退火温度对0Cr25Al5热轧态盘条钢组织及性能的影响

采用显微组织分析和分子动力学模拟等方法研究了退火温度对0Cr25Al5热轧态盘条钢组织及性能的影响。结果发现,晶粒尺寸随温度的升高逐渐增加并趋于稳定,但是断后伸长率和断面收缩率在950 ℃突然大幅度下降。试样组织形貌在800 ℃和950 ℃退火温度下的OM及SEM分析结果未见明显差别。于是使用分子动力学模拟对0Cr25Al5钢三元体系的自由能进行了计算,发现随着B2结构的FeAl或者DO3结构的Fe₃Al有序相尺寸的增大,系统自由能先减小后增大,其最小值随着退火温度的升高向有序相颗粒尺寸减小的方向移动。在1273 K的高温下仍然会保留60 nm左右大小的有序相颗粒。因此,推测0Cr25Al5钢在大于950 ℃的温度范围内韧性下降是由于60 nm左右的B2结构的FeAl或者DO3结构的Fe₃Al有序相造成,与晶粒尺寸无关。因此,针对该钢种应进行低温退火促使基体组织回复以消除缺陷,从而抑制Fe、Al等基体原子的扩散。     

微间隙共形圆柱接触力模型的适用性分析

针对目前间隙铰接副接触力模型无法有效表述不同材料耗散阻尼效应,以及不适用于微间隙共形接触的问题,分析各种接触力模型中弹性接触力和耗散阻尼力计算方法的优缺点,提出一种普适性的圆柱内接触力分析模型。该模型将接触力描述为接触深度的显式函数,并将其适用范围有效地扩展至微间隙和低恢复系数工况。采用含间隙铰接副的曲柄-滑块机构进行动力学分析,对所提出接触力进行验证,计算结果表明:所提出的普适性接触力模型体现了微间隙时更高的接触刚度和低恢复系数时显著的阻尼效应,从而可为不同材料和间隙尺寸的间隙铰接副力学分析提供更为完备的计算模型。     

改性淀粉抑制赤铁矿反浮选石英的作用机理研究

通过矿物浮选试验、动电位测定以及吸附量测试,考察了4种淀粉抑制剂对赤铁矿和石英浮选性能的影响,并探讨了其作用机理。在碱性条件下,改性淀粉抑制剂对赤铁矿抑制效果明显,且以改性玉米淀粉效果最佳,改性磷酸酯淀粉、改性羧甲基淀粉的抑制效果次之,而普通淀粉抑制作用一般。同时4种淀粉抑制剂对主要脉石矿物石英的抑制效果均不明显。pH=10~12.5条件下,改性玉米淀粉因其羟基氧和裸露在赤铁矿表面的铁元素发生了化学键合,因而选择性抑制能力最佳。分子动力学模拟表明,改性玉米淀粉片段与赤铁矿作用更为紧密,验证了改性淀粉能更好地抑制赤铁矿。     

Modeling Alcohol Dehydrogenase Catalysis in Deep Eutectic Solvent/Water Mixtures

The use of oxidoreductases (EC1) in non-conventional reaction media has been increasingly explored. In particular, deep eutectic solvents (DESs) have emerged as a novel class of solvents. Herein, an in-depth study of bioreduction with an alcohol dehydrogenase (ADH) in the DES glyceline is presented. The activity and stability of ADH in mixtures of glyceline/water with varying water contents were measured. Furthermore, the thermodynamic water activity and viscosity of mixtures of glyceline/water have been determined. For a better understanding of the observations, molecular dynamics simulations were performed to quantify the molecular flexibility, hydration layer, and intraprotein hydrogen bonds of ADH. The behavior of the enzyme in DESs follows the classic dependence of water activity (a_W) in non-conventional media. At low a_W values (<0.2), ADH does not show any activity; at higher a_W values, the activity was still lower than that in pure water due to the high viscosities of the DES. These findings could be further explained by increased enzyme flexibility with increasing water content.     

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.     

