有序介孔材料: 历史、 现状与发展趋势

有序介孔材料是指孔径在2~50 nm之间的多孔材料, 是一类具有均匀孔径、 高有序度纳米孔道和高比表面积的新材料. 在过去30年里, 有序介孔材料的研究取得了长足的进步, 在可控合成、 结构设计和调控及功能化等方面形成了系统的理论. 同时, 其应用领域也不断被拓展, 包括能源存储与转化、 催化、 生物医药和传感等方面. 本文首先回顾了有序介孔材料的发展历史, 简要介绍发展过程中“里程碑式”的研究工作; 然后根据构效关系总结了其在不同领域应用的最新进展; 最后讨论了有序介孔材料领域进一步发展所面临的挑战与机遇, 并对未来前景进行了展望.     

三维大孔/介孔碳-碳化钛复合材料用于无枝晶锂金属负极

金属锂具有超高的理论容量(3860 mAh·g^-1)和低氧化还原电位(-3.04 V vs.标准氢电极),是极具吸引力的下一代高能量密度电池的负极材料。然而,循环过程中的体积膨胀、锂枝晶生长和“死锂”等问题严重的限制了其实际应用。合理设计三维骨架调控金属锂的成核行为是抑制锂枝晶生长的有效策略。本文中,我们发展了一种“软硬双模板”的方法合成了兼具大孔和介孔的三维碳-碳化钛(Three-dimensional macro-/mesoporous C-TiC,表示为3DMM-C-TiC)复合材料。多级孔道为金属锂的沉积提供了足够的空间,缓冲充放电中巨大的体积变化。此外,TiC的引入显著增强多孔骨架的导电性,改善锂金属的成核行为,促进金属锂的均匀成核和沉积,抑制锂枝晶生长。3DMM-C-TiC||Li电池测试表明,在循环300圈以后,库伦效率仍保持在98%以上。此外,所得材料与LiFePO₄ (LFP)组成的全电池也表现出优异的倍率和循环性能。本工作为无枝晶锂金属负极的设计提供了新的思路。     

一种改进混合迎风格式在翼型流场激波捕捉中的应用

波阻是飞行器超音速飞行的关键设计因素,精确捕捉激波在流场中的位置,是数值模拟含激波流场和精确计算波阻的一个重要研究内容.本文基于网格节点有限体积空间离散方法,采用AUSM格式与FVS格式的混合格式(MAUSM方法)计算对流通量,从而抑制在数值模拟流场出现的激波处振荡和过冲现象,确保AUSM准确捕获接触间断的特性和FVS格式捕捉激波的能力.本文使用MAUSM方法分别计算了在跨声速和超声速条件下的NACA0012翼型流场,并与中心差分格式的计算结果进行比较.结果表明,对于存在激波的翼型流场,MAUSM方法是有效的.     

Molecular dynamics studies on the local disordering of Σ3 and Σ11 grain boundaries in aluminium bicrystal

Molecular dynamics (MD) simulations using Morse interaction potential are performed in studies of [110] symmetrical tilt grain boundary (GB) structures with mis-orientation angles 50.5°(Σ11), 129.5°(Σ11), 70.5°(Σ3) and 109.5°(Σ3) at various tempratures. The GB structures are found to start local disordering at about 0.5T _m (T _m is the melting point of aluminium) for 50.5°(Σ11), 0.32T _m for 129.5° (Σ11) and 0.38T _m for 70.5°(Σ3), respectively. These results agree with conclusions deduced from the anelastic measurements. But, for twin-boundary structure 109.5°(Σ3), this disordering has not been found even when temperature increases up to 0.9T _m . The project supported by the National Natural Science Foundation of China and Laboratory for Non-linear Mechanics of Continuous Media, Institute of Mechanics, Academia Sinica.     

Brownian dynamics simulation of rodlike polymers under shear flow

The highly nonlinear behaviors of rodlike polymers in nematic phase under shear flow are studied with Brownian dynamics simulation. The LebwohlLasher nematogen model is taken as the prototype of the simulation and the mean-field approximation is avoided. By considering the nearest-neighbor intermolecular interaction, the spatial orientational correlation is introduced and therefore the spatial inhomogeneity such as the multiple-domain effect can automatically be incorporated. The transient order parameters, birefringence axes, shear stresses and first normal stress differences are calculated. The important finding of this work is that the director wagging and damped oscillation share the same molecular origin as director tumbling. The only difference is that the system is split into micro-domains which tumble with different phase angles in the wagging and damped oscillation regimes. The tumbling of the director of the whole system is suppressed due to the spatial inhomogeneity of director fields and then the damped oscillation of macroscopic stresses becomes predominant. The negative first normal stress difference exists at moderate shear rates, where both elasticity and viscosity play important role. Our simulation results including some dimensionless scaling parameters find good agreement with experimental observations in literature.     

SYSTEM OF VECTOR QUASI-EQUILIBRIUM PROBLEMS AND ITS APPLICATIONS

A new system of vector quasi-equilibrium problems is introduced and its existence of solution is proved. As applications, some existence results of weak Pareto equilibrium for both constrained multicriteria games and multicriteria games without constrained correspondences are also shown.     

液晶高弹体的光致变形与弯曲行为研究

本文研究了一类光敏液晶高弹体在紫外光照射下的变形和弯曲行为。在分析了近年发现的光敏液晶高弹体中光致变形的机理和规律的基础上，给出了该材料一维变形本构关系，研究其变形行为，进而利用铁木辛科双金属片弯曲的思想建立了梁的光致弯曲模型。     

Inertial manifolds for nonautomous infinite dimensional dynamical systems

In this paper, the long time behavior of nonautonomous infinite dimensional dynamical systems is discussed. Under the spectral gap condition, It is proved that there exist inertial manifolds for a class of nonautonomous evolution equations. Project supported by the National Natural Science Foundation of China     

Study on the “Tin-Ene” reaction of α-bromoacetophenone and metallic tin with aldehydes

β-hydroxy ketones were obtained in good yields by the “tin-ene” reactions of α-bromoacetophenone and metallic tin with aldehydes.     

Comments on stabilizing layered manganese oxide electrodes for Li batteries

An electrochemical study of structurally-integrated xLi₂MnO₃•(1 −x)LiMn_0.5Ni_0.5O₂ ‘composite’ materials has been undertaken to investigate the stability of electrochemically-activated electrodes at the Li₂MnO₃-rich end of the Li₂MnO₃–LiMn_0.5Ni_0.5O₂ tie-line, i.e., for 0.7 ≤ x ≤ 0.95. Excellent performance was observed for x = 0.7 in lithium half-cells; comparable to activated electrodes that have significantly lower values of x and are traditionally the preferred materials of choice. Electrodes with higher manganese content (x ≥ 0.8) showed significantly reduced performance. Implications for stabilizing low-cost, manganese-rich, layered lithium-metal-oxide electrode materials are discussed.