LiNi0.8 Co0.15 A10.05 O2正极材料的表面包覆改性研究

LiNi_0.8 Co_0.15 A1_0.05 O₂正极材料具有容量高、价格低等优点,被认为是最具发展前景的锂离子电池正极材料之一.但LiNi 0.8Co 0.15A1 0.05O₂材料本身存在充放电过程中容量衰减较快、倍率性能差和储存性能差等缺陷,影响了其进一步发展.本文以 LiNi 0.8Co 0.15A1 0.05O₂为研究对象,采用共沉淀法制备氢氧化物前驱体,在前驱体的表面包覆一层Ni 1/3Co 1/3 Mn 1/3(OH)₂,制备成具有核壳结构的正极材料.通过XRD、SEM、EDX、电化学测试等分析手段,系统地研究了其结构、形貌以及电化学性能.分析表明:包覆改性后,LiNi 0.8Co 0.15Al 0.05O₂正极材料在0.1、0.2、0.5、1 C倍率下,材料的首次充放电比容量分别为167.6,160.1,0.4,8.5 mAhg -1.由0.1到1 C,包覆改性前后的正极材料的放电比容量衰减量由34.7 mAhg -1降为29.1 mAhg -1,容量衰减百分比由22.1%降低到17.4%.综合性能分析认为,包覆改性后电化学性能有一定的改善.     

爆破成井装药结构与中心孔药量的模拟与实践

为研究小断面急倾斜天井采用VCR法一次爆破成井的中心孔药量问题,采用ANSYS/LS-DYNA对成井过程进行了数值模拟。根据C·W利文斯顿球状药包理论,采用5孔布置、单孔中心掏槽、同分层中心孔与边孔不等高装药模拟成井过程。通过观察爆炸作用下岩石塑性应变场的变化,确定该方法能够很好地解决岩石夹制性问题。进而,改变中心孔药量进行多组模拟,发现不同中心孔药量与井壁上不同位置的单元应力对岩石抗拉强度的二阶矩的值呈非线性关系,并由此总结出中心孔药量的确定方法。工程实例验证了采用不等高装药与使用合理的药量能够达到理想的成井效果。     

基于AEM法的爆破拆除倒塌过程的数值模拟

利用应用单元法(AEM法),以含填充墙的某多层框架结构定向爆破拆除为例,进行倒塌过程的数值模拟。结果表明:在框架结构爆破切口形成后,结构由于重力作用逐渐沿横向偏转,并在横向最外侧的一排柱上形成活动铰,产生翻转倒塌,模拟结果与实际倒塌结果基本相符。在倒塌的过程中,结构爆破切口的横向很快进入大变形倒塌,同时引起横向隔墙的平面失去稳定而倒塌。落地的倒塌碎块,在纵向产生150kN左右的峰值冲击力,在横向产生30~50kN的峰值冲击力。基于仿真结果,可以定量设置防护措施,避免安全隐患。     

Predicting whether a material is ductile or brittle

In this paper we discuss the various models that have been used to predict whether a material will tend to be ductile or brittle. The most widely used is the Pugh ratio, $G/K$, but we also examine the Cauchy pressure as defined by Pettifor, a combined criterion proposed by Niu, the Rice and Thomson model, the Rice model, and the Zhou-Carlsson-Thomson model. We argue that no simple model that works on the basis of simple relations of bulk polycrystalline properties can represent the failure mode of different materials, particularly where geometric effects occur, such as small sample sizes. Instead the processes of flow and fracture must be considered in detail for each material structure, in particular the effects of crystal structure on these processes.     

