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371.
We have performed total-energy calculations to study theoretical scanning tunneling microscopy (STM) images of the Si(1 1 1)3 × 2 surfaces induced by the adsorption of alkaline-earth metals (AEMs). Previously, in a series of works on Ba/Si(1 1 1) system, we have found that the observed Si(1 1 1)3 × 1-Ba LEED phase indeed has a 3 × 2 periodicity with a Ba coverage of 1/6 ML and the HCC substrate structure. Based on results of the Ba case, we proposed that the HCC structure is also adopted for other AEM atoms, which was confirmed by our recent work. In this paper, we mainly report the STM simulations for different AEM systems to compare with existing experimental data. We discuss the difference in the detailed STM images for different AEM adsorbates. Especially, the difference in filled-state images between Mg and other AEM atoms is attributed to the strong Mg-Si interaction. 相似文献
372.
对用索氏提取法和乙醇浸取法提取红景天红色素进行了比较,并探讨浸取的浓度,浸取温度等因素,指出了最佳生产工艺条件,从红景天中提取的天红色素是一种安全无毒的食用色素,本文还研究了几种食品添加剂对红景天红色素稳定性的影响,并对色素的耐氧化性进行了探讨,旨在为红景天红色素的开发利用提供有实用价值的信息。 相似文献
373.
A new microtensile tester for the study of MEMS materials with the aid of atomic force microscopy 总被引:4,自引:0,他引:4
An apparatus has been designed and implemented to measure the elastic tensile properties (Young's modulus and tensile strength)
of surface micromachined polysilicon specimens. The tensile specimens are “dog-bone” shaped ending in a large “paddle” for
convenient electrostatic or, in the improved apparatus, ultraviolet (UV) light curable adhesive gripping deposited with electrostatically
controlled manipulation. The typical test section of the specimens is 400 μm long with 2 μm×50 μm cross section. The new device
supports a nanomechanics method developed in our laboratory to acquire surface topologies of deforming specimens by means
of Atomic Force Microscopy (AFM) to determine (fields of) strains via Digital Image Correlation (DIC). With this tool, high
strength or non-linearly behaving materials can be tested under different environmental conditions by measuring the strains
directly on the surface of the film with nanometer resolution. 相似文献
374.
We further study the validity of the Monte Carlo Hamiltonian method. The advantage of the method,in comparison with the standard Monte Carlo Lagrangian approach, is its capability to study the excited states. Weconsider two quantum mechanical models: a symmetric one V(x) = |x|/2; and an asymmetric one V(x) = ∞, forx < 0 and V(x) = x, for x ≥ 0. The results for the spectrum, wave functions and thermodynamical observables are inagreement with the analytical or Runge-Kutta calculations. 相似文献
375.
J. Fülöp 《Mathematical Methods of Operations Research》1991,35(1):1-13
This paper shows that any linear disjunctive program with a finite number of constraints can be transformed into an equivalent facial program. Based upon linear programming technique, a new, finite cutting plane method is presented for the facial programs.
Zusammenfassung Die Arbeit zeigt, daß jedes lineare disjunktive Optimierungsproblem mit endlich vielen Restriktionen in ein äquivalentes Fazetten-Problem transformiert werden kann. Auf der Grundlage von linearer Optimierungstechnik wird für das Fazetten-Problem ein neues, endliches Schnittebenenverfahren vorgestellt.相似文献
376.
Ana L. Montero Luis A. Montero Ricardo Martínez S. Spange 《Journal of Molecular Structure》2006,770(1-3):99-106
A quantum chemical model (Abinitio HF-MO and DFT-B3LYP) of polyfurfuryl alcohol crosslinking is shown. Two pathways were considered: (a) a Diels–Alder (D–A) reaction between a dihydrofuran moiety and a furan ring; (b) the addition reaction of electrophilic specimens on conjugated double bonds. The ability for the formation of D–A adducts (dienes and dienophiles) was investigated by the frontier molecular orbital (FMO) theory. Energy gaps between the FMO's of diene and dienophile structures suggest that the occurrence of the D–A reaction is possible. The results suggest that the carbons of the exo double bonds attached to dihydrofuran rings are the sites most likely to be attacked by electrophilic species, while the C3 and C4 atoms display the opposite tendency due to their low HOMO electron densities. Results of a thermochemical approach to these reactions at the MP2 level was in agreement with reactivity modelled by MO predictions. 相似文献
377.
