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31.
We present all-atom molecular dynamics simulations ofn-hexane on the basal plane of graphite at monolayer and multilayer coverages. In keeping with experimental data, we find the
presence of ordered adsorbed layers both at single monolayer coverage and when the adsorbed layer coexists with excess liquid
adsorbate. Using a simulation method that does not impose any particular periodicity on the adsorbed layer, we quantitatively
compare our results to the results of neutron diffraction experiments and find a structural transition from a uniaxially incommensurate
lattice to a fully commensurate structure on increasing the coverage from a monolayer to a multilayer. The zig-zag backbone
planes of all the alkane molecules lie parallel to the graphite surface at the multilayer coverage, while a few molecules
are observed to attain the perpendicular orientation at monolayer coverage.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献
32.
莱钢特钢厂20CrMnTiH钢材成分波动较大,淬透性带HRC8~10,范围较大,制约了齿轮钢质量的进一步提高.通过研究,发现铸坯中心偏析尤其是碳偏析为主要问题.通过工艺优化采取各项措施,尤其增加电磁搅拌后,中心碳偏析得到明显改善;C控制在0.19%~0.20%的炉次达到了95.6%;淬透性带控制在HRC6内的达到了92.1%;在HRC4内的达到了86.2%;提高了产品质量,满足了用户需求. 相似文献
33.
素质教育在剑桥商务英语教学中的应用 总被引:1,自引:0,他引:1
在高等教育中,素质教育已经成为中国教育改革和人才培养的指导思想。只有重视素质教育,使科学教育与素质教育整合,才能培养出高科技与高素质相结合的专门人才服务于社会。剑桥商务英语教学中应用素质教育极大的提高了教学效果。通过应用素质教育,培养学生在掌握商务英语基本概念和词汇的基础上,提高学生解决实际商务问题的能力,引导他们全面地、辩证地思考问题,引导他们把书本知识和社会实践联系起来,重视实际斗争经验。 相似文献
34.
R. Pizzoferrato L. Lagonigro T. Ziller A. Di Carlo R. Paolesse F. Mandoj A. Ricci C. Lo Sterzo 《Chemical physics》2004,300(1-3):217-225
We study the infrared emission at 1.54 μm of an organolanthanide complex, Er(III)-tetraphenylporphyrin [Er(TPP)acac], both as a result of direct optical excitation and via energy transfer from host π-conjugate polymers of type poly(arylene–ethynylene) [PAE]. In the first case, the emission of the neat complex is characterized in inert transparent materials and a value of the quantum yield at 1.54 μm φIR=4×10−4 is measured. Then, fluorescence resonance transfer is investigated in blends of Er(TPP)acac with PAEs by monitoring the quenching of the polymer fluorescence along with the enhancement of both the visible emission of the ligand and the near-infrared band of Er3+. These different procedures allow a detailed analysis of the transfer efficiency within a specific implementation of the Förster model for polymeric donors. The experimental values of the critical radius R0, ranging from 1.3 to 2.5 nm for the different blends, are in good agreement with theory for a wide interval of the physical and spectroscopic parameters. This suggests that other mechanisms for excitation transfer do not play a significant role in these materials. 相似文献
35.
36.
We have simultaneously used adsorption isotherm volumetry and Fourier transform infrared spectroscopy in order to take the investigations on amorphous ice structure a step further, especially concerning porosity and annealing-induced modifications. We have studied surface reorganization during annealing and found that the number of surface sites decreases before crystallization, their relative ratios being different for amorphous and crystalline ice. We also present results confirming that ice can have a large specific surface area and nevertheless be non-microporous. 相似文献
37.
38.
郎炜 《科技情报开发与经济》2007,17(13):259-260
介绍了热量计量的基本原理和热费确定的基本原则,阐述了供热总费用的构成与计算原理以及用户热费的构成与计算原理。 相似文献
39.
40.
N. A. Anurova V. A. Blatov G. D. Ilyushin O. A. Blatova A. K. Ivanov-Shitz L. N. Demyanets 《Crystallography Reports》2008,53(6):930-936
A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition
of crystal space, and 822 structurally characterized ternary compounds Li
p
X
q
O
r
were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel
systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers
of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite
channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes,
and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs,
respectively).
Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008,
published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993. 相似文献