晶体Zn（antipyrine）2（NO3）2∶VO^2＋的EPR谱及光吸收谱的理论研究

由于硝酸钒锌二安替比林晶体[Zn(antipyrine)2(NO3)2∶VO2 ]中配体O2-的自旋-轨道耦合参量0pζ≈150cm-1与中心过渡族3d1离子V4 的ζ0d≈248 cm-1相差不太大,故配体的自旋-轨道耦合参量0pζ对电子顺磁共振(EPR)谱和光吸收谱的贡献必须考虑。采用双自旋-轨道耦合参量模型和相关的晶体场能级公式,计算了Zn(antipyrine)2(NO3)2∶VO2 晶体的EPR谱和光吸收谱,所得理论结果与实验发现很好符合;确定了该晶体的局域对称结构沿C4轴的四角畸变约为0.45 nm;计算发现,较大的κ值说明VO2 中未配对的s电子对超精细结构常数有较大的贡献。并对上述这些结果的合理性进行了讨论。     

晶体Zn(antipyrine)2(NO3)2:VO2+的EPR谱及光吸收谱的理论研究

由于硝酸钒锌二安替比林晶体[Zn(antipyrine)2(NO3)2:VO2 ]中配体O2-的自旋-轨道耦合参量ζ0p≈150 cm-1与中心过渡族3d1离子V4 的ζ0d≈248 cm-1相差不太大,故配体的自旋-轨道耦合参量ζ0p对电子顺磁共振(EPR)谱和光吸收谱的贡献必须考虑.采用双自旋-轨道耦合参量模型和相关的晶体场能级公式,计算了Zn(antipyrine)2(NO3)2:VO2 晶体的EPR谱和光吸收谱,所得理论结果与实验发现很好符合;确定了该晶体的局域对称结构沿C4轴的四角畸变约为0.45 nm;计算发现,较大的κ值说明VO2 中未配对的s电子对超精细结构常数有较大的贡献.并对上述这些结果的合理性进行了讨论.     

晶体PZCST:VO2+的EPR谱及光吸收谱的理论研究

采用双旋-轨耦合参量模型和3d¹电子组态在四角对称下的能级公式,计算了KZnClSO₄·3H₂O(PZCST): VO²⁺的EPR谱和光吸收谱,所得EPR谱和光吸收谱的理论结果与实验发现符合得很好. 研究发现,该晶体沿C₄轴局域对称结构呈压缩的四角畸变,其大小为0.47 nm;大的κ值表明VO²⁺的未配对电子的自旋极化对超精细结构常数有着较大的贡献.     

掺铜PTO晶体顺磁共振谱及局域结构的理论研究

基于晶体场理论,本文采用重叠模型和3d⁹电子组态在畸变四角晶场中的g因子和超精细结构常数A的三阶微扰计算公式以及钛酸铅PbTiO₃ (PTO): Cu²⁺晶体的局域结构与EPR谱之间的定量关系,合理解释了PTO: Cu²⁺晶体的EPR谱及局域晶体结构,所得结果与实验观测相符合.      

Er3+/Yb3+共掺的氟磷酸盐玻璃的光谱性质和热稳定性

研究了Er3+/Yb3+共掺的氟磷酸盐玻璃的光谱性质和热稳定性。应用Judd-Ofelt理论计算了玻璃的三个强度参量Ωｔ (ｔ=2,4,6)，计算了Er3+离子的辐射跃迁几率，荧光支效率和自发辐射几率等光谱参量。 经荧光谱测试发现掺Er3+/Yb3+共掺的氟磷酸盐玻璃的荧光半高宽可达63nm ，应用McCumber理论计算了1.53μｍ处的受激发射截面，可达6.85×10-21 cm2。     

ZnO:Fe3+体系局域晶格结构的研究

本文采用对角化三角场中d5组态离子的完全能量矩阵的方法,研究了Fe3+离子在ZnO:Fe3+体系的局域结构与EPR参量的关系,结果表明：在ZnO:Fe3+体系中,Fe3+取代了Zn2+离子后整个晶体显示出压缩畸变,其畸变参量ΔR=-0.119A和Δθ=0.339°被确定。     

高能、超短脉冲、可调谐激光器用掺镱氟磷酸盐玻璃研究进展(英文)

Yb3+与其它稀土离子相比有最简单的能级结构,这使它具有一些独特的性质,如避免激发态吸收,消除上转换和浓度猝灭等,因此它是高能输出激光器介质的理想掺杂离子。氟磷玻璃综合了氟化物玻璃和磷酸盐玻璃的优点,可降低磷酸盐的声子能量,改善其易吸湿性;提高氟化物玻璃的物理化学性能等,这使它成为稀土掺杂可调谐光纤激光器的很好的掺杂介质。众多研究表明,Yb3+掺杂氟磷玻璃是一种很有前途的激光工作物质。本文总结了Yb3+掺杂氟磷玻璃的特点,性质,结构及存在的问题。     

