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841.
This paper discusses the spectral properties and numerical simulation for the second order elliptic operators with rapidly
oscillating coefficients in the domains which may contain small cavities distributed periodically with period ε. A multiscale
asymptotic analysis formula for this problem is obtained by constructing properly the boundary layer. Finally, numerical results
are given, which provide a strong support for the analytical estimates 相似文献
842.
We report here an efficient implementation of the finite difference Poisson-Boltzmann solvent model based on the Modified Incomplete Cholsky Conjugate Gradient algorithm, which gives rather impressive performance for both static and dynamic systems. This is achieved by implementing the algorithm with Eisenstat's two optimizations, utilizing the electrostatic update in simulations, and applying prudent approximations, including: relaxing the convergence criterion, not updating Poisson-Boltzmann-related forces every step, and using electrostatic focusing. It is also possible to markedly accelerate the supporting routines that are used to set up the calculations and to obtain energies and forces. The resulting finite difference Poisson-Boltzmann method delivers efficiency comparable to the distance-dependent dielectric model for a system tested, HIV Protease, making it a strong candidate for solution-phase molecular dynamics simulations. Further, the finite difference method includes all intrasolute electrostatic interactions, whereas the distance dependent dielectric calculations use a 15-A cutoff. The speed of our numerical finite difference method is comparable to that of the pair-wise Generalized Born approximation to the Poisson-Boltzmann method. 相似文献
843.
In near neutral medium, the resonance Rayleigh scattering (RRS) intensities of an alone cationic surfactant and nucleic acid are very weak. However, when they combine with each other to form a complex, the RRS intensity of the solution is enhanced greatly. In this paper the reactions of five cationic surfactants with nucleic acids have been studied. The results show that the reaction conditions and RRS spectral characteristics of these reactions are similar, but their sensitivities are obviously different. Among them, the sensitivity of cetyldimethyl benzylammonium chloride (CDBAC) with an aryl and large molecular weight is the highest, while that of cetyl-trimethylammonium bromide (CTAB) without aryl and with small molecular weight is the lowest. The detection limits for ctDNA and yRNA of the former are 6.6 and 29.4 ng · mL-1, while that of the latter are 13.3 and 53.6 ng · mL-1. The method has better selectivity and can be applied to the determination of trace amounts of nucleic acids. Furthermore, i 相似文献
844.
Guo JH Luo Y Augustsson A Rubensson JE Såthe C Agren H Siegbahn H Nordgren J 《Physical review letters》2002,89(13):137402
We use x-ray emission spectroscopy to examine the influence of the intermolecular interaction on the local electronic structure of liquid water. By comparing x-ray emission spectra of the water molecule and liquid water, we find a strong involvement of the a(1)-symmetry valence-orbital in the hydrogen bonding. The local electronic structure of water molecules, where one hydrogen bond is broken at the hydrogen site, is separately determined. Our results provide an illustration of the important potential of x-ray emission spectroscopy for elucidating basic features of liquids. 相似文献
845.
Kubo K Akemoto M Anderson S Aoki T Araki S Bane KL Blum P Corlett J Dobashi K Emma P Frisch J Fukuda M Guo Z Hasegawa K Hayano H Higo T Higurashi A Honda Y Iimura T Imai T Jobe K Kamada S Karataev P Kashiwagi S Kim E Kobuki T Kotseroglou T Kurihara Y Kuriki M Kuroda R Kuroda S Lee T Luo X McCormick DJ McKee B Mimashi T Minty M Muto T Naito T Naumenko G Nelson J Nguyen MN Oide K Okugi T Omori T Oshima T Pei G Potylitsyn A Qin Q Raubenheimer T Ross M Sakai H Sakai I Schmidt F Slaton T Smith H 《Physical review letters》2002,88(19):194801
Electron beams with the lowest, normalized transverse emittance recorded so far were produced and confirmed in single-bunch-mode operation of the Accelerator Test Facility at KEK. We established a tuning method of the damping ring which achieves a small vertical dispersion and small x-y orbit coupling. The vertical emittance was less than 1% of the horizontal emittance. At the zero-intensity limit, the vertical normalized emittance was less than 2.8 x 10(-8) rad m at beam energy 1.3 GeV. At high intensity, strong effects of intrabeam scattering were observed, which had been expected in view of the extremely high particle density due to the small transverse emittance. 相似文献
846.
Highly ordered Prussian blue nanowires with diameter of about 50 nm and length up to 4 m have been fabricated by an electrodepositing technology with two-step anodizing anodic aluminum oxide films. The Mössbauer spectra taken between 15 and 300 K indicate that the hyperfine parameters decrease as the temperature increases. The temperature dependence of the quadrupole splitting, the isomer shift and the spectra area are discussed. A decrease of Debye temperature for Prussian blue nanowires was found with respect to that of Prussian blue bulk. 相似文献
847.
848.
Xizhang Luo Jiancong Luo Jiayin Qin 《International Journal of Infrared and Millimeter Waves》1999,20(6):1085-1090
The effect of buffer gas N2 on miniature optically pumped NH3 submillimeter wave (SMMW) cavity laser emission at 67.2m was studied theoretically and experimentally. It has been found that: 1. N2 had a positive effect on laser output of 67.2m, 2. sharp absorption in laser spectrum under certain gases mixture pressure corresponded to the threshold of 'bottleneck effect. 相似文献
849.
利用不完全自锁模激光研究C60的反饱和吸收效应 总被引:3,自引:1,他引:2
本文报道首次采用色心晶体的不完全自锁模激光(1064nm)对C60分子反饱和吸收效应的研究,实验结果与采用平均过程的研究方法是一致的,文中还讨论了C60分子反饱和吸收效应产生的原因。 相似文献
850.
NH3的同步辐射光电离 总被引:2,自引:0,他引:2
用同步辐射光在10.0-11.8eV能量范围内测量了NH3的光电离效率曲线,观察到在台阶状的离子振动谱上叠加了丰富的自电离结构。通过相应振动结构分析,得到NH3分子离子基电子态的振动波数ωe和非谐性常数(ωeχe),对于出现的自电离结构可归类于nsa1(n=5,6),npa1(n=5,6)和npe(n=6,7)Rydberg系列。 相似文献