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71.
The 7Li2 51Σg+ and 61Σg+ states have been studied both experimentally and theoretically. Vibrational levels v=1-26 of the 51Σg+ state and v=2-14 of the 61Σg+ state were observed using pulsed optical-optical double resonance technique. The 51Σg+ state has an unusual potential energy curve with a shelf near v=11. Dunham coefficients for the v=0-9 levels of the 51Σg+ state have been obtained. RKR potential energy curves of these two were generated. Ab initio potentials are in good agreement with the RKR potentials. 相似文献
72.
We present calculated scattering lengths for collisions between various isotopic forms of lithium and hydrogen atoms interacting via singlet and triplet molecular states of LiH. We demonstrate that one bound triplet level is supported for each isotopomer 7LiH, 6LiH, 7LiD, and 6LiD. We obtain large calculated triplet scattering lengths that are stable against uncertainties in the potential. We present elastic and momentum transfer cross sections, and the corresponding rate coefficients, for hydrogen atoms colliding with 7Li atoms. We suggest that enhanced cooling of trapped atomic hydrogen by 7Li atoms is feasible. 相似文献
73.
Cell-like structure of unstable oblique detonation wave from high-resolution numerical simulation 总被引:8,自引:0,他引:8
Jeong-Yeol Choi Dong-Wan Kim In-Seuck Jeung Fuhua Ma Vigor Yang 《Proceedings of the Combustion Institute》2007,31(2):2473-2480
A comprehensive numerical study was carried out to investigate the unsteady cell-like structures of oblique detonation waves (ODWs) for a fixed Mach 7 inlet flow over a wedge of 30° turning angle. The effects of grid resolution and activation energy were examined systematically at a dimensionless heat addition of 10. The ODW front remains stable for a low activation energy regardless of grid resolution, but becomes unstable for a high activation energy featuring a cell-like wave front structure. Similar to the situation with an ordinary normal detonation wave (NDW), a continuous increase in the activation energy eventually causes the wave-front oscillation to transit from a regular to an irregular pattern. The wave structure of an unstable ODW, however, differs considerably from that of a NDW. Under the present flow condition, triple points and transverse waves propagate downstream, and the numerical smoke-foil record exhibits traces of triple points that rarely intersect with each other. Several instability-driving mechanisms were conjectured from the highly refined results. Since the reaction front behind a shock wave can be easily destabilized by disturbance inherent in the flowfield, the ODW front becomes unstable and displays cell-like structures due to the local pressure oscillations and/or the reflected shock waves originating from the triple points. The combined effects of various instability sources give rise to a highly unstable and complex flow structure behind an unstable ODW front. 相似文献
74.
Thickness‐dependent electroforming behavior of ultra‐thin Ta2O5 resistance switching layer 下载免费PDF全文
Tae Hyung Park Seul Ji Song Hae Jin Kim Soo Gil Kim Suock Chung Beom Yong Kim Kee Jeung Lee Kyung Min Kim Byung Joon Choi Cheol Seong Hwang 《固体物理学:研究快报》2015,9(6):362-365
Electroforming behaviours of Ta2O5 resistance switching memory cell with a diameter of 28 nm and different thickness (0.5–2.0 nm) of Ta2O5 layer have been examined. The devices showed a constant forming electric field of 0.54 V/nm regardless of Ta2O5 thickness. The electroforming with negative bias to top TiN electrode was ascribed to electric field‐ driven migration of oxygen vacancies, originally residing near the bottom interface, toward the top electrode interface and formation of conducting filaments. The estimated electroforming energy (0.094–0.14 eV) was favourably compared with the hopping energy of electrons from the VO site to a nearby Ta site. (© 2015 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim) 相似文献
75.
Many in vivo and in vitro studies have demonstrated the targeted migration of neural stem cells (NSC) to infiltrating brain tumors, including malignant glioma, highlighting a potential therapeutic approach. However, there is not enough information to apply this approach to clinical therapy. The most important things in stem cell therapy for brain tumors involve selecting the appropriate neural progenitor type and optimizing the efficiency of the cell engraftment. By histological analysis using two different live-dyes, human NSCs were shown to migrate away from the transplanted site in the direction of the expanding C6 glioma and to intermix with the tumor bed, especially with the tumor core. This intermixing occurred within 7 days when NSCs were implanted into glioma model. The time course of migratory HB1.F5 with the greatest mobility of three NSC lines was as follows. As early as 3 days after transplantation, several NSCs were found leaving the implant site, primarily approaching microsatellites and frontier cells located near the site of NSC implantation. Through 7 days post-transplantation, massive numbers of NSCs continued to be attracted to and interspersed with C6 glioma, and were finally distributed extensively throughout the whole tumor bed, including the core and penumbra of the tumor mass. However, NSCs appeared to penetrate into the tumor mass very well, whereas normal fibroblast cells could not migrate. These findings strengthen the potential for human NSCs as attractive vehicles to improve therapeutic gene delivery to cancer or glioma if they are optimized to selectively kill neoplastic cells. 相似文献
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78.
The first catalytic asymmetric methallylation of ketones is reported. The catalyst, which is generated from titanium tetraisopropoxide, H8-BINOL, 2-propanol, and tetramethallylstannane, reacts with ketones in acetonitrile to afford tertiary homoallylic alcohols in fair to excellent yields (55-99%) and fair to high enantioselectivities (46-90%). Ozonolysis of the resulting products provides access to chiral beta-hydroxy ketones, which are not readily prepared from direct asymmetric aldol reaction of acetone with ketones. 相似文献
79.
First, the Thomas-Fermi-Amaldi (TFA) equation was formulated with a newly derived condition to remove the singularities at the nuclei, which coincided with the molecular cusp condition. Next, the collocation method was applied to the TFA equation using the grid-based density functional theory. In this paper, the electron densities and the radial probabilities for specific atoms (He, Be, Ne, Mg, Ar, Ca) were found to agree with those from the Thomas-Fermi-Dirac (TFD) method. Total energies for specific atoms (He, Ne, Ar, Kr, Xe, Rn) and molecules (H2,CH4) were also found to be close to those from the Hartree-Fock method using the Pople basis set 6-311G relative to the TFD method. In addition, the computational expense to determine the electron density and its corresponding energy for a large scale structure, such as a carbon nanotube, is shown to be much more efficient compared to the conventional Hartree-Fock method using the 6-31G Pople basis set. 相似文献
80.
Ni adsorption on Stone-Wales defect sites in (10,0) zigzag and (5,5) armchair single-wall carbon nanotubes was studied using the density functional theory. The stable adsorption sites and their binding energies on different Stone-Wales defect types were analyzed and compared to those on perfect side walls. It was determined that the sites formed via fusions of 7-7 and 6-7 rings are the most exothermic in the cases of (10,0) and (5,5) defective tubes. In addition C-C bonds associated with Stone-Wales defects are more reactive than the case for a perfect hexagon, thus enhancing the stability of the Ni adsorption. Moreover, the Ni adsorption was found to show a noticeable relationship to the orientation of the Stone-Wales defects with respect to the tube axis. The nature of the Ni adsorption on Stone-Wales defects that have the similar orientation is identical, in spite of the different chiralities. 相似文献