Enhanced Thermal Conductivity of 5A Molecular Sieve with BNs Segregated Structures

5A molecular sieves have been widely used as adsorbents in cryogenic distillation for hydrogen isotope separation in fusion reactor engineering, but its low thermal conductivity is detrimental to the process stability. Improving the thermal conductivity of 5A molecular sieves is one of the most important goals for high‐performance devices. Here, firm segregated structures with boron nitride sheets (BNs) are constructed around 5A molecular sieve particles. SEM results show 30 µm BNs tend to form the better networks in comparison with that of 0.12 µm BNs at 40 wt% loadings. It is further verified that BNs with the larger size promote the thermal conductivity. Meanwhile, the thermal conductivity increases with the increasing amounts of BNs. XRD and specific surface area results indicate that the sintering and the addition of BNs exert negligible effects on the structure of 5A molecular sieve. These results indirectly show 5A molecular sieve with BNs segregated structures is very likely to be used for the application of hydrogen isotopic separation. Besides, this work provides new insight into the construction of segregated structure in inorganic porous materials.

     

ZIF‐8/ZIF‐67‐Derived Co‐Nx‐Embedded 1D Porous Carbon Nanofibers with Graphitic Carbon‐Encased Co Nanoparticles as an Efficient Bifunctional Electrocatalyst

Herein, an approach is reported for fabrication of Co‐N_x‐embedded 1D porous carbon nanofibers (CNFs) with graphitic carbon‐encased Co nanoparticles originated from metal–organic frameworks (MOFs), which is further explored as a bifunctional electrocatalyst for both oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Electrochemical results reveal that the electrocatalyst prepared by pyrolysis at 1000 °C (CoNC‐CNF‐1000) exhibits excellent catalytic activity toward ORR that favors the four‐electron ORR process and outstanding long‐term stability with 86% current retention after 40 000 s. Meanwhile, it also shows superior electrocatalytic activity toward OER, reaching a lower potential of 1.68 V at 10 mA cm^?2 and a potential gap of 0.88 V between the OER potential (at 10 mA cm^?2) and the ORR half‐wave potential. The ORR and OER performance of CoNC‐CNF‐1000 have outperformed commercial Pt/C and most nonprecious‐metal catalysts reported to date. The remarkable ORR and OER catalytic performance can be mainly attributable to the unique 1D structure, such as higher graphitization degree beneficial for electronic mobility, hierarchical porosity facilitating the mass transport, and highly dispersed CoN_xC active sites functionalized carbon framework. This strategy will shed light on the development of other MOF‐based carbon nanofibers for energy storage and electrochemical devices.     

Crystal structure of Cr4AlB4: A new MAB phase compound discovered in Cr-Al-B system

In this communication, the crystal structure of Cr_4AlB_4, a new MAB phase compound(where M is a transition metal, A is Al or Si, B is boron) discovered in Cr-Al-B system is reported. This new MAB phase was synthesized from a mixture of CrB and Al powders at 1000?C and its crystal structure was determined by a combination of X-ray diffraction, first-principles calculations and energy dispersive X-ray spectroscopy(EDS). Cr_4AlB_4 crystallizes in an orthorhombic structure with Immm space group. The lattice constants are a = 2.9343(6) ?, b = 18.8911(0) ?, c = 2.9733(7) ?, and the atomic positions are Cr1 at 4 g(0, 0.2936(5),0), Cr2 at 4 h(0.5, 0.5859(7), 0), Al at 2 b(0, 0.5, 0.5), B1 at 4 h(0, 0.3839(8), 0.5) and B2 at 4 g(0.5, 0.6646(2),0.5).     

Prediction of stable high-pressure structures of tantalum nitride TaN2

Structure searches based on a combination of first-principles calculations and a particle swarm optimization technique unravel two new stable high-pressure structures (C2/m and Cmce) for TaN₂. The structural features, mechanical properties, formation enthalpies, electronic structure, and phase diagram of TaN₂ are fully investigated. Being mechanically and dynamically stable, the two phases could be made metastable experimentally at ambient conditions.     

超空泡射弹尾拍运动流固耦合动力学响应研究

基于ANSYS软件和CFX软件的双向隐式交错迭代法对超空泡射弹尾拍运动过程中的流固耦合响应进行了研究,结构响应仿真采用有限元法、流场仿真采用分相流模型和SST湍流模型,重点比较分析了流固耦合作用对射弹运动姿态和流体动力的影响,给出了尾拍过程中弹体应力的变化规律.