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21.
The linear ordering problem is an NP-hard combinatorial problem with a large number of applications. Contrary to another very popular problem from the same category, the traveling salesman problem, relatively little space in the literature has been devoted to the linear ordering problem so far. This is particularly true for the question of developing good heuristic algorithms solving this problem.In the paper we propose a new heuristic algorithm solving the linear ordering problem. In this algorithm we made use of the sorting through insertion pattern as well as of the operation of permutation reversal. The surprisingly positive effect of the reversal operation, justified in part theoretically and confirmed in computational examples, seems to be the result of a unique property of the problem, called in the paper the symmetry of the linear ordering problem. This property consists in the fact that if a given permutation is an optimal solution of the problem with the criterion function being maximized, then the reversed permutation is a solution of the problem with the same criterion function being minimized. 相似文献
22.
Molar excess mixing enthalpies h
E
, Gibbs free energies g
E
and hence entropies s
E
have been obtained using calorimetry and the vapor sorption method at 25°C for hexane isomers+2,2,4,4,6,8,8-heptamethylnonane, a highly branched C
16
. The h
E
and g
E
are negative while Ts
E
are positive, but small. The values are explained by the Prigogine-Flory theory through negative free volume contributions to h
E
and Ts
E
, counterbalanced in the case of Ts
E
by the positive combinatiorial Ts
E
for mixing molecules of different size. No contribution is seen from the interaction between methyl and methylene groups. The excess quantities are also obtained for hexane and heptane isomers mixed with n-hexadecane. Values of h
E
and Ts
E
are now strongly positive, while those of g
E
are only slightly less negative. The interpretation requires two recently advanced contributions in addition to those of the Prigogine-Flory theory: 1) a decrease of order when correlations of orientations between n-C
16
molecules in the pure liquid are replaced in the solution by weaker correlations whose strengths depend on the shapes of the lower alkane isomers. For lower alkane isomers of the same shape, but highly sterically hindered, h
E
and Ts
E
are small, manifesting, 2) a negative contribution, ascribed to a rotational ordering of n-C
16
segments on the sterically-hindered molecule. Enthalpy-entropy compensation is observed for these new contributions, arising from their rapid fall-off with increase of temperature. 相似文献
23.
We have prepared polycrystalline samples of Sr3YCo4O10.56, Sr2.4Ca0.6YCo4O10.54, and Sr3YCo3.76Mn0.24O10.59, and found that these materials show unusual impurity effects on their transport and magnetic properties. A tiny amount of impurities such as Mn or Ca suppresses room-temperature ferromagnetism of Sr3YCo4O10.56. With the suppression, their resistivities and thermopowers are also dramatically changed. We propose that the unusual impurity effects are caused by the suppression of orbital ordering. 相似文献
24.
A family of layered bismuth oxyhalides, LI0.5Bi1.5O2X and LIIBiO2X has been reinvestigated. Formation of X1-type Sillén compounds has been established for LI=Li, Na, LII=Ca, Sr, Ba, and X=Cl, Br, I, but the details of their crystal structures are different. While all LI0.5Bi1.5O2X, CaBiO2Br, and CaBiO2I adopt the disordered tetragonal Nd2O2Te structure, all compounds of LII=Sr and Ba are orthorhombic and isostructural to PbSbO2Cl, due to L/Bi cation ordering. Crystal structures have been determined for CaBiO2I, SrBiO2Br, SrBiO2I, and BaBiO2I. We discuss the factors which determine the occurrence and type of cation ordering in the quaternary bismuth and antimony X1-type oxyhalides. We also predict that more isostructural compounds can be prepared with antimony. 相似文献
25.
对于NO分子轨道的能级次序现有两种不同的说法,不少人根据NO与O_2~+是等电子体,由O_2~+分子的能级次序确定NO分子组态。本文用NO和O_2~(+)从头计算结果以及NO的紫外光电子能谱相结合的方法说明NO的5σ轨道是弱成键轨道,5σ的轨道能稍高于1π轨道能,也就是说NO的能级次序是与N_2分子相同的;NO与O_2~+虽是等电子体,但是能级次序并不相同,因此由O_2~+的能级次序确定NO分子的电子组态是不妥的。 相似文献
26.
