摘要：在红外波段模拟章鱼皮肤变色功能的柔性材料在智能热管理、柔性显示和自适应伪装等领域具有广泛的应用前景.本文利用液态金属颗粒和柔性弹性体模拟头足纲变色动物皮肤中的色素细胞和真皮基质,开发了一种通过机械变形调控红外反射/辐射性能的“全柔性红外变色皮肤”.在等轴拉伸作用下,液态金属颗粒会伴随弹性体基体发生延展/收缩变形,从而改变其外形、尺寸和表面形貌,实现对材料红外反射率和发射率的动态调控,以达到动态伪装效果.实验证明,集成了液态金属颗粒/弹性体复合材料的柔性多步态机器人能够在运动过程中迅速改变体色,并且在高次数循环中展现出优异的机械稳定性.本研究为未来设计新型红外发射率动态可调材料与器件提供了材料和物理基础.

摘要：The systematical studies of Zr-based BMGs were summarized in terms of their compositional design and their structural characterization. In particular, several key issues of BMG materials were focused, including initial alloy design and subsequent composition optimization, solidification microstructure characterization and crystallization process specification. The results show that a compositional designing approach is successfully developed and, through extensive microstructure characterization using transmission electron microscopy, several new crystalline phases are discovered in these newly developed Zr-based BMG alloys. Crystallization behavior of Zr-based BMG is also determined based on the microstructure analysis.

摘要：铜基氧化物表面的氧化物种可以增强CO_(2)吸附,降低含氧中间体的结合能,从而提高电还原CO_(2)的一步还原产物的产率.鉴于此,在还原过程中,Cu_(2)O上的残留氧通过Sn^(2+)稳定,并且残留氧的保留通过原位拉曼光谱(Cu–O_(ads))得到了证实.同时,原位拉曼光谱和密度泛函理论计算结果证明,由于残留氧的存在,一氧化碳中间体在SnO/Cu_(2)O催化剂的吸附能比Cu_(2)O催化剂明显降低.这使得其在-0.8 V (相对于可逆氢电极)的电位下获得高达97.5%的法拉第效率.铜基氧化物催化剂的氧稳定策略对设计高性能电还原CO_(2)催化剂具有指导意义.

摘要：催化剂的尺寸在降低到原子尺度时表现出显著的性能提升,如原子利用率提高、配位不饱和度增强和比表面积增加.为了实现高效催化,针对原子分布和电子行为的精细设计与调控至关重要,由此引入了“极限结构”这一概念.极限结构涵盖了单个原子、双原子,单个原子链/层和亚纳米团簇等结构.围绕这些极限结构在原子和电子尺度上研究催化剂,可以更深入地理解其本征性质并为未来的催化剂设计提供新的方向.本文总结了极限结构在催化应用中的最新进展和研究方向,重点讨论单原子、亚纳米团簇和电子尺度的反应动力学.特别关注极限结构的优化策略,如金属-支撑作用增强、缺陷和电子结构调控.探讨了各种极限结构之间的相互关系,强调了每个结构的特性.最后,展望了极限结构在催化领域的未来发展趋势.

摘要：Electromagnetic forming is one of the high-rate forming methods that can be extensively used to form and join axisymmetric metal sheet and tube. Tendency of homogeneous radial deformation during electromagnetic compression of aluminium tube was investigated through the design optimization method based on sequential coupling numerical simulation and experiments. The results show that the tendency depends on the length ratio of tube to coil (R), which has a critical value (Rc) corresponding to the relatively homogeneous radial deformation along axial direction. The tube length relative to Rc is insensitive to the discharge voltage. When R is greater than Rc, the deformed tube presents horn shape and the shorter coil makes for local deformation. If R is less than Rc, the deformed tube presents drum shape and the longer coil contributes to larger deformation at tube end. Rc increases with coli length and could approach to 1; inversely, it could approach to 0. These results indicate the design optimization method based on the sequential coupling numerical simulation is feasible, which can be used to realize the controllable and precise deformation of metal tube.

