Optical high-resolution spectroscopic study of Tm^(3+) crystal-field levels in LiLuF_4

We report on the fast high-resohition study of LiLuF4：Tm3＋. The accurate energy level scheme of Tm3＋ in the LiLuF4 matrix was obtained for the 3H6.5.4, 3F4.3.2, and ^1G4 multiplets. It was shown that electric-dipole transitions dominate for all the studied multiplets except the 3H5 one.

J-mixing Effect of the Crystal-field on the Spectroscopic Characteristics of Rare-earth Doped Laser Crystals

By using the re-derived formulae for both line-strength of electricdipole transition and simple J-mixing coefficients within the 4f shell in a rare-earthion, the spectroscopic properties of the luminescent material Eu3+ =Y2O3 and laser crystals Tb3+:=YAlO3 and Nd3+:YVO4, are investigated in detail. On the basis of three fitting Ω parameters and the effective reduced matrix elements, the spectral linestrengths, spontaneous emission probabilities, fluorescent branching ratios and lifetimeare calculated. The better agreement between theoretical results and experimental dataindicates the importance of J-mixing in the spectroscopic study of laser crystals.

Evidence of Decisive Effect of Crystal-field Splitting in Spin-State Transition

Based on the first-principle calculations for 3D Hofmann-like spin-crossover （SCO） compound [Fe（C4H4N2）{Pt（CN）4}], the discrepancy of transition mechanism is clarified with quantitatively distinguishable evidence of second order phase transition. It shows that the stretch around 0.2 ？ of Fe-N bond length leads to the continuous structure expansion, as the energy splitting ΔEHL between low-spin and high-spin states reduces from 2.554 2 eV to -0.327 8 eV, and the crystal-field splitting （CFS） is reduced from 1.845 8 eV to 0.420 8 eV meanwhile. A physics image relating the calculations results with CFS in the frame of ligand-field theory is presented, which manifests that CFS is a necessary parameter to be introduced directly in the theory of spin-state transition.

Capability of the Free-Ion Eigenstates for Crystal-Field Splitting

Any electronic eigenstate of the paramagnetic ion open-shell is characterized by the three independent multipole asphericities for and 6 related to the second moments of the relevant crystal-field splittings by , where . The Ak as the reduced matrix elements can serve as a reliable measure of the state capability for the splitting produced by the k-rank component of the crystal-field Hamiltonian. These multipolar characteristics allow one to verify any fitted crystal-field parameter set by comparing the calculated second moments and the experimental ones of the relevant crystal-field splittings. We present the multipole characteristics Ak for the extensive set of eigenstates from the lower parts of energy spectra of the tripositive 4 f N ions applying in the calculations the improved eigenfunctions of the free lanthanide ions obtained based on the M. Reid f-shell programs. Such amended asphericities are compared with those achieved for the simplified Russell-Saunders states. Next, they are classified with respect to the absolute or relative weight of Ak in the multipole structure of the considered states. For the majority of the analyzed states (about 80%) the Ak variation is of order of only a few percent. Some essential changes are found primarily for several states of Tm3+, Er3+, Nd3+, and Pr3+ ions. The detailed mechanisms of such Ak changes are unveiled. Particularly, certain noteworthy cancelations as well as enhancements of their magnitudes are explained.

Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field

<正> The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within themean-field theory based on Bogoliubov inequality for the Gibbs free energy.The ground-state phase diagram and thetricritical point are obtained in the transverse field Ω/zJ-longitudinal crystal D/zJ field plane.We find that there are thefirst order-order phase transitions in a very small range of D/zJ besides the usual first order-disorder phase transitionsand the second order-disorder phase transitions.

CRYSTAL-FIELD AND TRANSVERSE-FIELD EFFECTS OF THE SPIN-ONE ISING MODEL

A mean-field approximation (MFA) is used to treat the crystal-field and transverse-field effects of the spin-1 Ising modle in the presence of longitudinal field. In spite of its simplicity, this scheme still gives the satisfied results.

