans Isomerization of Dioxaphospholanes

By following a previously reported method,¹ the synthesis of r-2-alkoxy-cis-4-cis-5-dimethyl-1,3,2-λ³-dioxaphospholanes ligands (1 and 3) was carried out. The purpose of this work is the kinetic study of the inversion barrier at phosphorus for 1 and 3 and the comparison with the already informed dioxaphospholane 2. The kinetic measurements of the thermal isomerization cis-to-trans were performed by ³¹P NMR spectroscopy, observing a first order kinetics for both compounds. The energy of activation (E_a) for the epimerization of compounds cis-1 and cis-3 was calculated to be 16.0 ± 0.6 and 11.8 ± 0.8 kcal/mol, respectively. The values of the thermodynamic parameters of the transition state (Δ H^≠, Δ S^≠, Δ G^≠) suggest that the inversion at phosphorus not only depends on the spatial requirements of the alkoxy substituent but also on entropic effects. The thermodynamic parameters Δ H°, Δ S°, and Δ G° were also evaluated and they show that the cis isomers are preferred from enthalpic point of view, but entropic effects dominate the equilibrium trans ? cis leading to the entropically favored trans isomers. Furthermore, the results are supported by density functional theory calculations of 1–4 at the B3LYP/6-31G** level.     

Physicochemical and Graph Theoretical Descriptors in Developmental Toxicity SAR: A Comparative Study

Abstract

Chemical insults to the developing fetus can lead to growth retardation, malformation, death, and functional deficits. The present study seeks to determine if physicochemical and/or graph theoretical parameters can be used to determine a structure-activity relationship (SAR) for developmental toxicity, and if consistency is observed among the selected features. The biological data utilized consists of a diverse series of compounds evaluated within the Chernoff-Kavlock in vivo mouse assay. Physicochemical parameters calculated correspond to electronic, steric, and transport properties. Graph theoretical parameters calculated include the simple, valence, and kappa indices. Both sets of parameters were independently applied to derive SARs in order to compare the quality of the respective models. Multiple random sampling, without replacement, was utilized to obtain ten training/test partitions. Models were built by linear discriminant analysis, decision trees, and neural networks respectively. Comparisons on identical sets of data were carried out to determine if any of the model building procedures had a significant advantage in terms of predictive performance. Furthermore, comparison of the features selected within and across the model building processes led to the determination of model consistency. Our results indicate that consistent features related to developmental toxicity are observed and that both physicochemical and graph theoretical parameters have equal utility.     

Study of the Molecular Mobility in Polymers with the Thermally Stimulated Recovery Technique—A Review

Thermally stimulated recovery (TSR) is a non‐conventional mechanical spectroscopy technique that allows to analyse in detail the relaxation processes of polymeric systems in the low frequency region. This work reviews the main aspects and potentialities of this technique. The different kinds of TSR experiments that can be performed, global and thermal sampling (TS) experiments, are described and illustrated with several examples. Also, the different methods for the determination of the thermokinetic parameters (activation energy and pre‐exponential factor) of the thermal sampling (TS) procedure are explained and compared. In this context, the compensation phenomenon, which always appears in TSR results when the studies are performed in the glass transition region of a given system, is discussed. Examples of the application of this technique to different polymeric systems during the last 20 years are provided. An emphasis will be made on the analysis of the effect of crystallinity degree and crosslink density on the TSR response. A comparison between the results (characteristic times and activation energies) obtained by different techniques, namely TSR, dynamic mechanical analysis (DMA), and differential scanning calorimetry (DSC), is made.     

Differential geometric analysis of alterations in MH α‐helices

Antigen presenting cells present processed peptides via their major histocompatibility (MH) complex to the T cell receptors (TRs) of T cells. If a peptide is immunogenic, a signaling cascade can be triggered within the T cell. However, the binding of different peptides and/or different TRs to MH is also known to influence the spatial arrangement of the MH α‐helices which could itself be an additional level of T cell regulation. In this study, we introduce a new methodology based on differential geometric parameters to describe MH deformations in a detailed and comparable way. For this purpose, we represent MH α‐helices by curves. On the basis of these curves, we calculate in a first step the curvature and torsion to describe each α‐helix independently. In a second step, we calculate the distribution parameter and the conical curvature of the ruled surface to describe the relative orientation of the two α‐helices. On the basis of four different test sets, we show how these differential geometric parameters can be used to describe changes in the spatial arrangement of the MH α‐helices for different biological challenges. In the first test set, we illustrate on the basis of all available crystal structures for (TR)/pMH complexes how the binding of TRs influences the MH helices. In the second test set, we show a cross evaluation of different MH alleles with the same peptide and the same MH allele with different peptides. In the third test set, we present the spatial effects of different TRs on the same peptide/MH complex. In the fourth test set, we illustrate how a severe conformational change in an α‐helix can be described quantitatively. Taken together, we provide a novel structural methodology to numerically describe subtle and severe alterations in MH α‐helices for a broad range of applications. © 2013 Wiley Periodicals, Inc.     

Conductometry and Thermodynamics Study of Metal Dodecyl Sulfates in Aqueous Solution

The aggregation behavior of metal dodecyl sulfates (MDS), [Na¹⁺, Mg²⁺, Mn²⁺, Co²⁺, and Ni²⁺] in water has been studied by electrical conductivity (at 293.15–333.15 K) and surface tension methods (at 303.15 K). Critical micelle concentrations (CMCs), degree of counterion dissociation (β) evaluated from conductivity data. Using law of mass action model, the thermodynamic parameters viz. Gibbs energy (ΔG_m ⁰), enthalpy (ΔH_m ⁰), and entropy (ΔS_m ⁰) were evaluated. The enthalpy of micellization decreases strongly with increasing temperature. ΔG is always negative (thermodynamically favored process) and slightly temperature and counterion dependent. Gibbs energy and entropy exploit micellization as thermodynamic favorable process. The electrostatic repulsions between ionic head groups, which prevent the aggregation, are progressively screened as the ionic character decreases with the size of the counterion. The plots of differential conductivity, (dk/dc) _T,P , versus the total surfactant concentration enables us to determine the CMC values more precisely than the conventional method. Surfactants with strong condense counterion are adapted to rodlike micelle better than to a spherical micelle. The data are explained in terms of molecular characteristics of surfactants viz. degree of dissociation, polar head group size and counterion.