摘要：The layer structured zirconium phosphate(Zr P) can be intercalated with atoms, molecules, small organic groups and even polymers. The structures and properties of the Zr P intercalation compounds can be deliberately tuned, leading to promising potential applications in many fields. This article provides a brief review on the experimental results of the Zr P intercalation compounds, with the focus on the polymer/a-zirconium phosphate (α-Zr P) nano-composites. The computer simulations of the Zr P intercalation compounds at the atomic level play a significant role in designing and understanding the properties of Zr P, and in the promotion of the applications of compounds.

摘要：MoS_(2)is a promising electrocatalyst for hydrogen evolution reaction and a good candidate for cocatalyst to enhance the photoelectrochemical(PEC)performance of Si-based photoelectrode in aqueous *** main challenge lies in the optimization of the microstructure of MoS_(2),to improve its catalytic activity and to construct a mechanically and chemically stable cocatalyst/Si *** this paper,a highly-ordered mesoporous MoS_(2)was synthesized and decorated onto a TiO_(2)protected p-silicon *** additional TiO_(2)necking was introduced to strengthen the bonding between the MoS_(2)particles and the TiO_(2)*** meso-MoS_(2)/TiO_(2)/p-Si hybrid photocathode exhibited significantly enhanced PEC performance,where an onset potential of+0.06 V(versus RHE)and a current density of-1.8 mA/cm^(2)at 0 V(versus RHE)with a Faradaic efficiency close to 100%was achieved in 0.5 mol/L H_(2)SO_(4).Additionally,this meso-MoS_(2)/TiO_(2)/p-Si photocathode showed an excellent PEC ability and durability in alkaline *** paper provides a promising strategy to enhance and protect the photocathode through high-performance surface cocatalysts.

摘要：A new quenching-partitioning-tempering(Q-P-T) process was designed based on the recently developed quenching and partitioning(Q & P) treatment by Speer et *** orientation relationships(ORs) of martensite(α) in Q-P-T steel tempered under different conditions were investigated using a scanning electron microscope with an electron backscatter diffraction *** morphology and crystallography of lath martensite within a packet were *** exhibiting an initial austenite(α) grain in the orientation image map of different samples were chosen and their {111}α pole figures were *** pole figures were fitted according to the ideal Kurdjumov-Sachs(K-S) and Nishiyama-Wasserman(N-W) ORs,which were calculated using Matlab and with a γ crystal-oriented(001)γ[100]γ as the reference *** martensite OR in the Q-P-T steel follows both the K-S and N-W ORs;however,the K-S OR is *** characteristic does not change in the samples further tempered at different temperatures.

摘要：在薄壁管中引入预折叠图案已被证明可以有效增强其能量吸收能力.然而,仅仅靠预折叠图案设计所提高的能量吸收能力已经达到天花板,难以进一步提高。本研究为解决这一问题,提供了一种全新的技术路线.我们首先设计了一种结构均匀的预折叠薄壁管作为参考结构.然后,我们对参考结构的壁厚进行非均匀化设计。在保持薄壁管总质量不变的情况下,加厚了塑性变形相对较大的局部区域的壁厚,同时变薄了塑性变形相对较小的局部区域的壁厚。这种非均匀设计方式使薄壁管的整体变形更加协调,不仅显著提高了结构的比吸能(SEA),而且降低了峰值力(PCF),实现了SEA和PCF的更优组合.

摘要：Computational thermodynamics,known as CALPHAD method when dawned in 1950s,aimed at coupling phase diagrams with thermochemistry by computational *** eventually evolves toward kinetic simulations integrated with thermodynamic calculations,i.e.,computational kinetics,including diffusion-controlled phase transformation,precipitation simulation,and phasefield *** the meantime,thermodynamic,mobility,and physical property databases for multi-component and multi-phase materials,served as basic knowledge for materials design,are critically evaluated by CALPHAD approach combining key experiments,first-principles calculations,statistic methods,and empirical *** combination of these computational techniques with their conjugated databases makes it possible to simulate phase transformations and predict the microstructure evolution in real materials in a foreseeable *** links to microand macro-scale simulations lead to a multi-scale computational framework,and aid the search for the quantitativerelations among chemistry,process,microstructures,and materials properties in order to accelerate materials development and *** is a new route of materials and process design pursued by Integrated Computational materials engineering(ICME)and materials Genome Initiative(MGI).This article presents a review on the basic theories and applications,the state of the art and perspective of computational thermodynamics and kinetics.