耦合效应下压力型锚索锚固机理的近似理论分析

为了更加精确地研究压力型锚索的锚固机理,基于锚索预应力与岩土体蠕变的耦合效应推导了锚索预应力方程。在此基础上根据Mindlin问题解,推导了耦合效应作用下锚索砂浆体的压应力和剪应力近似解,并考虑锚索预应力与岩土体蠕变之间的耦合效应进行了案例分析。研究结果表明:锚索预应力和砂浆体受到的应力峰值均按反幂函数随时间逐渐衰减并稳定;承压板的长宽比与压应力峰值之间存在正相关关系,与剪应力峰值之间存在负相关关系;岩土体的泊松比与应力峰值之间存在正相关关系。该成果丰富了压力型锚索锚固机理的理论研究,可为边坡锚固设计提供一定的理论依据。     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Effects of Synthesis Conditions on the Formation of Si-Substituted Alpha Tricalcium Phosphates

Powders of α-TCP containing various amounts of silicon were synthesized by two different methods: Wet chemical precipitation and solid-state synthesis. The obtained powders were then physico–chemically studied using different methods: Scanning and transmission electron microscopy (TEM and SEM), energy-dispersive X-ray spectroscopy (EDS), powder X-ray diffractometry (PXRD), infrared and Raman spectroscopies (FT-IR and R), and solid-state nuclear magnetic resonance (ssNMR). The study showed that the method of synthesis affects the morphology of the obtained particles, the homogeneity of crystalline phase and the efficiency of Si substitution. Solid-state synthesis leads to particles with a low tendency to agglomerate compared to the precipitation method. However, the powders obtained by the solid-state method are less homogeneous and contain a significant amount of other crystalline phase, silicocarnotite (up to 7.33%). Moreover, the microcrystals from this method are more disordered. This might be caused by more efficient substitution of silicate ions: The silicon content of the samples obtained by the solid-state method is almost equal to the nominal values.     

矿山深部开采岩体稳定性监测技术研究

针对矿山深部开采过程中易发生地压动力灾害的问题，基于微震监测技术，结合矿山实际特点建立岩体稳定性监测系统。优化台网设计，通过定点爆破的方法进行波速校正，最终建立了定位误差在10m,灵敏度在-2.2的监测台网。对监测数据进行波形拾取，分析微震事件时空演化特征，圈定潜在危险区域，并对潜在危险区域围岩变形损伤进行分析。最终总结出微震事件大幅度上升且处于较高水平、空间分布高度集聚、能量指数突然下降而累计视体积迅速上升的动力灾害预警前兆。研究结果可为深部开采岩体稳定性监测提供参考。     

The effect of traffic data source on deterioration rates of heavy-duty flexible pavements

The purpose of this study is to assess the effect of traffic data source (estimated vs. actual) on predicted progression rates of roughness and rutting for heavy-duty flexible pavements of rural freeways. Progression rates are predicted using calibrated HDM-4 models. The assessment is performed in terms of variations in maintenance intervention timing associated with the variations in progression rates. Time series pavement condition data (covering 3–5 years) have been collected for 7 sections of rural freeways for use in calibrating HDM-4 deterioration models. They range in length from 10 to 60.8 km and cover different traffic volumes, climate zones and subgrade soil types. For these sections, estimated annual average daily traffic (AADT), growth factors and assumed loading have been extracted from relevant database. Only six segments of these sections have Weigh-in-Motion (WIM) sites so relevant actual AADT, growth factors and axle load distributions have been extracted from WIM reports. The results of running the calibrated HDM-4 deterioration models using different traffic data show that actual traffic data from WIM sites result in higher rates of deterioration to that of estimated data for four sites, resulting in earlier intervention timing and higher present value agency cost. The other two sites have lower rates with actual data due to lower traffic loading than estimated.     

