空位在金刚石近(001)表面扩散的分子动力学模拟

用分子动力学方法模拟了空位在金刚石近(001)表面的扩散过程,研究了温度对空位扩散的影响.结果表明,当温度为1000K左右时,位于近表面第二层上的空位开始向表面运动;当温度在1400—2000K时,空位完全扩散到表面.这与实验结果和其他计算结果符合得很好.同时发现,温度为1400—1800K时,空位的扩散经历了两次迁移运动,其分别对应了均方位移图中的两个极大值.在不施加任何约束的条件下得到了空位的动态扩散路径,空位在金刚石近(001)表面的扩散势垒约为042eV.并探讨了一定温度下空位数目增多及其不同排列 关键词： 金刚石 空位 扩散 分子动力学     

Vibrational Dynamics Studies by Nuclear Resonant Inelastic X-Ray Scattering

Nuclear resonant inelastic X-ray scattering of synchrotron radiation is being applied to ever widening areas ranging from geophysics to biophysics and materials science. Since its first demonstration in 1995 using the ⁵⁷Fe resonance, the technique has now been applied to materials containing ⁸³Kr, ¹⁵¹Eu, ¹¹⁹Sn, and ¹⁶¹Dy isotopes. The energy resolution has been reduced to under a millielectronvolt. This, in turn, has enabled new types of measurements like Debye velocity of sound, as well as the study of origins of non-Debye behavior in presence of other low-energy excitations. The effect of atomic disorder on phonon density of states has been studied in detail. The flux increase due to the improved X-ray sources, crystal monochromators, and time-resolved detectors has been exploited for reducing sample sizes to nano-gram levels, or using samples with dilute resonant nuclei like myoglobin, or even monolayers. Incorporation of micro-focusing optics to the existing experimental setup enables experiments under high pressure using diamond-anvil cells. In this article, we will review these developments. This revised version was published online in August 2006 with corrections to the Cover Date.     

电子辐照诱发固态相变导致的氮化硼纳米结构生长

报道了N+离子轰击产生的氮化硼(BN)纳米结构,及在电子辐照时结构演化的高分辨透射电子显微镜的原位测定结果.应当强调的是,这种类富勒烯和发夹结构的演化,实际上是电子辐照诱发固态相变的发展,观察中发现的一些BN颗粒、卷曲物,可以被认为是类富勒烯等纳米结构形成的前体或早期阶段.提出了一种类富勒烯等结构的电子辐照动力学模型,并进行了讨论. 关键词： 氮化硼 电子辐照 透射电子显微镜 氮化硼纳米形成物     

Sensitivity of depolarized lidar signals to cloud and aerosol particle properties

Measurements from depolarized lidars provide a promising method to retrieve both cloud and aerosol properties and a versatile complement to passive satellite-based sensors. For lidar observations of clouds and aerosols, multiple scattering plays an important role in the scattering process. Monte Carlo simulations are carried out to investigate the sensitivity of lidar backscattering depolarization to cloud and aerosol properties. Lidar parameters are chosen to be similar to those of the upcoming space-based CALIPSO lidar. Cases are considered that consist of a single cloud or aerosol layer, as well as a case in which cirrus clouds overlay different types of aerosols. It is demonstrated that besides thermodynamic cloud phase, the depolarized lidar signal may provide additional information on ice or aerosol particle shapes. However, our results show little sensitivity to ice or aerosol particle sizes. Additionally, for the case of multiple but overlapping layers involving both clouds and aerosols, the depolarized lidar contains information that can help identify the particle properties of each layer.     

