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21.
Some features of software implementation of the Pulay scaling procedure are considered. The advantages of the single value decomposition method for maintaining well-conditionality of the scale factor determination problem are demonstrated. The necessity of using a rational number of scale factors is shown. The possibility of obtaining transferable scale factors with the Pulay method and thus predict the vibrational spectra of related compounds is emphasized. 相似文献
22.
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1 Introduction Inrecentyears,boththetheoreticalandexperimentalinvestigationsonlasercoolingandtrappinghavebecomeoneofthemajorfieldsinatomic,molecularandoptical physics[1~ 8] .Thedevelopmentoflasercoolingandtrappingtechnologyisimportantfortheapplicationssu… 相似文献
24.
Optical trapping forces of polystyrene microspheres are analyzed both theoretically and experimentally, and comparisons are
made between the two. Discrepancies are mainly caused by straight-ray approximation for axial trapping, and by trapping-position
vertical displacement due to gravity for transverse trapping. 相似文献
25.
用力敏传感器测量乙醇水溶液的表面张力系数与浓度的关系 总被引:6,自引:3,他引:3
用硅压阻式力敏传感器测量了纯水、乙醇的表面张力系数,并测量了不同浓度的乙醇水溶液的表面张力系数,得到了乙醇水溶液的表面张力系数随浓度的变化曲线. 相似文献
26.
Wenbing Hu Alexander Buzin Jar‐Shyong Lin Bernhard Wunderlich 《Journal of Polymer Science.Polymer Physics》2003,41(4):403-417
The annealing at 373 K of ultrastrong, gel‐spun polyethylene (PE) has been studied. At this temperature, the fibers show no significant shrinkage. Still, a significant decrease in the mechanical properties is observed. The fibers have been analyzed with differential scanning calorimetry (DSC), temperature‐modulated differential scanning calorimetry (TMDSC), atomic force microscopy (AFM), and small‐angle X‐ray scattering (SAXS). During the annealing, the glass transition of the intermediate phase is exceeded, as shown by DSC. When split for structure analysis by AFM, the annealed fibers undergo plastic deformation around the base fibrils instead of brittle fracture. The quasi‐isothermal TMDSC experiments are compared to the minor structural changes seen with SAXS and AFM. The loss of performance of the PE fibers at 373 K is suggested to be caused by the oriented intermediate phase, and not by major changes in the structure or morphology. The overall metastable, semicrystalline structure is shown by TMDSC to posses local regions that can melt reversibly. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 403–417, 2003 相似文献
27.
Intermolecular Interactions in 8-Aza-D-Homogonane Crystals and their Manifestation in the IR Spectra
A. A. Akhrem A. A. Govorova O. V. Gulyakevich A. S. Lyakhov A. L. Mikhal'chuk I. V. Skornyakov G. B. Tolstorozhev 《Journal of Applied Spectroscopy》2004,71(2):156-163
Crystalline modifications of 8-aza-D-homogon-1,3,5(10),13-tetraen-12,17a-dione have been investigated by IR spectroscopy and x-ray structural analysis. It is shown that this compound crystallizes from solutions of chloroform with hexane in the form of a solvate comprised of chelate hydrogen bonds between the hydrogen atom of the chloroform molecule and the oxygen atoms of the carbonyl groups of the 8-azasteroid molecule. A relation between the changes in the characteristic absorption bands of the CH2-, C=O-, and I=C groups and the structure of the crystalline modifications has been established. 相似文献
28.
K. Franke 《Surface science》2005,585(3):144-154
Polarization switching in scanning force microscopy (SFM) is influenced by both electric fields and stress, whereby the latter can arise inherently from Maxwell stress. We discuss the influence of electric charges and of the polarization asymmetry on the switching behaviour. For single crystallites of PZT(53/47) thin films, the sectors for ferroelectric, ferroelastoelectric and ferroelastic switching are represented in a field-stress map. The influence of stress on the second harmonic of the SFM is also discussed. 相似文献
29.
We have observed three-dimensional sponge-like structures as well as strips of connecting pits on the surface of the LR 115 detector after etching, which can be confused with the small tracks formed after short etching time. We have employed an atomic force microscope (AFM) to study these “damages” as well as genuine alpha tracks for short etching time. It was found that while the track and damage openings could be similar in size and shape, the depths for the damages were consistently smaller. Therefore, the depth of the pits will serve as a clear criterion to differentiate between tracks and other damages. The ability to discriminate between genuine tracks from other damages is most important for etching for short time intervals. 相似文献
30.