冲击作用下CL⁃20含能共晶的反应分子动力学模拟

共晶技术是降低六硝基六氮杂异伍兹烷(CL‐20)感度的有效方法之一,研究冲击作用下CL‐20共晶的化学反应,有助于理解CL‐20共晶的冲击反应机制,对炸药安全评价分析具有重要意义。本研究采用ReaxFF‐lg反应力场的分子动力学方法,同时结合非平衡加载方法,对CL‐20/2,5‐二硝基甲苯(DNT)、CL‐20/1,3‐二硝基苯(DNB)和CL‐20/1‐甲基‐3,5‐二硝基‐1,2,4‐三唑(MDNT)三种共晶在2~5 km·s^(-1)冲击速度下的冲击压缩过程进行了分子动力学模拟,获得了含能共晶在冲击作用后的热力学演化特征、初始化学反应路径和产物信息,并与CL‐20的情况进行了对比分析。研究发现:CL‐20/DNT、CL‐20/DNB和CL‐20/MDNT 3种共晶都有一定程度的降低冲击感度作用,3种共晶的冲击感度顺序依次为CL‐20/MDNT>CL‐20/DNB>CL‐20/DNT。3种共晶的分解反应均是从CL‐20分解开始,且CL‐20的分解速度比DNT、DNB和MDNT快。在2 km·s^(-1)冲击速度下,CL‐20共晶首先发生聚合反应,CL‐20与共晶配体分子间的聚合反应早于CL‐20分子间的聚合,且反应频次远高于CL‐20分子之间聚合。在3 km·s^(-1)的冲击条件下,CL‐20首先发生了N—N以及C—N键断裂,笼型结构被破坏,同时生成NO_(2),CL‐20初步断键后的结构及产物NO_(2)会进一步与共晶配体分子DNT、DNB、MDNT结合,降低CL‐20反应中间产物的浓度,达到降感作用。在4,5 km·s^(-1)冲击条件下,CL‐20中的环状骨架结构会直接遭到破坏,发生C—N键断裂,产生小分子碎片,直接生成N2,同时有NO_(2)、H_(2)、CO_(2)、H_(2)O等产物生成。

宽波段大视角液晶偏振转换器研究进展

偏振转换器能够通过对入射光偏振态的动态调控间接实现几何相位型多功能光学器件光学响应特性的动态可调。基于液晶的偏振转换器具有调控效率高、调控面积大、紧凑化程度高等诸多优势,是目前应用较为广泛的偏振转换器。本文围绕偏振转换效率、工作波段、视场角3个核心参量,系统介绍了液晶偏振转换器最新的研究进展,分别给出了典型液晶偏振转换器和大视角宽波段液晶偏振转换器的详细结构和性能表现,同时介绍了液晶偏振转换器工作波段和视角的拓展方法。该项工作能够为液晶偏振转换器结构设计与应用提供必要的参考,同时为基于几何相位或新型相位调控模式的研究提供一些思路。

具有尖锐吸收截面和显著增强电场的等离激元-光子混合谐振腔

研究了由二维光子晶体微腔和金纳米天线组成的等离激元-光子混合谐振腔中光学谐振腔对等离激元谐振腔的额外贡献。研究结果表明:与纯等离激元谐振腔相比,混合体系的吸收截面和电场强度均明显增强。特别地,混合谐振腔的吸收截面谱呈现出类Fano线形和尖峰,可以通过改变金纳米天线的数量或金纳米天线与光子晶体微腔之间的共振波长失谐进行调制。此外,混合谐振腔的电场增强因子比金纳米天线高出3个数量级。可为光热探测和光谱增强研究提供新的平台。

Nd^(3+):GdScO_(3)晶体场能级及拟合分析

采用提拉法生长出了钕掺杂钪酸钆晶体(Nd^(3+):GdScO_(3)),通过低温吸收光谱和室温发射光谱,对其中Nd^(3+)的实验能级进行分析指认,确定了Nd^(3+):GdScO_(3)的66个实验Stark能级,拟合了其自由离子参数和晶体场参数,拟合均方根误差为13.17 cm^(–1).与Nd^(3+):YAP和Nd^(3+):YAG相比,Nd^(3+):GdScO_(3)的晶场强度较弱.弱的晶体场强度有可能是Nd^(3+):GdScO_(3)晶体具有优良激光特性的原因之一.本文数据集可在https://www.doi.org/10.57760/sciencedb.15702中访问获取.