Ordered aggregation of thiol-passivated Au nanoparticles in a diblock copolymer polystyrene-b-poly(methyl methacrylate) has been observed. The morphology of the diblock copolymer/Au-nanocomposite was dependent on the composition of the thiol modifier. For the thiol modifier that does not preferentially interact with one of the blocks, a perpendicular (relative to the substrate) lamellar morphology is maintained. However, for a thiol with a surfactant structure similar to one of the blocks, we observed a parallel lamellar morphology and speculate that the nanoparticles have localized at the microdomain interface. These conclusions are based on transmission electron microscopy, angle-dependent X-ray photoelectron microscopy and tensiometry. These results are consistent with theoretical predictions on the hybrid systems composed of block copolymers and nanoparticles. 相似文献
27.
Christopher J. Howard Gregory R. Lumpkin Ronald I. Smith 《Journal of solid state chemistry》2004,177(8):2726-2732
The distribution of A-site cations in the perovskite system LaxSr1−3x/2TiO3 depends on the concentration of La3+ ions and associated vacancies. For small x (x?0.2), the substitutions are expected to be random. For x?0.55, the cations are ordered in such a way that successive layers of A-sites are occupied to greater and lesser degree, and this ordering drives a tetragonal distortion. For x from about 0.3 to 0.5, the X-ray patterns show diffuse peaks indicative of similar ordering, but this is not long-range order and no tetragonal distortion results. The lower temperature structures also exhibit out-of-phase tilting of the TiO6 octahedra, setting in at temperatures varying linearly with composition from 105 K for x=0, to about 650 K at x=2/3. 相似文献
28.
The temperature dependence of the paramagnetic susceptibility χm(T) taken in 2500 Oe, the resistivity ρ(T), and the thermoelectric power α(T) of DyBaCo2O5+x, which has Ba and Dy ordered into alternate (001) planes of an oxygen-deficient perovskite, have revealed a phase segregation in the compositional range 0.3?x<0.5. Orthorhombic DyBaCo2O5.51 has, in addition, oxygen vacancies ordered into alternate rows of the DyO0.51 (001) planes; a cold-pressed polycrystalline sample exhibits a first-order insulator-metal transition at TIM=320 K, a Curie temperature TC=300 K, and a broadened metamagnetic transition temperature TM≈265 K in 2500 Oe. A ferromagnetic M-H hysteresis curve fails to saturate at 5 T, and a minority ferromagnetic phase below TM has a volume fraction that decreases with decreasing temperature, vanishing below 50 K. Oxygen vacancies in the DyBaCo2O5.5 phase suppress the metallic state; interstitial oxygen does not. A thermoelectric power α(T)>0 of DyBaCo2O5.51 changing continuously across TIM is interpreted to manifest a metallic minority phase crossing a percolation threshold; α(T) also provides evidence for a progressive excitation of higher-spin Co(III) with increasing temperature from below 50 K to above TIM. A previous model of the RBaCo2O5.5 phase is extended to account for the Ising spin configuration below TC, the magnetic order in the presence of higher-spin octahedral-site Co(III), and the α(T) data. 相似文献
29.
30.
Sumio Kato Masataka Ogasawara Mikio Sugai Shinichi Nakata 《Catalysis Surveys from Asia》2004,8(1):27-34
Studies on the role of oxygen vacancy in structural change of nonstoichiometric perovskites and a property of oxygen-deficient perovskite-related K2NiF4 compounds are reviewed.The structural changes on which the authors focused are cation ordering and lattice distortion. The relationship between the distortion and oxygen vacancy was investigated by comparing the structures of Sr2(Sr1-xMx)TaO6-d (M = Ca2+ and Nd3+) solid solutions. It was found that distortion of a perovskite-type lattice decreased with an increasing amount of oxygen vacancies. In order to investigate the relationship between the cation ordering on octahedral sites and oxygen vacancy, structures of stoichiometric Sr2-xLaxCo1-yTa1+yO6 and oxygen-deficient Sr2-xLaxMg1-yTa1+yO6-d solid solutions were compared. The authors' work reveals that the cation ordering affects the amount of oxygen vacancies in addition to cation charge and size. 相似文献