Er~(3+)/Yb~(3+)共掺杂磷酸盐微晶玻璃的光谱性质

采用高温熔融法生长了Er3+/Yb3+共掺杂的磷酸盐微晶玻璃,测量了微晶玻璃室温下的吸收光谱。由此吸收谱,根据Judd-O felt理论,计算了Er3+/Yb3+共掺杂磷酸盐微晶玻璃的强度参数、自发辐射几率、荧光分支比等光谱参数,得到了吸收截面曲线,并根据M cCumber理论得到1 540 nm附近的积分发射截面。样品的强度参数为Ω2=6.33×10-20cm2,Ω4=1.41×10-20cm2,Ω6=1.09×10-20cm2。1 540 nm对应的积分发射截面峰值为1.8×10-20cm2。另外,还测量了Er3+/Yb3+共掺杂磷酸盐微晶玻璃在980 nm激发下的上转换光谱,讨论了Er3+/Yb3+共掺杂磷酸盐微晶玻璃的上转换发光和能量传递过程。     

Er~(3+)掺杂Ge-Ga-S-KBr硫卤玻璃的中红外发光和多声子弛豫的研究

为了获得能输出中红外荧光的理想基质玻璃,用熔融急冷法制备了系列不同Er3+离子掺杂浓度的Ge-Ga-S-KBr硫卤玻璃,测试了样品折射率、吸收光谱、中红外荧光光谱.通过吸收光谱计算了Er3+离子吸收谱线的振子强度,应用Judd-Ofelt理论计算分析了Er3+离子在Ge-Ga-S-KBr硫卤玻璃中的强度参量Ωi(i=2,4,6)、自发辐射跃迁几率A、荧光分支比β等光谱参量.研究了808nm激光抽运下样品中红外荧光特性与掺杂浓度之间变化关系,并用Futchbauer-Ladenburg公式分别计算了2.8μm处的受激发射截面.结果表明,在808nm激光抽运下观察到了2.8μm中红外荧光,对应于Er3+:4I11/2→4I13/2跃迁,当Er3+离子掺杂浓度从0.4wt%增加到1.0wt%时,中红外荧光强度相应增加,计算的Er3+:4I11/2能级的多声子驰豫速率为37s-1.     

掺入Mg2+对CsNiCl3晶体的基态能级、零场分裂参量及Jahn-Teller效应的影响

应用不可约张量理论构造了三角对称晶场中3d2/3d8态离子的45阶可完全对角化的微扰哈密顿矩阵,在考虑了以前工作中被忽略的自旋-自旋耦合作用的基础上计算了CsNiCl3晶体和CsNiCl3:Mg2+晶体的基态能级、晶体结构、零场分裂参量和Jahn-Teller效应,研究了掺入Mg2+对CsNiCl3晶体的光谱、零场分裂参量及Jahn-Teller效应的影响和自旋单重态对基态能级的贡献,发现掺杂使得晶体结构产生畸变,从而改变晶体光谱的精细结构和零场分裂参量,不改变Jahn-Teller效应的分裂规律但改变分裂的大小.     

Duality relation for 32-vertex model on the triangular lattice

The duality relation is derived for a vertex model on the triangular lattice. Vertex configurations are limited to the 32 that have an odd number of incoming arrows, and vertex energies are invariant to rotations ofp/3 and reversal of all arrows. Special cases of the model include the triangular Ising model and Baxter's three-spin model, for each of which the duality relation gives the critical temperature.Research supported in part by NSF Grant No. 33535X.     

Fractional differential models for anomalous diffusion

In this study, we investigate three kinds of fractional differential models (distributed-order model, variable-order model and random-order model) for characterization of anomalous diffusion. The characteristics, physical advantages and potential applications of each model are highlighted. The numerical simulations also validate our analytical and comparison results. Furthermore, a generalized distributed-variable-order model and a more generalized distributed-variable-random-order model are proposed to combine the advantages of distributed-order model, variable-order model and random-order model.     