水平连铸结晶器内真实换热边界计算及传递模型

连铸结晶器内冷却水的流动、传热和金属液的传热、凝固全耦合计算时,模型计算效率低、收敛性差,而不考虑真实冷却水流场只进行金属液传热-凝固耦合时,模型计算精度较低,可将冷却水流动-传热和金属液传热-凝固过程分别建模,并基于二次开发的温度场量原位传递程序,将模型串联耦合。结果表明,通过耦合流场计算得到的真实冷却边界替代传统均匀界面换热系数的边界条件施加方式,在保证模型计算效率和计算精度的前提下,可准确模拟铸坯晶粒的尺寸、取向和数量,经试验验证,模拟结果与试验结果高度吻合。

Simulation of f-d transition using the extended crystal-field model:parameter dependent study for Er^(3+) in various hosts

The 4f-5d transitions of Er3+ ions doped in crystals were widely studi ed due to their potential applications in quantum cutting phosphors and VUV lase rs,etc.The theory to do the calculations of 4f-5d transitions and various rela ted aspects,such as the ways to determining various parameters,were summarized .The impacts of various interactions on the spectra were also demonstrated clea rly with Er3+ ions in crystals CaF2 and LiYF4.Predicted results were compared w ith measured spectra.

Chromonic溶致液晶及调控研究进展

Chromonic溶致液晶(Lyotropic Chromonic Liquid Crystals,LCLCs)是由可溶性芳香族化合物自组装形成的一类溶致液晶。由于其丰富的物理各向异性、生物兼容性以及可调控性,LCLCs在生物检测、细菌操控等应用领域具有重要的研究价值。本文回顾了LCLCs调控方面的研究,简要介绍了其特性,重点分析了外场调控、掺杂等调控手段对LCLCs的影响,最后讨论和总结了可行的调控手段和未来的发展路线。

等轴晶AZ80镁合金的全场晶体塑性模拟研究

对铸态AZ80镁合金进行405℃,24 h的固溶处理、等径角挤压(Equal channel angular pressing,ECAP)实验,并使用全场晶体塑性模拟(Full-field crystal plasticity simulation)探究试样在拉伸变形过程中的微观演化。晶体塑性模拟可以更加便捷地获得相对准确的微观变形机制、孪晶演变等更加全面的现场数据,以此总结出不同物理量的规律,这些优势在实验表征过程中是较难实现的,且在追踪试样变形过程中起到重要作用。研究发现,试样经ECAP之后会形成细晶均匀组织,屈服强度和抗拉强度分别达到215.1 MPa、381.5 MPa,延伸率为20.1%,显著高于铸态AZ80的性能(屈服强度为118.6 MPa,抗拉强度为162.68 MPa,延伸率为6.6%);同时通过模拟可以很好地预测不同应变量下镁合金微观组织和变形机制的演化规律,发现随着应变的增加,内部出现拉伸孪晶的晶粒中会发生Basinski效应,同时在硬取向区域形成剪切带;在变形过程中,基面滑移是主要变形机制,并在拉伸达到4%时其对变形的贡献有所下降,其下降部分主要由柱面滑移补偿。

Crystal-field splitting of Ce^(3+)in narrow-band phosphor SrLiAl_(3)N_(4)

As a promising narrow-band phosphor,SrLiAl_(3)N_(4)has a seemingly ultra-small total crystal-field splitting of only 2400 cm^(-1)with Ce^(3+)as dopant ions.This paper is devoted to unravel this anomalous phenomenon based on semi-quantitative crystal-field calculations.The results show that there may exist undetected excitation peaks immersed in the host excitation band,and the calibrated crystal-field splitting is 27000 cm^(-1).comparable to those of other Ce^(3+)doped phosphors.In the end the effect of polyhedral deformation on energy level is briefly discussed.