长江经济带城市生态效率演变及驱动因素分析

城市生态文明建设依托于生态效率的改善，基于2005—2016年长江经济带107座城市面板数据，采用超效率SBM（slacks-based measure)模型测算生态效率，并结合探索性空间分析与空间马尔科夫链等探讨生态效率时空演化格局的内在规律， 实证分析生态效率驱动因素的影响效果。研究表明：2005—2016年经济带生态效率总体呈平稳态势，上、中、下游呈现“阶梯型”分布，下游依次优于中游和上游地区，部分地区生态效率呈“两级型”分化趋势；城市间生态效率发展存在空间联动效应，与生态效率高的城市为邻，其正向溢出作用促进城市状态向高水平跃迁，而与生态效率低的城市为邻，其负向作用拉动城市状态向低水平发展；人口规模与产业升级对经济带不同流域具有异质性作用，其提升下游生态效率而抑制中游和上游生态效率，产业升级与生态效率存在“U”型关联，意味着产业升级在短期内并不能使生态效率状态改善，而经济发展有利于促进生态效率向高水平状态演变。     

The control of paracetamol particle size and surface morphology through crystallisation in a spray dryer

The parameters governing the crystallisation of paracetamol using various conventional techniques has been extensively studied, however the factors influencing the drug crystallisation using spray drying is not as well understood. The aim of this work was to investigate the crystallisation of an active pharmaceutical ingredient through evaporative crystallisation using a spray dryer to study the physicochemical properties of the drug and to use semi-empirical equations to gain insight into the morphology and particle size of the dried powder. Paracetamol solutions were spray dried at various inlet temperatures ranging from 60 °C to 120 °C and also from a series of inlet feed solvent compositions ranging from 50/50% v/v ethanol/water to 100% ethanol and solid-state characterisation was done. The size and morphology of the dried materials were altered with a change in spray drying parameters, with an increase in inlet temperature leading to an increase in particle Sauter mean diameter (from 3.0 to 4.4 µm) and a decrease in the particle size with an increase in ethanol concentration in the feed (from 4.6 to 4.4 µm) as a result of changes in particle density and atomised droplet size. The morphology of the dried particles consisted of agglomerates of individual crystallites bound together into larger semi-spherical agglomerates with a higher tendency for particles having crystalline ridges to form at higher ethanol concentrations of the feed.     

Lewis acid-oxygen vacancy interfacial synergistic catalysis over SO42−/Ce0.84Zr0.16O2–WO3–ZrO2 for N,N-diethylation of aniline with ethanol

Herein, a new mechanism involving Lewis acid-oxygen vacancy interfacial synergistic catalysis for aniline N,N-diethylation with ethanol was proposed, and the SO₄²⁻/Ce_0.84Zr_0.16O₂–WO₃–ZrO₂ catalyst (SCWZ) with both Lewis acid sites and oxygen vacancies was synthesized by the hydrothermal method, which shows better catalytic activity than the reported solid acidic catalysts. Besides, the SO₄²⁻/ZrO₂ (SZ) and SO₄²⁻/WO₃–ZrO₂ (SWZ) catalysts were also prepared and compared with SCWZ to investigate the synergistic effect of each component. The SO₄²⁻ and WO₃ mainly generate Lewis acid by bonding with ZrO₂, which is beneficial for the fracture of the N–H bond in aniline. The Ce_0.84Zr_0.16O₂ solid solution mainly plays a vital role in generating the oxygen vacancies as the interface active species, which can participate in stripping –OH from ethanol, then the carbocation will also be released, which only needs 1.3805 kcal/mol energy, calculated by density functional theory (DFT), to be input. In comparison, the traditional reaction mechanism needs the Brønsted acidic sites to promote the protonation of ethanol, then dehydration and subsequent formation of carbocation followed, and 108.6846 kcal/mol energy needs to be input, which is far higher than that of the new mechanism. The apparent activation energy (E_a) over SCWZ was measured by experiment to be 34.09 kJ/mol, which is much lower than that of SWZ (47.10 kJ/mol) and SZ (54.37 kJ/mol), illustrating comparatively preferable kinetics for SCWZ than that of SWZ and SZ. Besides, the conversion of aniline and selectivity to N,N-diethylaniline over SCWZ reach almost 100% and 73%, respectively. The SCWZ can be renewed for 4 times without rapid deactivation, and the longevity of SCWZ is longer than that of SWZ and SZ, as the loaded SO₄²⁻ and tetragonal ZrO₂ are stabilized by Ce_0.84Zr_0.16O₂ and WO₃, respectively.