The geometry structures and electronic properties of Li_mB_n(m+n=12) clusters

The geometric structures, electronic properties, total and binding energies, harmonic frequencies, the highest occupied molecular orbital to the lowest unoccupied molecular orbital energy gaps, and the vertical ionization potential energies of small LimBn （m＋ n = 12） clusters were investigated by the density functional theory B3LYP with a 6-31 I＋G （2d, 2p） basis set. All the calculations were performed using the Gaussian09 program. For the study of the LimBn clusters, the global minimum of the B 12 cluster was chosen as the starting point and the boron atoms were gradually replaced by Li atoms. The results showed that as the number of Li atoms increased, the stability of the LimBn cluster decreased and the physical and chemical properties became more active. In addition, on average there was a large charge transfer from the Li atoms to the B atoms.     

运用三重排除法巧定线圈感应图

有关线圈在磁场中运动的电磁感应图像选择题,由于图形复杂多变,常规的数学分析法需要列大量的表达式,很难快速作答,如果运用三重排除法分析就能很快确定答案。     

B$lt;sub$gt;$lt;i$gt;n$lt;/i$gt;$lt;/sub$gt;Y($lt;i$gt;n$lt;/i$gt;=1–11)团簇的结构和电子性质

利用密度泛函理论TPSSh方法对B采用6-311+G(d), 对Y采用Lanl2dz相对论有效势基组, 研究了B_nY (n=1–11)团簇的平均结合能、二阶能量差分、最高分子占据轨道和最低空轨道之间的能级间隙、极化率和第一静态超极化率等物理化学性质. 结果表明, 随着尺寸的增大, B_nY (n=1–11)团簇的最低能量结构从平面逐步演变为立体结构. 随硼原子数n的增加, 团簇的平均结合能表明了较好的热力学稳定性, 有利于Y掺杂B团簇形成较大的块体材料.二阶能量差分表明基态B₃Y, B₅Y和B₇Y团簇较相邻团簇稳定. 能隙表明了基态B₃Y, B₅Y, B₇Y和B₉Y的化学稳定性较高. 综合说明B_nY (n=1–11)硼团簇中, 基态B₃Y, B₅Y和B₇Y具有较好的稳定性. 极化率表明基态B_nY团簇的电子结构随B原子的增加趋于紧凑, 第一静态超极化率表明基态B₅Y, B₄Y, B₃Y和B₆Y平面结构的团簇具有明显的非线性光学性质, 为寻找性能优异的非线性光学材料提供了一定的参考. 关键词： 密度泛函TPSSh方法 nY (n=1–')" href="#">B_nY (n=1– 11)团簇 几何结构 电子性质     

基于椭圆对数极坐标变换的尺度变化目标跟踪算法

针对传统对数极坐标变换局限于跟踪圆形或类圆形尺度变化目标这一问题,提出一种基于椭圆对数极坐标变换域下目标匹配的尺度变化目标跟踪算法。算法利用Mean Shift进行空间定位,确定目标的形心,通过椭圆对数极坐标变换域中目标和候选的最大相关匹配系数来确定目标的尺度参数。实验结果表明：该文算法在目标小形变和光照变化条件下,跟踪误差较小,尺度跟踪准确率更高,具有较好的鲁棒性。     

高分辨率空间相机精密热控设计及验证

基于波像差分配理论,提出了某高分辨率空间相机的热控指标.在分析相机空间外热流环境的基础上,进行了热控方案设计,并利用热分析软件进行了高低温工况下的瞬态热分析.结合热平衡试验验证了热设计的有效性和正确性.     

LED梯度折射率封装结构的蒙特卡罗模拟

针对封装胶中掺杂纳米颗粒以及采用梯度折射率的LED封装模式,用蒙特卡罗方法模拟光在胶体中的传播,分析散射系数对透光率的影响.结果表明,透光率随散射系数增大而减小.对于固定的封装层数,各层均采取最佳折射率值时,透光率可以达到最大.梯度折射率值逐渐减小的多层纳米掺杂封装结构,透光率高于传统的封装模式,能够提高LED的出光效率.     

残余奥氏体含量对马氏体高强钢滑动磨损性能的影响

对3种不同残奥(RA)含量的马氏体高强钢进行干滑动摩擦磨损试验, 研究RA含量对其磨损性能的影响. 利用扫描电镜、透射电镜、X射线衍射仪等对试验后的磨损表面及横截面显微组织进行表征. 结果表明, RA含量越高, 磨损表面越光滑, 摩擦系数和磨损率越小, 也即马氏体高强钢的耐磨性越好. 磨损引起的大应变使RA发生应变诱导马氏体相变, 导致硬度和硬化层厚度显著增大. RA含量最高的HT3试样的硬度提高了18.3%, 硬化层厚度达70μm. 相比RA含量低的试样, HT3试样表现出很好的耐磨性. 这是因为马氏体相变使硬度逐步增加, 抗裂纹萌生能力提高; 同时由于亚表面良好的韧性, 可延缓和阻止裂纹扩展, 使得点蚀和剥落不易形成. 因此, 要提高马氏体高强钢的耐磨性, 除了硬度要求外, 还需要考虑其亚表面韧性.     

Topological superconductivity in Janus monolayer transition metal dichalcogenides

The Janus monolayer transition metal dichalcogenides (TMDs) $MXY$ ($M={\rm Mo}$, W, $etc$. and $X, Y={\rm S}$, Se, $etc$.) have been successfully synthesized in recent years. The Rashba spin splitting in these compounds arises due to the breaking of out-of-plane mirror symmetry. Here we study the pairing symmetry of superconducting Janus monolayer TMDs within the weak-coupling framework near critical temperature $T_{\rm c}$, of which the Fermi surface (FS) sheets centered around both $ărGamma$ and $K (K')$ points. We find that the strong Rashba splitting produces two kinds of topological superconducting states which differ from that in its parent compounds. More specifically, at relatively high chemical potentials, we obtain a time-reversal invariant $s + f + p$-wave mixed superconducting state, which is fully gapped and topologically nontrivial, $i.e.$, a $\mathbb{Z}_2$ topological state. On the other hand, a time-reversal symmetry breaking $d + p + f$-wave superconducting state appears at lower chemical potentials. This state possess a large Chern number $|C|=6$ at appropriate pairing strength, demonstrating its nontrivial band topology. Our results suggest the Janus monolayer TMDs to be a promising candidate for the intrinsic helical and chiral topological superconductors.