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.     

Simulation study on the influence of magnetic field in the near-anode region on anode power deposition of ATON-type Hall thruster

The highest deposition of power and temperature is always near the cusp of the ATON-type Hall thruster. This shows that when there are electrons gathering at the cusp, the distribution of heat load will be uniform, which will potentially damage the reliability. Therefore, we optimize the magnetic field near the anode. We changed the magnetic field characteristics in the near-anode region with an additional magnetic screen, and performed numerical simulation with particle-incell simulation. The simulation results show that the magnetic field of the thruster with the additional magnetic screen can alleviate the over-concentration of power deposition on the anode and reduce the power deposition in the anode by 20%, while ensuring that the overall magnetic field characteristics do not change significantly.     

双盘式磁力耦合器振动噪声分析与实验研究

为了在双盘式磁力耦合器设计阶段分析振动噪声特性,优化双盘式磁力耦合器设计,提出了一种利用模态叠加原理来分析其振动噪声的方法。双盘式磁力耦合器具有高转矩密度与高效率等优势,因此逐渐发展成为煤矿机械柔性传动装置。由于双盘式磁力耦合内部的转子磁场非正弦分布以及涡电流谐波等因素影响,双盘式磁力耦合器输出转矩中不可避免的存在波动。若根据计算得出的双盘式磁力耦合器的电磁振动噪声特点,在设计时选取振动噪声小的参数进行优化组合,可在实际中降低其电磁振动及噪声,有利于减少制造成本。本文结合双盘式磁力耦合器的结构特征,提出了一种模态叠加响应法计算电磁振动噪声,建立了其电磁径向力的解析模型,并在多物理场耦合作用下分析主要电磁径向力波在工作频率内的谐波响应,最后在额定功率为55 kW双盘式磁力耦合器实验台上进行试验验证。基于麦克斯韦张量法,建立了双盘式磁力耦合器的径向电磁力解析模型,并得出0阶与10阶电磁径向力波是产生振动噪声的最主要原因;利用多物理场耦合分析法进行谐波响应NVH特性分析,结果显示0阶力波的振动加速度与形变量均大于10阶力波的振动加速度与形变量,因此双盘式磁力耦合器的电磁振动主要来源于0阶力波;在额定功率为55 kW,最高转速为1 500 r/min的双盘式磁力耦合器实验台进行振动测试,试验结果显示在1 500 r/min时,试验得出的最大振动峰值及频率约为35 m/s^2和4 950 Hz,与有限元仿真结果的误差对应为6.3%和1.1%;而当变频电机的输入转速依次增大时,振动加速度的理论值、仿真值与试验值的曲线形态较为接近,误差较小;噪声估计值与实测值的最大误差仅为8.9%,基本验证了本文所提出模态叠加法的正确性。     

中国大气田科学开发的内涵

大气田是指天然气探明地质储量超过300×10~8 m~3、天然气峰值年产量在10×10~8 m~3以上且具有一定稳产期的气田。其是中国天然气储产量快速增长和未来长期稳定发展的重要基础,也是保障我国供气安全的关键。通过对国内外260余个大气田开发实践的系统分析和典型气田的解剖模拟,综合研究了大气田科学开发的内涵、核心技术以及全生命周期指标体系。大气田科学开发的内涵包括:①提出以"识别水、控制水、治理水"为技术体系的天然气开发理念,即常规气田"控水开发"、非常规气田人工压裂"注水开发",根据气藏类型和气藏特征,确定合理的采气速度;②综合评价气田开发经济效益和社会效益,保障气田长期稳产;③根据气井生产特征和储层发育特征,选取适用的气田稳产方式;④依据对常规与非常规气藏不同开发阶段的精细描述、气藏开发特征和生产动态的监测,确定气田可采储量、气田水与人工注水开发规律、气田提高采收率技术对策、气田效益稳产期与发展战略。大气田科学开发的核心技术包括:规模优化技术、科学布井技术、均衡开采技术和深度挖潜技术。进而综合优选出产量、压降、采出程度、单位压降产量等多个参数作为评价大气田科学开发的关键指标,建立了高压、低渗透—致密、裂缝—孔隙型和页岩气等4类气藏的全生命周期指标体系。结论认为,该研究成果有助于指导不同类型大气田的科学开发,进一步促进我国天然气产业的快速发展。     