Dynamic analysis of tapping mode atomic force microscope (AFM) for critical dimension measurement

Transient dynamics of tapping mode atomic force microscope (AFM) for critical dimension measurement are analyzed. A simplified nonlinear model of AFM is presented to describe the forced vibration of the micro cantilever-tip system with consideration of both contact and non-contact transient behavior for critical dimension measurement. The governing motion equations of the AFM cantilever system are derived from the developed model. Based on the established dynamic model, motion state of the AFM cantilever system is calculated utilizing the method of averaging with the form of slow flow equations. Further analytical solutions are obtained to reveal the effects of critical parameters on the system dynamic performance. In addition, features of dynamic response of tapping mode AFM in critical dimension measurement are studied, where the effects of equivalent contact stiffness, quality factor and resonance frequency of cantilever on the system dynamic behavior are investigated. Contact behavior between the tip and sample is also analyzed and the frequency drift in contact phase is further explored. Influence of the interaction between the tip and sample on the subsequent non-contact phase is studied with regard to different parameters. The dependence of the minimum amplitude of tip displacement and maximum phase difference on the equivalent contact stiffness, quality factor and resonance frequency are investigated. This study brings further insights into the dynamic characteristics of tapping mode AFM for critical dimension measurement, and thus provides guidelines for the high fidelity tapping mode AFM scanning.     

桁架式火星探测器的着陆缓冲特性分析

着陆缓冲机构是着陆器实现行星探测软着陆的关键部位之一,它的缓冲性能直接关系到着陆器是否能安全地在行星表面实现软着陆。根据某院提供的火星着陆器模型,在三维建模软件中建立着陆器的合理简化模型,为了提高分析着陆器软着陆过程冲击响应的准确性,采用MSC公司的Patran/Dytran有限元软件,用瞬态动力学的方法对着陆器的缓冲性能进行分析。仿真结果与试验数据十分吻合,着陆器的缓冲和传力性能良好。因此,采用拉杆缓冲的桁架式火星着陆器是可行的,仿真结果与试验数据也为今后的火星探测提供了参考。     

Shape optimization of bi-directional flow passage components based on a genetic algorithm and computational fluid dynamics

The inlet/outlet is an important part of a water conveyance system in a pumped storage power station (PSPS). Its hydraulic characteristics are directly related to the operation and economic benefit of the PSPS. Frequent changes between inflow and outflow operations pose significant challenges in the design of the inlet/outlet diffusion segment shape. In this study, an effective optimization method, including three-dimensional parametric modelling, computational fluid dynamics and a genetic algorithm, is introduced and coupled to the design of the diffusion segment shape. The hydraulic characteristics of bi-directional flow, including the head loss, velocity uneven distribution and uneven discharge distribution, are selected as the objective function in the optimization method. Using this method, the recommended shape of the inlet/outlet is studied and its hydraulic characteristics are discussed. The results indicate that the optimized inlet/outlet has better performance.     

Slag eye formation in single and dual bottom purged industrial steelmaking ladles

ABSTRACT

Argon gas is often injected from the bottom of the ladle during steel refining operations. The injected gas interacts with the liquid (metal and slag) bath and enhances the momentum, heat, and mass transfer rate in the melt. However, during these gas–liquid interactions, an opening of the slag layer called slag eye is formed, which exposes the molten metal surface to the atmosphere, which is generally undesirable. In the current work, a transient, three-dimensional mathematical model is used to study the turbulent gas–liquid interactions in single as well as dual bottom blown industrial steelmaking ladles. A Coupled Level Set Volume of Fluid (CLSVOF) model is used for tracking the steel-argon, steel-slag, and argon-slag interfaces, from which the slag-eye area has been predicted. It is found that the inlet gas purging rate, melt height, slag layer thickness, angular and radial positions of the gas inlets affect the slag opening area. Non-dimensional empirical correlations are proposed to predict the slag opening area in both single as well as dual purged ladles, using non-linear regression analysis.     

Controllability and observability of multi-agent systems with heterogeneous and switching topologies

ABSTRACT

This paper focuses on controllability and observability of multi-agent systems with heterogeneous and switching topologies, where the first- and the second-order information interaction topologies are different and switching. First, based on the controllable state set, a controllability criterion is obtained in terms of the controllability matrix corresponding to the switching sequence. Next, by virtue of the subspace sequence, two necessary and sufficient algebraic conditions are established for controllability in terms of the system matrices corresponding to all the possible topologies. Furthermore, controllability is considered from the graphic perspective. It is proved that the system is controllable if the union graph of all the possible topologies is controllable. With respect to observability, two sufficient and necessary conditions are derived by taking advantage of the system matrices and the corresponding invariant subspace, respectively. Finally, some simulation examples are worked out to illustrate the theoretical results.