用随机模糊方法研究合理确定工程项目工期 总被引:1,自引:0,他引:1
谢忠镖 《数学的实践与认识》2006,36(10):41-45
站在兼顾业主与建造商的公正立场,基于网络优化技术基础上并以系统的观点,采用随机模糊数学方法研究合理确定项目工期,进而用实际项目进行分析验证,是一种科学合理确定工期的方法. 相似文献
378.
通过分析双层线性规划可行域的结构特征和全局最优解在约束域的极点上达到这一特性,对单纯形方法中进基变量的选取法则进行适当修改后,给出了一个求解双层线性规划局部最优解方法,然后引进上层目标函数对应的一种割平面约束来修正当前局部最优解,直到求得双层线性规划的全局最优解.提出的算法具有全局收敛性,并通过算例说明了算法的求解过程. 相似文献
379.
A. Borgschulte R. Gremaud S. de Man R.J. Westerwaal J.H. Rector B. Dam R. Griessen 《Applied Surface Science》2006,253(3):1417-1423
The optical properties, the switching kinetics and the lifetime of hydrogen switchable mirrors based on Mg-Ni alloys are determined with particular regard to the composition of the optically active metal-hydride layer in combination with the thickness of the catalytic capping layer. For this, a high-throughput experiment is introduced. The switching kinetics and the reversibility of switchable mirrors are strongly thickness dependent, though the details hinge on the fine structure of the clustered capping layer. Therefore, the kinetics is correlated with the surface structures of Pd on MgyNi1−y as investigated by scanning tunneling microscopy. The results are explained by the so-called strong metal-support interaction (SMSI) state, characterized by a complete encapsulation of the capping layer clusters by oxidized species originating from the support. The SMSI-effect is less important with increasing Pd-layer thickness, and is suppressed by a good wetting of the Pd-clusters on the optically active film. This explains the critical thickness for the catalyzed hydrogen uptake observed in many switchable mirror systems. Moreover, the degradation of the kinetics during cycling is found to depend on the Pd-layer thickness and on the gas environment. Only films, covered with at least 15 nm Pd, show small degradation caused by the SMSI-effect. The SMSI-effect is partly reversible: after changing the gas environment from hydrogen to oxygen, the oxide on the Pd-clusters can be partly removed. 相似文献
380.
Wei‐Ling Wang Jian‐Wei Xu Yee‐Hing Lai 《Journal of polymer science. Part A, Polymer chemistry》2006,44(13):4154-4164
Bipyridinophane–fluorene conjugated copolymers have been synthesized via Suzuki and Heck coupling reactions from 5,8‐dibromo‐2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane and suitable fluorene precursors. Poly[2,7‐(9,9‐dihexylfluorene)‐co‐alt‐5,8‐(2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane)] ( P7 ) exhibits large absorption and emission redshifts of 20 and 34 nm, respectively, with respect to its planar reference polymer Poly[2,7‐(9,9‐dihexylfluorene)‐co‐alt‐1,4‐(2,5‐dimethylbenzene)] ( P11 ), which bears the same polymer backbone as P7 . These spectral shifts originate from intramolecular aromatic C? H/π interactions, which are evidenced by ultraviolet–visible and 1H NMR spectra as well as X‐ray single‐crystal structural analysis. However, the effect of the intramolecular aromatic C? H/π interactions on the spectral shift in poly[9,9‐dihexylfluorene‐2,7‐yleneethynylene‐co‐alt‐5,8‐(2,11‐dithia[3]paracyclo[3](4,4′)‐2,2′‐bipyridinophane)] ( P10 ) is much weaker. Most interestingly, the quenching behaviors of these two conjugated polymers are largely dependent on the polymer backbone. For example, the fluorescence of P7 is efficiently quenched by Cu2+, Co2+, Ni2+, Zn2+, Mn2+, and Ag+ ions. In contrast, only Cu2+, Co2+, and Ni2+ ions can partially quench the fluorescence of P10 , but much less efficiently than the fluorescence of P7 . The static Stern–Volmer quenching constants of Cu2+, Co2+, and Ni2+ ions toward P7 are of the order of 106 M?1, being 1300, 2500, and 37,300 times larger than those of P10 , respectively. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 4154–4164, 2006 相似文献