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191.
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 相似文献
192.
Alp E. E. Sturhahn W. Toellner T. S. Zhao J. Hu M. Brown D. E. 《Hyperfine Interactions》2002,144(1-4):3-20
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. 相似文献
193.
194.
Yu You George W. Kattawar Ping Yang Yong X. Hu Bryan A. Baum 《Journal of Quantitative Spectroscopy & Radiative Transfer》2006,100(1-3):470-482
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. 相似文献
195.
Ying Zhang Gang Hu Shigang Chen H.A. Cerdeira 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,27(3):381-384
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 相似文献
196.
Sung‐Fu Hsu Tzong‐Ming Wu Chien‐Shiun Liao 《Journal of Polymer Science.Polymer Physics》2006,44(23):3337-3347
Poly(3‐hydroxybutyrate) (PHB)/layered double hydroxides (LDHs) nanocomposites were prepared by mixing PHB and poly(ethylene glycol) phosphonates (PEOPAs)‐modified LDH (PMLDH) in chloroform solution. Both X‐ray diffraction data and TEM micrographs of PHB/PMLDH nanocomposites indicate that the PMLDHs are randomly dispersed and exfoliated into the PHB matrix. In this study, the effect of PMLDH on the isothermal crystallization behavior of PHB was investigated using a differential scanning calorimeter (DSC) and polarized optical microscopy. Isothermal crystallization results of PHB/PMLDH nanocomposites show that the addition of 2 wt % PMLDH into PHB induced more heterogeneous nucleation in the crystallization significantly increasing the crystallization rate and reducing their activation energy. By adding more PMLDH into the PHB probably causes more steric hindrance of the diffusion of PHB, reducing the transportation ability of polymer chains during crystallization, thus increasing the activation energy. The correlation among crystallization kinetics, melting behavior and crystalline structure of PHB/PMLDH nanocomposites can also be discussed. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3337–3347, 2006 相似文献
197.
L. A. Gil‐Alana 《商业与工业应用随机模型》2006,22(4):385-395
This article examines the length of the cycles in the gross domestic product (GDP) real per capita series of 15 countries by means of new statistical techniques based on unit root cycles. We propose tests for unit root cycles at each of the frequencies of the process. Using this approach, we are able to approximate the number of periods per cycle. The results show that the cycles have a periodicity of approximately six years when the disturbances are white noise. However, if we permit autocorrelation, they may also occur at smaller intervals of time. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
198.
199.
Jian‐guo Tang 《Mathematical Methods in the Applied Sciences》2006,29(11):1327-1338
An implicit iterative method is applied to solving linear ill‐posed problems with perturbed operators. It is proved that the optimal convergence rate can be obtained after choosing suitable number of iterations. A generalized Morozov's discrepancy principle is proposed for the problems, and then the optimal convergence rate can also be obtained by an a posteriori strategy. The convergence results show that the algorithm is a robust regularization method. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献
200.
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. 相似文献