The Topology Sampling of H2SO4·NH3 with Meta-Dynamics Method

The configurations of molecular clusters have significant impacts on their growth into fine particles in atmosphere. In this paper, we explore the topology space of the structure of H2SO4·NH3 dimer with a novel sampling technique of meta-dynamics (MTD) method and ab initio molecular dynamics simulations. The simulations are carried out at the temperatures of both 50 K and 242 K, which represent the typical high and low latitudes of troposphere. The results show that, compared with only traditional MD simulations, the structure samplings are significantly accelerated with MTD method. Therefore, more isomers of the dimer are discovered within the same simulation time scale. In addition, the results show that MTD is more efficient for circumstances with high temperature.     

Fracture mechanics analysis of an anti-plane crack in gradient elastic sandwich composite structures

International Journal of Mechanics and Materials in Design - The strain gradient elasticity theory is applied to the solution of a mode III crack in an elastic layer sandwiched by two elastic...     

热处理对超硬高速钢M42冷拔材组织和塑性的影响

采用中间退火、炉冷退火及相变退火等工艺处理W2Mo9Cr4VCo8(AISI M42)超硬高速钢冷拔钢丝(Φ5.2 mm、Φ4.96 mm),研究分析了不同组织因素对M42材料形变硬化和塑性的影响规律。结果表明,位错密度、铁素体晶粒度及亚微米级碳化物,在不同程度上影响M42高速钢形变硬化和塑性失稳行为。800℃中间退火和860炉冷退火能够显著降低铁素体位错密度,在一定程度上恢复加工硬化能力、改善M42高速钢加工塑性。860℃加热+750℃等温相变退火能够获得低位错密度、细小晶粒内部弥散分布亚微米碳化物颗粒的均匀复相组织,有利于提高材料加工硬化能力,使M42钢延伸率提升至20%。     

程序升温法制备WP催化剂及其催化性能

以偏钨酸铵和磷酸氢二铵为原料,采用程序升温还原法制备体相WP催化剂,用质量分数0. 8%二苯并噻吩(DBT)溶液为模型化合物,考察磷化钨(WP)催化剂的加氢脱硫反应性能。采用XRD对催化剂进行表征,制备的WP催化剂移入固定床反应器前用体积分数10%H2S-Ar混合气体钝化,保证其结构未被破坏。实验表明,程序升温还原法成功制备出WP催化剂。WP催化剂具有良好的加氢性能,在WP催化剂上,二苯并噻吩主要以直接脱硫路径为主。     

Covalent Linkage of an R-ω-Transaminase to a d-Amino Acid Oxidase through Protein Splicing to Enhance Enzymatic Catalysis of Transamination

R-ω-Transaminases (RTAs) catalyse the conversion of R-configured amines [e.g., (R)-1-phenylethylamine] into the corresponding ketones (e.g., acetophenone), by transferring an amino group from an amino donor [e.g., (R)-1-phenylethylamine] onto an amino acceptor (e.g., pyruvate), resulting in a co-product (e.g., d -alanine). d -Alanine can be deaminated back to pyruvate by d -amino acid oxidase (DAAOs). Here, through in vivo subunit splicing, the N terminus of an RTA subunit (RTA^S) was specifically ligated to the C terminus of a DAAO subunit (DAAO^S) through native peptide bonds (RTA&DAAO). RTA^S is in close proximity to DAAO^S, at a molecular-scale distance. Thus the transfer of pyruvate and d -alanine between RTA and DAAO can be directional and efficient. Pyruvate→d -alanine→pyruvate cycles are efficiently formed, thus promoting the forward transamination reaction. In a different, in vitro noncovalent approach, based on coiled-coil association, the RTA^S N terminus was specifically associated with the DAAO^S C terminus (RTA#DAAO). In addition, the two mixed individual enzymes (RTA+DAAO) were also studied. RTA&DAAO has a shorter distance between the paired subunits (RTA^S–DAAO^S) than RTA#DAAO, and the number of the paired subunits is higher than in the case of RTA#DAAO, whereas RTA+DAAO cannot form the paired subunits. RTA&DAAO exhibited a transamination catalysis efficiency higher than that of RTA#DAAO and much higher than that of RTA+DAAO.     