直轧工艺下连铸机水口浸入深度数值模拟与应用

针对直轧工艺下165方断面连铸机生产实际,对高拉速小方坯直通型浸入式水口进行数值模拟,研究水口浸入深度对高拉速方坯连铸机结晶器内钢液流场、波动高度场的影响。在此基础上模拟计算四种浸入深度140、115、90、65 mm,在高拉速工况确定,工作拉速稳定在4.2 m/min,水口浸入深度为90 mm时,液面波动高度在4.44 mm左右,液面稳定。通过制作专用测量工具,生产验证后,铸坯质量统计表明,铸坯凹坑、夹渣等情况基本消除,铸坯表面质量缺陷较之前有了有效提高。

负性向列相液晶电致缺陷的产生与湮灭过程

取向有序的液晶材料具有丰富的物理各向异性、外场响应性、物理效应,催生了新一代的光电应用.利用电场可在液晶中产生拓扑缺陷.缺陷动态过程受材料自身特性和外界条件的影响尚未明晰.本文选用介电各向异性△ε在-1.1到-11.5之间的7种向列相液晶材料,通过施加线性增加的交流电场,研究了负性向列相液晶电致脐点缺陷产生到湮灭过程中材料特性(△ε)和外界条件(温度、外加电场参数)对脐点缺陷的标度规律及湮灭快慢的影响.结果表明:在不同的△ε、温度和电场频率下,缺陷产生过程均满足Kibble-Zurek机制,即缺陷密度与电场变化率之间存在标度关系,且标度指数约为1/2;温度越高,产生缺陷密度越大;△ε越强或电场变化越快,缺陷湮灭速度越快.本文的研究厘清了拓扑缺陷产生湮灭与材料特性和外界条件的依赖关系,有利于对软物质中拓扑缺陷动态过程的认识和理解.

VGF法磷化铟单晶炉加热器对炉内热场分布影响的研究

磷化铟(InP)是一种重要的化合物半导体,在通信、航空航天和人工智能等领域具有广泛的应用。InP单晶生长质量的优劣取决于其生长炉内热场的稳定与温控。InP晶体工业生产中广泛采用的垂直梯度凝固(VGF)法是在磷化铟单晶生长炉中构建高温、封闭、稳定及可控的热场,但因炉内缺乏直接观测和完整的参数监测手段,利用计算机数值仿真对炉内晶体生长的温度场进行科学分析,以获取最佳的生长温控条件,俨然成为有效且重要的方法。本文基于ANSYS有限元软件及炉内元件实测参数,建立了InP单晶生长系统热场三维物理和数学模型,基于磷化铟单晶生长过程中的温度离散数据,对所建模型对比和验证,获得了与实际生产温度数据吻合良好的效果(温度偏差控制在3%以内),验证了所建模型的有效性。基于此模型,本文对生产条件下四段加热器温度波动对热场分布影响进行了探讨,并对炉内四段加热器的温度波动对炉内低温区、高温区及料管中心温度影响规律进行了研究,所得结论对揭示工业生产过程中InP单晶炉热场的分布规律及调节方法具有一定的指导意义。

负性液晶电致图案化及其衍射特性

液晶中电对流图案形成是一种奇特而又有趣的现象,同时也是光衍射研究中的一个重要问题。本文旨在探索负介电各向异性的向列相液晶中图案的形成以及相关的衍射特性。实验观察到4种不同的电对流图案,分别是软方形图案、斜条纹、静脉状图案和不规则图案。探究了不同温度下产生图案所需要的阈值电压。研究了电场对图案的周期性以及相对指向矢倾斜角的影响,并对图案相应的衍射特性进行了分析。实验结果表明,通过调节电场和温度可以改变电对流图案。产生图案所需要的阈值电压随着温度的升高而减小,随着频率的升高而增大。软方形图案的周期随着频率的升高先减小后增大,而斜条纹的周期随频率的升高而减小。当f=25~45Hz时,斜条纹相对于初始指向呈现约44°的偏转。这种可控的电对流图案为实现基于向列相液晶的可调谐光学衍射器件提供了一种可行方案。

计算全息综合性光电教学实验设计

基于傅里叶光学原理实现对目标光场进行精确重建,设计了从显示目标绘制,相应计算全息图生成到光学重建的综合性教学实验。具体的实验流程包含基于Visio的显示目标设计,基于MATLAB的相位型计算全息图生成算法编写和基于相位型液晶空间光调制器的目标重建光路搭建。实验设计结合了光学、数字电路和计算机软件技术,具有流程清晰、易于教学、学生参与度高和获得感强的优势,可有效增强学生对计算全息技术与光电信息技术的理论理解与实操能力。