Atomic-scale simulations for lithium dendrite growth driven by strain gradient

Dendrite formation is a major obstacle, e.g., capacity loss and short circuit, to the next-generation high-energy-density lithium (Li)-metal batteries. The development of successful Li dendrite mitigation strategies is impeded by an insufficient understanding in Li dendrite growth mechanisms. The Li-plating-induced internal stress in Li-metal and its effects on dendrite growth have been widely studied, but the underlying microcosmic mechanism is elusive. In the present study, the role of the plating-induced stress in dendrite formation is analyzed through first-principles calculations and ab initio molecular dynamic (AIMD) simulations. It is shown that the deposited Li forms a stable atomic nanofilm structure on the copper (Cu) substrate, and the adsorption energy of Li atoms increases from the Li-Cu interface to the deposited Li surface, leading to more aggregated Li atoms at the interface. Compared with the pristine Li-metal, the deposited Li in the early stage becomes compacted and suffers the in-plane compressive stress. Interestingly, there is a giant strain gradient distribution from the Li-Cu interface to the deposited Li surface, making the deposited atoms adjacent to the Cu surface tend to press upwards with perturbation and causing the dendrite growth. This provides an insight into the atomicscale origin of Li dendrite growth, and may be useful for suppressing the Li dendrite in Li-metal-based rechargeable batteries.     

无序激光晶体及其超快激光研究进展

激光是受激辐射的光放大,所辐射的波长取决于增益介质中关键电子的能级结构,特别是其最外层电子的状态决定了可能实现的激光特性。激光发展60年来,激光晶体作为激光的重要激活材料,推动了激光技术的进步和普及,是一个研究历史长而又异常活跃的研究领域。当前,超短超强脉冲激光在加工、医疗、国防等关系国计民生的领域有重要需求,适合超短超强激光的激光晶体成为了本领域的研究热点,其关键是揭示最外层电子的影响因素及设计和生长具有宽波段发射性能的激光晶体。本论文从探讨影响激活离子光谱性能的关键因素出发,综述了以本课题组十余年研究的10余种无序激光晶体为主要部分的研究结果和进展,涉及晶体生长、晶体物理、激光器件设计及应用等工作,包含了高级、中级和低级对称性晶体及其获得的最短脉冲激光结果,希望能为本领域的后续研究提供一定的参考和借鉴。     

Springer basic sets and modular Springer correspondence for classical types

We define the notion of basic set data for finite groups (building on the notion of basic set, but including an order on the irreducible characters as part of the structure), and we prove that the Springer correspondence provides basic set data for Weyl groups. Then we use this to determine explicitly the modular Springer correspondence for classical types (defined over a base field of odd characteristic $p$, and with coefficients in a field of odd characteristic $?\ne p$): the modular case is obtained as a restriction of the ordinary case to a basic set. In order to do so, we compare the order on bipartitions introduced by Dipper and James with the order induced by the Springer correspondence. We provide a quick proof, by sorting characters according to the dimension of the corresponding Springer fibre, an invariant which is directly computable from symbols.     

Azobenzene‐Functionalized Cage Silsesquioxanes as Inorganic–Organic Hybrid,Photoresponsive, Nanoscale,Building Blocks

Mono‐ and octa‐azobenzene‐functionalized cage silsesquioxanes were easily synthesized by the reaction of 4‐bromoazobenzene with monovinyl‐substituted octasilsesquioxane and cubic octavinylsilsesquioxane through the Heck coupling reaction. Excited‐state energies obtained from time‐dependent density functional theory (TDDFT) and the CAM‐B3LYP functional correlate very well with experimental trans–cis photoisomerization results from UV/Vis spectroscopy. These azobenzene‐functionalized cages exhibit good thermal stability and are fluorescent with maximum emission at approximately 400 nm, making them potential materials for blue‐light emission.     

Fused vs. spiro: Kinetic,not thermodynamic preference may direct the reaction of α-carbonyl oxonium ylides

Rh(II)-catalyzed decomposition of certain cyclic α-diazocarbonyl compounds in the presence of cyclic ethers has been shown to give bicyclic ring expansion products. These are thought to arise from a [1,4]-alkyl shift toward the carbonyl oxygen atom and are in contrast with the recently observed spirocyclic products of a Stevens-type [1,2]-alkyl shift within the postulated oxonium ylide intermediate. Quantum chemical calculations performed at the B3LYP/6-31G* level of theory showed that the former reaction pathway (toward fused bicycles) is kinetically preferred.     

The number of powers of 2 in a representation of large even integers II

It is proved that for any integerk≥ 54 000, there isN _k >0 depending onk only such that every even integer ≥N _k is a sum of two odd prime numbers andk powers of 2. Project partially supported by RGC Research Grant (No.HKU 7122/97P) and Post-Doctoral Fellowship of the University of Hong Kong.     

LD泵浦Nd∶LuVO4/Cr4+∶YAG被动调Q激光器

采用大功率半导体激光器端面泵浦Nd∶LuVO4晶体，利用Cr4+∶YAG晶体作为可饱和吸收元件，实现了1.06 μm激光的被动调Q运转.在泵浦功率为19.1 W时，获得最高平均输出功率为4.58 W，脉冲宽度为84 ns，单脉冲能量为36.6 μJ以及峰值功率为436.2 W的激光脉冲.     

图有分数因子的度条件

本文研究了图有分数因子的度条件,得到了下面的结果：令k(?)1是一个整数,G是一个连通的n阶图,n(?)4k-3且最小度δ(G)(?)k,若对于每一对不相邻的顶点u,v∈V(G)都有max{d_G(u),d_G(v)}(?)n/2,则G有分数k-因子．并指出该结果在一定意义上是最好可能的。     

BaWO_4晶体的拉曼光谱分析

BaWO4晶体是一种很有应用前景的喇曼激光晶体。本文根据对称性分类,用商群理论分析了Ba-WO4晶体的喇曼光谱。一个原胞中含有两个BaWO4分子,理论上有36个振动膜,和我们用群论计算得数目一致。其中有18支拉曼活性光学膜。我们测得了10支拉曼峰,并对测得的各个配置的拉曼峰进行了指认,其中X(ZZ)X配置921cm-1处的喇曼峰强度最强,线宽较窄,对于作为喇曼激光晶体来讲是很有益的。     

Single-mode rib polymer waveguides and electro-optic polymer waveguide switches

Mode-matching and effective index methods are used to analyze single-mode operation of optical rib polymer waveguides. Their single-mode waveguiding conditions are determined. Single-mode rib waveguides fabricated from guest–host polyetherketone are presented. The estimated propagation loss of straight rib-waveguides is 0.7 dB/cm at 1.55 μm. Furthermore, by using the mode field-transfer matrix method, 2×2 and 4×4 polymer Mach–Zehnder interference switch operating at 1.55 μm wavelength has been designed based on optical multi-mode interference.