轧机两侧刚度差的数字化分析与改善措施

轧机两侧刚度差是轧机功能精度的最重要指标之一，以弹跳方程为基础定量计算了轧机两侧刚度差对轧制稳定性的影响，主要包括调平值、调平值随轧制力的变化以及甩尾3个方面。以此为基础在某热轧线建立了轧机刚度评价体系，对轧机功能精度进行管控。同时，还分析了轧机两侧刚度差的影响因素，并在定量分析的基础上采取了一系列的改善措施，包括衬板、垫片维护、最大压靠轧制力和标定轧制力的调整等，使轧机刚度和轧制稳定性得到大幅提升。     

Dual closed-loops current controller for a 4-leg shunt APF based on repetitive control

ABSTRACT

Current repetitive control strategy for a 4-leg APF is usually of a poor speed in responding to the drastic changes in load harmonic profile. In this paper, a dual closed-loop current controller composed of a repetitive control-based outer loop and a PI-based inner loop is proposed to improve the performance of a 4-leg APF, with a focus on response speed and harmonic current compensation gain. The principle of the dual loop controller is explained in detail, and the stability of the system is analysed thoroughly. To further decrease the inherent time delay associated with the PWM strategy, a zero-sequence-voltage-based PWM strategy is proposed to solve the complexity in the implementation of 3D-SVPWM methods. By formulating the relationship between the duty ratio of the neutral leg control pulse and the zero-sequence-component of the reference voltages, the duty ratios of the other three legs can be calculated conveniently. The simulation and lab experiment results are provided to verify the correctness and effectiveness of the proposed dual closed-loop current controller and the zero-sequence-voltage-based PWM strategy.     

非调质钢50MnSiV新能源汽车电机轴的开发

非调质钢50MnSiV(/%:0. 50C,0.52S,1.20Mn,0.010P,0.025S,0.15Cr,0.10V,0.015Ti,0.015N)制造的新能源汽车电机轴,省去传统调质钢20CrMnTiH渗碳热处理和矫正精整工序,不仅可提高材料95%利用率和2天交货周期,还可以降低25%成本。50MnSiV钢抗拉强度1100 MPa、屈服强度858 MPa、冲击功48J。其静扭扭矩(4697 Nm)、疲劳寿命(±1600 Nm双向扭转12万次、±1400 Nm双向扭转27万次)较渗碳20CrMnTiH钢提高了27%和93%～140%,并且其性能指标和8万公里的路试结果均满足电机轴的技术要求。     

15CrMoG钢棒材表面缺陷机理分析和工艺改进

分析得出,棒材表面细小纵裂纹和表面裂口缺陷产生于铸坯加热之前,且与结晶器弯月面保护渣有关。利用Thermo-Calc热力学软件计算15CrMoG钢凝固相变过程,结合亚包晶钢连铸凝固特点综合分析15CrMoG钢棒材表面缺陷的产生原因和产生机理。结果表明:15CrMoG钢在固相线温度附近发生包晶反应L+δ→γ和包晶转变δ→γ,不仅导致初生坯壳生长不均匀,而且加剧P、S元素在凝固前沿的偏析。而初生坯壳不均匀是导致棒材表面缺陷根本原因。棒材表面细小纵裂纹产生于结晶器内坯壳薄弱处,经过二冷和轧制工序在夹杂物和硫偏聚处扩展长大。棒材表面裂口缺陷是初生坯壳不均匀导致结晶器内液面波动大,造成铸坯夹渣所致。通过控制[C]0.16%～0.17%、[S]≤0.005%、保护渣碱度1.2、熔点≥1200℃、粘度≥1.0Pa·s,260 mm×30mm铸坯水量150 m³/h,拉速0.5 m/min等措施,裂纹合格探伤合格率由原45%提高至98%。     

Architecture design and implementation of image based autonomous car: THUNDER-1

Autonomous driving with high velocity is a research hotspot which challenges the scientists and engineers all over the world. This paper proposes a scheme of indoor autonomous car based on ROS which combines the method of Deep Learning using Convolutional Neural Network (CNN) with statistical approach using liDAR images and achieves a robust obstacle avoidance rate in cruise mode. In addition, the design and implementation of autonomous car are also presented in detail which involves the design of Software Framework, Hector Simultaneously Localization and Mapping (Hector SLAM) by Teleoperation, Autonomous Exploration, Path Plan, Pose Estimation, Command Processing, and Data Recording (Co- collection). what’s more, the schemes of outdoor autonomous car, communication, and security are also discussed. Finally, all functional modules are integrated in nVidia Jetson TX1.