Controlling global stochasticity of Hamiltonian systems by nonlinear perturbation

A method of controlling global stochasticity in Hamiltonian systems by applying nonlinear perturbation is proposed. With the well-known standard map we demonstrate that this control method can convert global stochasticity into regular motion in a wide chaotic region for arbitrary initial condition, in which the control signal remains very weak after a few kicks. The system in which chaos has been controlled approximates to the original Hamiltonian system, and this approach appears robust against small external noise. The mechanism underlying this high control efficiency is intuitively explained. Received 15 January 2002 Published online 6 June 2002     

掺铥氟磷玻璃的结构、热学性质和光谱性质

制备了不同Al(PO3)3含量的掺铥系列氟磷玻璃,研究了其结构、热稳定性和光谱性质。随着Al(PO3)3含量的增加,该系列玻璃的密度降低,折射率增加,差热分析表明,转变温度、析晶起始温度、析晶峰温度和熔化温度增加。Al(PO3)3摩尔浓度在7%~9%时析晶稳定性最佳。采用归一化的拉曼光谱分析了材料的结构和声子状况,对于该系列氟磷玻璃,Al(PO3)3含量的增加不会影响声子能量,但使声子密度增大。测试了样品的吸收光谱,Tm3 的3H6→3F4在第三通信窗口的L波段有明显吸收。与在其它玻璃基质中相比,Tm3 的3F4能级对应能量偏高,3H4能级对应能量偏低,使得3H4→3F4跃迁波长较大,接近于增益迁移光纤放大器的放大波长。扎得奥菲而特(Judd-Ofelt)理论分析表明随着Al(PO3)3含量增加,离子强度参量Ω2增大,Ω6保持相对稳定,Tm3 的能级寿命降低。     

TRANILAST ^1H^13CNMR谱分析及其结构的鉴定

本文用COSY,CHCOR等二维核磁共振技术对TRANILAST,2[]3-(3.4-二甲基苯基)1-氧代-2-丙烯基]氨基]苯甲到进行了~1H、~(13)C NMR谱数据分析及归属,并结合~(13)C弛豫时间T_1 及变温实验对合成产品进行了结构鉴定.     

Navier-Stokes equations in 3D thin domains with Navier friction boundary condition

In this article we study the 3D Navier-Stokes equations with Navier friction boundary condition in thin domains. We prove the global existence of strong solutions to the 3D Navier-Stokes equations when the initial data and external forces are in large sets as the thickness of the domain is small. We generalize the techniques developed to study the 3D Navier-Stokes equations in thin domains, see [G. Raugel, G. Sell, Navier-Stokes equations on thin 3D domains I: Global attractors and global regularity of solutions, J. Amer. Math. Soc. 6 (1993) 503-568; G. Raugel, G. Sell, Navier-Stokes equations on thin 3D domains II: Global regularity of spatially periodic conditions, in: Nonlinear Partial Differential Equations and Their Application, College de France Seminar, vol. XI, Longman, Harlow, 1994, pp. 205-247; R. Temam, M. Ziane, Navier-Stokes equations in three-dimensional thin domains with various boundary conditions, Adv. Differential Equations 1 (1996) 499-546; R. Temam, M. Ziane, Navier-Stokes equations in thin spherical shells, in: Optimization Methods in Partial Differential Equations, in: Contemp. Math., vol. 209, Amer. Math. Soc., Providence, RI, 1996, pp. 281-314], to the Navier friction boundary condition by introducing a new average operator Mε in the thin direction according to the spectral decomposition of the Stokes operator Aε. Our analysis hinges on the refined investigation of the eigenvalue problem corresponding to the Stokes operator Aε with Navier friction boundary condition.     

石墨和纳米碳中缺陷和电子密度随温度的变化

测量了石墨和纳米碳在不同温度下的正电子寿命谱,研究了石墨和纳米碳中缺陷和电子密度随温度的变化.结果表明,纳米碳中缺陷的开空间和缺陷浓度分别大于和高于石墨晶体;纳米碳的平均自由电子密度低于石墨晶体.当温度从25K升至295K时,石墨和纳米碳中的平均自由电子密度随温度的升高而下降:石墨晶体中的自由电子密度随温度的升高变化较小;纳米碳的自由电子密度随温度的升高变化较大.随着温度的升高,石墨和纳米碳中的热空位数量增多,而且这些空位可迁移至微孔洞的内表面使微孔洞的开空间增大.     

通过平均场处理的严格重正化群变换方法对Potts模型的应用

本文运用作者所发展的严格docimation- 平均场近似方法对Potts 模型的临界指数作了计算.所得结果与严格解符合得很好, 而与计算工作量相当的重正化群方法相比, 精确度大为提高。 关键词：