无氢类金刚石碳膜的研究进展

介绍了无氢类金刚石碳膜的制备方法 ,它们的机械、光学、电学性能 ,将无氢与含氢的类金刚石碳膜进行了简单比较 ,总结及探讨了它们的应用     

铝液析氢界面反应过程动力学研究

建立了铝液中氢的界面反应过程的数学物理模型，对界面反应过程进行了动力学推导和计算。利用铝液直接测氢装置对氢的界面反应动力学过程进行了测试。计算结果与测试结果基本吻合。     

静载荷和疲劳载荷作用下 C/Al 正交层压板的力学响应

本文讨论静载荷及疲劳载荷作用下 C/Al 正交层压板的力学响应,并考虑损伤过程中的临界现象,以此作为结构设计准则的基础。对静载荷作用的情况:(1)90°铺层的门槛应变ε_(FPF)随着约束程度增加而增加,而且开裂后的行为也受约束程度的影响。(2)经历加载-卸载再重新加载至断裂的过程后,初始试样存在一个剩余永久变形,其损伤状态可以用刚度的变化来表征;而疲劳试样在加载-卸载过程中刚度变化很小,反映其损伤达到一个稳定的状态。对疲劳载荷作用的情况:(1)对于给定的应力比 R,试样会趋于与它所承受的 S_(max)最大值相应的 SDS 状态。循环应力范围的不断增大,会引起基体损伤的增加,从而重新建立新的饱和损伤状态。(2)对于每一损伤状态均有一对应的循环应变范围 Δε。在 SDS 状态下,Δε保持不变。(3)以刚度下降为损伤参数对 C/Al 层压板进行了降级应力分析,并由此来预计在ΔS_(sh)以下,层压板不会发生疲劳损伤累积。     

砼受压损伤力学本构模型的研究

本文利用ＭＴＳ公司８１５．０２型电液伺服试验系统对砼进行了等应变速率加载控制的应力一应变全曲线试验，应用不可逆热力学和内变量理论的成果建立了砼损伤力学模型，并用概率统计的观点分析了损伤的演化规律。由于考虑了不可逆变形的影响，本文所建本构模型与实验吻合较好。     

Adhesion Mechanisms of Polyurethanes to Glass Surfaces. III. Investigation of Possible Physico-Chemical Interactions at the Interphase

Surface free energies of polyurethanes made from toluene diisocyanate and 1, 4 butanediol-based hard segments and caprolactone polyol-based soft segments were calculated using additive functions. Good agreement was found between the calculated values based on additive functions and the calculated values based on contact angle measurements. The phase-separated polyurethanes were found to have a higher polar surface free energy component (γ^P). This was linked to the preferential segregation of butanediol/butanediol-derived moieties to the polyurethane surfaces due to phase separation. The adhesion values of these polyurethanes to soda-lime glass were correlated with their respective γ^P values and a linear relationship was found. It was also shown that the adhesion values of the low γ^P polyurethanes improved substantially when the glass surfaces were coated with a thin layer of butanediol prior to the bonding. The modulus of the interphase region rich in butanediol was evaluated. Although a modulus increase was found at the interface, this increase was found to play a secondary role in the adhesion. The chemical interactions at the polyurethane/glass interphase were investigated by pre-treating the glass surfaces with methyl-trimethoxysilane and trimethylchlorosilane prior to adhesion testing. The adhesion data showed no significant difference between the uncoated and the silane-treated glass substrates. Based on this experimental evidence, the possibility of any covalent or ionic bonding at the polyurethane/glass interphase was assumed negligible. It was determined that the mechanism of adhesion between the polyurethanes and the glass surface could be through the formation of an interphase region in which hydrogen bonding between the butanediol-rich interphase region and the hydroxylated glass surface plays a key role.     

