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.     

火成岩侵入区煤层巷道支护方案数值模拟分析

本文以永定庄矿3-5^#层盘区皮带巷为研究对象,针对火成岩侵入区掘进顶板易冒落、锚索锚固效果差等工程问题,对破碎全煤巷进行了支护设计。根据火成岩侵入区巷道优化设计试验段的实际工程情况,建立了合理的数值模型,对掘进期间巷道的支护效果进行模拟分析,确定了最优的巷道支护方案。     

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.     

Electro-magneto temperature-dependent vibration analysis of functionally graded-carbon nanotube-reinforced piezoelectric Mindlin cylindrical shells resting on a temperature-dependent,orthotropic elastic medium

Vibration smart control analysis of a temperature-dependent functionally graded-carbon nanotube-reinforced piezoelectric cylindrical shell embedded in an orthotropic elastic medium is investigated. The mixture law is used for obtaining the material properties of the structure. The structure is subjected to a 2D magnetic field. Considering the first-order shear deformation theory, the motion equations are obtained. Based on an analytical method and differential quadrature method, the frequency is calculated. The effects of applied voltage, magnetic field, volume percent, and distribution type of carbon nanotubes, temperature, orthotropic elastic medium, and length to radius ratio of the shell are shown on system frequency.     

Probabilistic seismic damage assessment of reinforced concrete buildings considering directionality effects

Most of buildings and structures are usually projected according to two main axes. However, the geographical position of these buildings varies randomly. Such random distributions of the azimuthal positions of structures, in most of the cities, generally, are not accounted for when assessing their seismic risk; certainly, the direction of the seismic loads is another highly random variable. Moreover, an additional important source of uncertainty is related to the structural response, mainly due to the random character of the mechanical properties. There is a consensus that uncertainties must be considered for adequately assessing the seismic risk of structures, but these directionality effects have not been deeply explored so far. In this article, the influence of the high uncertainty involved in these input variables on the expected seismic damage is analysed. Thus, an actual earthquake, which affected the southern part of Spain, is studied. Notably, damages on a group of affected buildings, located close to the epicentre, are analysed and discussed in detail. The results show that the influence of the random azimuthal position of structures is an important source of uncertainty and that it should be taken into account when estimating the expected seismic risk in urban areas.     

高温气冷堆舱室抗商用飞机撞击的耦合数值分析

本文建立了大型商用飞机撞击典型高温气冷堆核电站反应堆舱室的非线性有限元模型，计算中混凝土舱室直接采用工程用钢筋混凝土的损伤塑性本构模型，飞机结构采用Johnson-Cook本构模型。对飞机高速撞击高温气冷堆核电站反应堆舱室非线性撞击过程进行模拟计算，得出正面和侧面撞击条件下的撞击载荷曲线、撞击位移云图、反应堆舱室混凝土破坏情况等结果。评估表明，反应堆舱室结构在撞击条件下的整体损伤微小，可为保护内部关键设备提供重要的屏障功能。     

Focusing characteristics of the relativistic electron beam transmitting in ion channel

Based on the beam–plasma system model established in this paper, the trajectory of the electron beam in the ion channel is studied quantitatively through the envelope equation. Under different initial system parameters, the focusing transmission conditions of the beam in the ion channel are discussed. Then, a series of particle-in-cell simulations are performed, which generally versifies the theoretical results and shows some further details of the focusing behavior of the beam. It is found that the deceleration of some electrons around the focusing point or the beam–plasma interaction at the ion channel boundary will result in the generation of the residual electrons,which forms the electron return current that leads to the new instabilities influencing the focusing characteristics of the beam.     

两池火耦合作用下柴油拱顶罐热响应的数值模拟

化工园区多池火事故是典型的高后果低概率事件。鉴于目前两池火辐射模型存在一定局限性，本文采用数值模拟方法，以3个直线排布的5000m³柴油拱顶罐为研究场景，从热释放速率、火焰形态、热辐射强度三方面分析两池火燃烧特性，并与单池火场景对比，考虑储罐间距这一影响因素，进一步研究目标储罐热响应。结果表明：采用GB 50160—2008（2018年版）规定的防火间距，两燃烧罐产生的池火会发生耦合作用，并得出目标储罐受到的热辐射强度分布，最高热辐射达17.04kW/m²；两池火作用下目标储罐的温度、Mises应力与失效时间分别为644℃、356MPa、936s，单池火为488℃、280MPa、2880s，目标储罐在两池火作用下的变形也比单池火更为严重；随着储罐间距增加，目标储罐的温度与Mises应力逐渐减小，失效时间逐渐增加，当储罐间距为标准防火间距的2.5倍（20m）时，失效时间为2800s，与单池火作用产生的失效时间2880s较为接近。本研究可为优化储罐防火间距及区域韧性提升提供理论指导。     

[成形过程仿真优化与集成计算材料工程]限定加热管布局的快速热循环注塑成形模具电加热系统优化

针对管道布局、最大允许能耗给定条件下快速热循环注塑成形（RHCM）注塑模具型腔表面快速均匀加热的问题，提出以单根加热棒热流密度为设计变量，以模具型腔表面升温效率和温度分布均匀性为目标，结合有限元模拟、响应面设计以及多目标粒子群优化技术来优化RHCM模具电加热系统。与优化前相比，加热系统优化后，模具型腔表面最大温差降低63.4%，加热系统总能耗降低9%。对比了不同注塑成形工艺条件下成形的平板塑件表面质量，结果表明，相对传统注塑成形（CIM）工艺，RHCM工艺将制品表面粗糙度Ra从320 nm降低到118 nm，并有效抑制了制品表面熔接痕、缩痕等缺陷；发现制品表面粗糙度与型腔表面对应点温度成负相关，说明优化后的型腔表面温度分布更有利于提升制品表面质量。