丙酮CO键在溶剂中频移变化的几种理论模型比较

测量了丙酮在16种溶剂中CO键的伸缩振动拉曼光谱,并且在Gaussian03程序下采用自恰反应场方法(SCRF)对丙酮在各种溶剂中的拉曼光谱进行了理论计算。用三种溶剂模型的电子给体-受体模型、Kirkwood模型和自恰反应场模型对实验结果进行了分析比较,结果表明Gutmann提出的电子给体-受体模型与实验结果符合的最好,而自恰反应场理论结果要好于Kirkwood模型。通过对三种模型的机理进行分析,得出给体-受体模型在解释电负性比较强的分子键振动光谱比较好,自恰反应场模型不但考虑了介电常数ε,而且考虑了分子大小、构型等因素的影响,模型复杂,计算量比较大,但是因为考虑的因素比较多,所以与实验结果也符合的比较好,而Kirkwood模型的主要参数为ε,模型简单,计算简便,能大致反映频移的趋势,说明介电常数是影响频移的一个主要因素。     

Symmetry Relations for the Six-Vertex Model

The exact solution of the asymmetric six-vertex model is cast in an algebraically simple form in which the extraction of physical quantities is transparent. This is used to derive a symmetry relation corresponding to the exchange of spatial x and y axes. As an application we study the field-induced phase transition of a two-dimensional analogue of spin ice, a frustrated Ising magnet.     

丙酮CO键在溶剂中频移变化的几种理论模型比较

测量了丙酮在16种溶剂中CO键的伸缩振动拉曼光谱,并且在Gaussian03程序下采用自恰反应场方法(SCRF)对丙酮在各种溶剂中的拉曼光谱进行了理论计算。用三种溶剂模型的电子给体-受体模型、Kirkwood模型和自恰反应场模型对实验结果进行了分析比较,结果表明Gutmann提出的电子给体-受体模型与实验结果符合的最好,而自恰反应场理论结果要好于Kirkwood模型。通过对三种模型的机理进行分析,得出给体-受体模型在解释电负性比较强的分子键振动光谱比较好,自恰反应场模型不但考虑了介电常数ε,而且考虑了分子大小、构型等因素的影响,模型复杂,计算量比较大,但是因为考虑的因素比较多,所以与实验结果也符合的比较好,而Kirkwood模型的主要参数为ε,模型简单,计算简便,能大致反映频移的趋势,说明介电常数是影响频移的一个主要因素。     

α decay energies and half-lives from a macroscopic-microscopic model

α decay energies of 323 heavy nuclei with Z≥82 are evaluated with a macroscopic-microscopic model.In this model,the macroscopic part is treated by the continuous medium model and the microscopic part consists of shell and pairing corrections based on the Nilsson potential.α decay half-lives are calculated by Viola-Seaborg formula.The results of α decay energies and half-lives are compared with experimental values and satisfactory agreement is found.The recoiling effect of the daughter nucleus on α decay half-life is also discussed.     

Nonintersecting string model and graphical approach: Equivalence with a Potts model

Using a graphical method we establish the exact equivalence of the partition function of aq-state nonintersecting string (NIS) model on an arbitrary planar, even-valenced, lattice with that of a q²-state Potts model on a related lattice. The NIS model considered in this paper is one in which the vertex weights are expressible as sums of those of basic vertex types, and the resulting Potts model generally has multispin interactions. For the square and Kagomé lattices this leads to the equivalence of a staggered NIS model with Potts models with anisotropic pair interactions, indicating that these NIS models have a first-order transition forq > 2. For the triangular lattice the NIS model turns out to be the five-vertex model of Wu and Lin and it relates to a Potts model with two- and three-site interactions. The most general model we discuss is an oriented NIS model which contains the six-vertex model and the NIS models of Stroganov and Schultz as special cases.     

一种新的可调频等离子体辐射源

本文介绍了一种频率连续可调的等离子体辐射源。它是利用波与相对论等离子体前沿相互作用产生多普勒频移来产生辐射的。针对ＴＥ波与圆波导内低密度等离子体前沿相互作用，本文推导了所产生的辐射脉冲的上移频率、反射效率、传输效率和脉冲长度等计算公式。     

Manothermosonication (MTS) treatment of apple-carrot juice blend for inactivation of Escherichia coli 0157:H7

This study was performed to evaluate the responses of Escherichia coli 0157:H7 inoculated in an apple-carrot blended juice to manothermosonication (MTS) treatments. The MTS treatments were conducted in a continuous-flow MTS system. The juice samples were exposed to ultrasound treatment at combinations of three temperatures (60, 50 and 40 °C) and three pressure levels (100, 200, and 300 kPa) for five residence times (15, 30, 45, 60, and 75 s). The results showed that higher treatment temperature (i.e. 60 °C) and hydrostatic pressure in the MTS system significantly enhanced the microbial reduction. A FDA mandated 5-log CFU/ml reduction of E. coli 0157:H7 for juice processing was achieved in 30 s for MTS treatment at 60 °C, in comparison to 60 s at 50 °C. The Weilbull and Log-logistic models provided the best fitting of the inactivation data for the MTS treatments. Extensive damage of E. coli 0157:H7 cells treated with MTS was observed on micro-images of scanning electron microscopy and transmission electron microscopy.