Homology modelling of annexin I: implicit solvation improves side-chain prediction and combination of evaluation criteria allows recognition of different types of conformational error

Annexin I homology models were built from the annexin V crystalstructure. Three methods for side-chain prediction were testedbased on molecular mechanics conformational search, the useof a rotamer database, or a combination of these two methods.We showed that rotamer-based methods were more efficient andthat molecular mechanics energy minimizations, prior to rotamerselection, did not afford clearly improved predictions. Modelsbuilt in vacuo and with an implicit solvation term were comparedwith the annexin I crystal structure which became availableduring the course of this study. The analysis of solvation energies,root mean square deviations, Xi angles and hydrogen bonds showedthat models built with implicit solvation were of better quality.In annexin V, repeat III displays A-B and D-E loop conformationsquite different from other repeats. Since the sequence differencessuggest that repeat III in annexin I might present a conformationsimilar to other repeats, two annexin I models with differentrepeat III conformations were built and compared to determinewhether the correct conformation could have been predicted.We show that using a combination of evaluation criteria, itis possible to discriminate unequivocally between the nativeand the incorrect fold, stressing that only one criterion shouldnot be used to evaluate protein structures.     

Valid parameter range analyses for chemical reaction kinetic models

The present work quantifies the relations between the structure of a chemical reaction kinetic model, its valid parameter range, and the truncation error tolerance of the model. General methods are presented to solve the three important problems of valid parameter range analysis: (1) identification of the valid parameter range of a kinetic model, (2) estimation of the error tolerance required when applying a kinetic model over a specified parameter range, and (3) improvement of existing model generation algorithms to construct more robust models. Finally, the relationship between a model's structure, its valid parameter range, and the truncation error tolerance are illustrated by the flexibility-tolerance-model graph. The new methods are applied to pyrolysis of methane/ethane mixtures.     

不同预处理方法对稻秸纤维表面性质的影响

通过对稻秸原料进行水热、酸碱和冷等离子体预处理,分析了纤维表面的浸润性及表面自由基浓度的变化。研究表明,经水热及酸碱预处理后,纤维与水的接触角为90o,稻秸纤维的浸润性改善不明显,经冷等离子改性后,稻秸纤维表面浸润性改善非常明显。水热及乙酸处理有利于提高稻秸纤维的表面自由基浓度,碱处理则降低了稻秸纤维的表面自由基浓度。     

Energetics of Plastic Deformation of Metastable Austenitic Stainless Steel

The change in the internal energy during uniaxial tensile deformation of austenitic stainless steels EN 1.4301 (AISI 304) and EN 1.4318 (AISI 301LN) was determined by measuring the extent of γ→α'‐martensite transformation and the temperature increase of the samples. From the results the fraction of the stored energy of cold work and the free energy change related to the strain‐induced γ→α'‐martensite transformation were determined. The fraction of stored energy varied around 0.4. With the metastable steel grades the free energy change related to the γ→α'‐martensite transformation was found to vary between ‐98 MJ/m³ and ‐206 MJ/m³ depending on the austenite stability of the steel. Furthermore, the magnitude of the mechanical driving force was estimated by comparing the results with the free energy change of thermally induced transformation.     

Viscous behaviour of glass-forming liquids: a thermodynamic approach

The temperature dependence of the viscosity of the undercooled melts exhibits an important role in the study of nucleation, crystal growth and the glass-forming ability of materials. Several attempts have been made to study the viscous behaviour of the glass-forming melts and these investigations are mainly based on free volume theory as well as on the configurational entropy model. In the present investigation, an attempt has been made to correlate the thermodynamic parameters with the viscosity of the glass-forming melts and to study the temperature dependence of the viscosity of undercooled liquids on the basis of the free volume theory as well as on the basis of the configurational entropy model of Adam and Gibbs. The entire study is confined on the expression for thermodynamic parameters reported by the authors recently. The expression obtained has been successfully applied to study the temperature dependence of the viscosity of the metallic, molecular and oxide glass-forming liquids.