Interface and defects engineering for multilayer laser coatings

High-reflective multilayer laser coatings are widely used in advanced optical systems from high power laser facilities to high precision metrology systems. However, the real interface quality and defects will significantly affect absorption/scattering losses and laser induced damage thresholds of multilayer coatings. With the recent advances in the control of coating design and deposition processes, these coating properties can be significantly improved when properly engineered the interface and defects. This paper reviews the recent progress in the physics of laser damage, optical losses and environmental stability involved in multilayer reflective coatings for high power nanosecond near-infrared lasers. We first provide an overview of the layer growth mechanisms, ways to control the microstructures and reduce layer roughness, as well as the nature of defects which are critical to the optical loss and laser induced damage. Then an overview of interface engineering based on the design of coating structure and the regulation of deposition materials reveals their ability to improve the laser induced damage threshold, reduce the backscattering, and realize the desirable properties of environmental stability and exceptional multifunctionality. Moreover, we describe the recent progress in the laser damage and scattering mechanism of nodule defects and give the approaches to suppress the defect-induced damage and scattering of the multilayer laser coatings. Finally, the present challenges and limitations of high-performance multilayer laser coatings are highlighted, along with the comments on likely trends in future.     

页岩气低伤害超临界CO2凝胶压裂液研究

针对常规水压裂液会对页岩造成伤害，容易产生水锁，不易返排，还造成水资源消耗和污染环境等问题，制备了低伤害二氧化碳凝胶压裂液。将自备的F2EU和F4EU增稠剂加入到超临界CO₂基液中，探究两种增稠剂的加入量对CO₂凝胶压裂液黏度的影响，综合考虑成本与效果，优选了2%的F4EU增稠剂，可将CO₂的黏度增至15.4 mPa·s。研究了温度、压力以及剪切速率对凝胶压裂液黏度的影响。实验结果表明，随着温度升高黏度总体降低，但中间出现一个短暂升高阶段；随着压力上升压裂液黏度增加；随着剪切速率的增加压裂液黏度下降，属于一种典型的剪切变稀的假塑性流体。F4EU超临界CO₂凝胶压裂液的平均伤害率为1.39%，远远小于常规压裂液对岩芯的伤害率。实验表明，F4EU超临界CO₂凝胶压裂液在页岩气压裂开采中具有良好的应用前景。     

The energy-critical nonlinear wave equation with an inverse-square potential

We study the energy-critical nonlinear wave equation in the presence of an inverse-square potential in dimensions three and four. In the defocussing case, we prove that arbitrary initial data in the energy space lead to global solutions that scatter. In the focusing case, we prove scattering below the ground state threshold.     

Revealing and comparing different excited-state intramolecular proton transfer processes for 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-propenone and 3-(4-dimethylamino-phenyl)-1-(4-fluoro-2-hydroxy-phenyl)-3-hydroxy-propenon

Two novel 2′-hydroxychalcone derivatives (i.e., M1 and M2) are explored in this work. We mainly focus on investigating the effects of photoexcitation on hydrogen bonds and on the excited-state intramolecular proton transfer (ESIPT) process. On the basis of calculations of electrostatic potential surface and intramolecular interactions, we verify the formation of hydrogen bond O1 H2···O3 in both S₀ and S₁ states. Exploring the ultraviolet–visible spectra in the liquid phase, our simulated results reappear in the experimental phenomenon. Analyzing molecular geometry and infrared stretching vibrational spectra, we confirm O1 H2···O3 is strengthened for both M1 and M2 in the S₁ state. We further confirm that charge redistribution facilitates ESIPT tendency. Constructing potential energy curves, we find the ultrafast ESIPT behavior for M1, which is because of the deficiency of side hydroxyl moiety comparing with M2. This work makes a reasonable affiliation of the ESIPT mechanism for M1 and M2. We wish this paper could facilitate understanding these two novel systems and promote their applications.     

La2分子结构与基态分子势能函数

用相对论有效原子实势，在密度泛函理论(DFT)和组态相关理论(QCISD)水平上优化计算了La2分子的结构．根据原子分子反应静力学原理，导出La2分子可能的电子状态和离解极限，用DFT中的B3LYP方法计算了基态X1∑g^ 势能曲线，拟合得到Murrell-Sorbie解析势能函数，并首次计算得到基态X1∑g^ 的谐振频率、热力学性质、力学与光谱数据。     

干燥工艺对稻谷发芽率影响的研究

利用薄层干燥试验台，采用二次回归正交组合设计试验对辽宁省稻谷主要品种942进行研究。分析了热风温度、表现风速、初始水分、干燥时间对稻谷发芽率损失影响的规律，建立了稻谷发芽率损失回归方程，在干燥时应采用低温干燥，以保证其发芽率。利用贡献率法确定各因素在二次非线性模型中的主次关系为热风温度、初始水分、表现风速、干燥时间，为进行辽宁省稻谷深床干燥研究提供了理论依据。     

电负性及其在无机化学上的应用

从用电负性来衡量元素在化合物分子中吸引电子的能力的必要性出发，阐述电负性的概念以及阿莱－罗周（Ａｌｌｒｅｄ－Ｒｏｃｈｏｗ）计算电负性标的方法，重点论述了电负性在无机化学上的某些应用．     

匀速运动的电偶极子的电场和磁场分布

本文通过对电偶极子电磁势的分析和相对论下电磁场在不同惯性系中的协变分布，计算了作匀速直线运动的电偶极子的电场和磁场的空间分布．     

镧系金属一氢化物有效芯势研究

采用Cundari和Stevens等推导的有效芯势对镧系金属一氢化物进行了理论计算，以探讨镧系金属元素与氢的相互作用。结果表明所有镧系金属一氢化物基态时理论上是稳定的，最稳定的是SmH,最不稳定的是DyH;键长计算结果显示，基态时镧系金属一招兵买马花物有独立王国 收缩现象发生；红外振动频率理论计算值与实验结果一致；成键轨道中，金属原子轨道的贡献主要是s轨道和d轨道：从CeH至ErH(GdH)例外）随着外层电子的增加s轨道成分逐渐增大d轨道成分逐渐减小；从TmH和LuH（包括GdH)，成键轨道中金属原子轨道的贡献主要是d轨道，约为90％；约大多数镧系金属一氧化物的成键轨道中金属原子轨道f成分小于1％。     

B_2分子X~3Σ_g~-和A~3Σ_u~-态的势能函数

使用SAC/SAC-CI方法,利用D95(d),6-311g**以及cc-PVTZ等基组,对B2分子的基态(X3Σg-)和第一激发态(A3Σu-)的平衡结构和谐振频率进行了优化计算.通过对3个基组的计算结果的比较,得出了D95(d)基组为3个基组中的最优基组的结论;使用D95(d)基组,利用SAC的GSUM(Group Sum of Operators)方法对基态(X3Σg-),SAC-CI的GSUM方法对激发态(A3Σu-)进行单点能扫描计算,用正规方程组拟合Murrell-Sorbie函数,得到了相应电子态的完整势能函数;从得到的势能函数计算了与基态(X3Σg-)和第一激发态(A3Σu-)相对应的光谱常数(Be,αe,ωe和ωeχe),结果与实验数据吻合.