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61.
62.
A method for calculating the number of rotamers of a linear alkane and of the number of rotamers with a given number of gauche conformations along the chain as a function of the total number of atoms in the chain, using general equations, is presented. A graphical method for generating individual rotamers was applied to the homologs up to decane, which has 1134 rotamers. The steric energies calculated by molecular mechanics (MM2 force field) were used as measures of the heat of formation for the coiled conformations relative to the anti conformer for each molecule, whereas the statistical entropy differences were calculated for classes of coiled rotamers grouped by the number of gauche bonds and steric energy. The free energy values calculated from these components show that already at 400 K hexane exists preferentially in conformations containing gauche bonds. For larger chains the free energy advantage for the coiled chains increases very steeply. The implications for the question of reactions of linear alkanes occurring on the surface or inside the channels of small- and medium-pore zeolites are briefly examined. 相似文献
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64.
Wen-Rong Dai 《Journal of Differential Equations》2007,235(1):127-165
In this paper, we study the global existence and the asymptotic behavior of classical solution of the Cauchy problem for quasilinear hyperbolic system with constant multiple and linearly degenerate characteristic fields. We prove that the global C1 solution exists uniquely if the BV norm of the initial data is sufficiently small. Based on the existence result on the global classical solution, we show that, when the time t tends to the infinity, the solution approaches a combination of C1 traveling wave solutions. Finally, we give an application to the equation for time-like extremal surfaces in the Minkowski space-time R1+n. 相似文献
65.
Incident intensity, defined by the amount of particles deposited per pulse, is an important parameter in the film growth process of pulsed laser deposition (PLD). Different from previous models, we investigate the irreversible and reversible growth processes by using a kinetic Monte Carlo method and find that island density and film morphology strongly depend on pulse intensity. At higher pulse intensities, lots of adatoms instantaneously diffuse on the substrate surface, and then nucleation easily occurs between the moving adatoms resulting in more smaller-size islands. In contrast, at the lower pulse intensities, nucleation event occurs preferentially between the single adatom and existing islands rather than forming new islands, and therefore the average island size becomes larger in this case. Additionally, our results show that substrate temperature plays an important role in film growth. In particular, it can determine the films shape and weaken the effect of pulse intensity on film growth at the lower temperatures by controlling the mobility rate of atoms. Our results can match the related theoretical and experimental results. 相似文献
66.
67.
Thurston proposed that conformal mappings can be approximated by circle packing isomorphisms and the approach can be implemented efficiently. Based on the circle packing methods the rate of convergence of approximating solutions for quasiconformai mappings in the plane is discussed. 相似文献
68.
半个世纪以来,对半导体技术的深入研究和广泛应用推动了电子工业和信息产业的迅速发展。目前半导体技术正向高速度、高集成化方向发展,但这也不可避免地引发了一系列问题,例如电路中能量损耗过大导致集成片发热,如何进一步将电子器件小型化等。人们由此感到半导体器件的能力已基本达到了极限,转而把目光由电子投向了光子,因为光子有着电子所不具备的优势:速度快,彼此间不存在相互作用,一旦实现用光子替代电子传递信息, 相似文献
69.
Novel oxyfluoride glasses are developed with the composition of 30SiO2-15Al2O3-28PbF2-22CdF2-0.1TmF3 - xYbF3 - (4.9 - x) AlF3(x=0, 0.5, 1.0, 1.5, 2.0) in tool fraction, Furthermore, the upconversion luminescence characteristics under a 970nm excitation are investigated. Intense blue, red and near infrared luminescences peaked at 453nm, 476nm, 647nm and 789nm, which correspond to the transitions of Tm^3+: ^1D2 →^3F4, ^1G4 →^3H6, ^1G4 →^3F4, and ^3H4 →^3H6, respectively, are observed. Due to the sensitization of Yb^3+ ions, all the upconversion luminescence intensities are enhanced considerably with Yb^3+ concentration increasing. The upconversion mechanisms are discussed based on the energy matching rule and quadratic dependence on excitation power. The results indicate that the dominant mechanism is the excited state absorption for those upconversion emissions. 相似文献
70.