压裂管汇无损检测方法改进

:按照现有无损探伤检验标准检验合格的压裂管汇在压裂作业时出现了管件刺漏、爆裂等情况。分析了压裂管汇中管件结构的特点和现有的无损检测方法的适用性。增加了管件的检测部位,改进了检测方法,并研制出了能检测不同形状和尺寸管件的超声波探头和比对试件。采用改进的无损检测方法,检测出不合格管件数增加44.9%。新增加检测部位后,检测出不合格管件数增加63.7%。目前已应用改进的无损检测方法1 a多,在压裂作业时未出现高压管件刺漏或爆裂情况。     

机载通信电台通电老炼检测系统设计与实现

为保证航材备件的完好率，解决仓储机载通信电台长期不通电导致的装备性能下降甚至出现故障的问题，综合运用自动测试、虚拟仪器、面向信号设计等技术，以计算机为核心，以PXI仪器、GPIB仪器为依托，以多种总线接口为纽带，构建了一种可靠性高、通用性好、操作简便、可扩展性强的自动化通电老炼平台。通过在航材仓库中使用，证明该电台老炼检测系统降低了仓储通信电台的失效率，提高了仓储电台的完好率。     

Learning bipartite Bayesian networks under monotonicity restrictions

ABSTRACT

Learning parameters of a probabilistic model is a necessary step in machine learning tasks. We present a method to improve learning from small datasets by using monotonicity conditions. Monotonicity simplifies the learning and it is often required by users. We present an algorithm for Bayesian Networks parameter learning. The algorithm and monotonicity conditions are described, and it is shown that with the monotonicity conditions we can better fit underlying data. Our algorithm is tested on artificial and empiric datasets. We use different methods satisfying monotonicity conditions: the proposed gradient descent, isotonic regression EM, and non-linear optimization. We also provide results of unrestricted EM and gradient descent methods. Learned models are compared with respect to their ability to fit data in terms of log-likelihood and their fit of parameters of the generating model. Our proposed method outperforms other methods for small sets, and provides better or comparable results for larger sets.     

大方坯结晶器电磁搅拌器结构优化

为改善连铸结晶器内钢液的流动状况，采用有限元法和有限容积法研究了大方坯结晶器电磁搅拌器结构对连铸结晶器内电磁场、流场和温度场分布的影响。结果表明，新型结晶器电磁搅拌器在400 A、3 Hz时产生的电磁力比传统结晶器电磁搅拌器在500 A、3 Hz时产生的电磁力更加均匀，对结晶器内钢液的扰动更强，可提高结晶器内的传热效率，有助于初始凝固坯壳和等轴晶的形成，改善方坯质量。     

覆岩结构类型与开采覆岩损害特征分析

煤层开采打破了上覆岩层原有的平衡,必然引起岩层的移动、破断,导致应力场和裂隙场的改变,工作面出现矿压显现。上覆岩层的岩性和组合结构对工作面开采覆岩损害特征分布影响显著,一般岩性越坚硬,上覆岩层应力集中程度越高,采动裂隙越发育,矿压显现也越明显;坚硬岩层尤其是关键层对覆岩的破断运动起控制作用,覆岩破断发展到一定层位后软弱岩层往往是抑制覆岩破断进一步向上发展的关键。当工作面上覆岩层同时存在远近场关键层时,近场关键层的周期性破断引起裂隙带范围内岩层的运动和工作面周期来压;而远场关键层的周期性破断导致地表裂缝或台阶下沉,工作面压力急剧上升,有时甚至导致煤矿动压灾害,尤其是远近场关键层同步破断时动力现象更明显。通过地面钻孔使远场关键层提前破断是防止此类动力灾害的关键。     

入口长度对旋转直通式迷宫气封流场及流场力的影响

迷宫密封的转子和定子部件之间的流场和流场力直接影响转子的振动和稳定性。为了深入了解迷宫密封的流场和流场力特性,选取旋转直通式迷宫气封为研究对象,利用稳态CFD分析方法,研究密封入口长度对旋转直通式迷宫气封泄漏、流场和流场力的影响。考虑和不考虑入口预旋的影响,计算不同入口长度的旋转直通式迷宫气封的泄漏量、流场速度流线、总压强分布、流体压力和流体黏滞力。结果表明:随着入口长度的增大,密封流场泄漏量先增加后减小,转子表面流体压力和流体黏滞力先增加后快速减小;入口长度影响着直通式迷宫气封流场力,存在一个特定的入口长度,使转子表面的流体压力和流体黏滞力最大;当考虑入口预旋时,泄漏量、流体压力和流体黏滞力均有所减小。