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Luoyang, China

Wang F.,Luoyang Normal University
Journal of Global Optimization | Year: 2011

Recently, Xu (J Glob Optim 36:115-125 (2006)) introduced a regularized proximal point algorithm for approximating a zero of a maximal monotone operator. In this note, we shall prove the strong convergence of this algorithm under some weaker conditions. © Springer Science+Business Media, LLC. 2010. Source

Liu Z.-L.,Luoyang Normal University
Computer Physics Communications | Year: 2014

The algorithm and testing of the Multi-algorithm-collaborative Universal Structure-prediction Environment (Muse) are detailed. Presently, in Muse I combined the evolutionary, the simulated annealing, and the basin hopping algorithms to realize high-efficiency structure predictions of materials under certain conditions. Muse is kept open and other algorithms can be added in future. I introduced two new operators, slip and twist, to increase the diversity of structures. In order to realize the self-adaptive evolution of structures, I also introduced the competition scheme among the ten variation operators, as is proved to further increase the diversity of structures. The symmetry constraints in the first generation, the multi-algorithm collaboration, the ten variation operators, and the self-adaptive scheme are all key to enhancing the performance of Muse. To study the search ability of Muse, I performed extensive tests on different systems, including the metallic, covalent, and ionic systems. All these present tests show that Muse has very high efficiency and 100% success rate. © 2014 Elsevier B.V. All rights reserved. Source

Wang W.,Luoyang Normal University
Journal of Physical Chemistry A | Year: 2011

The Cambridge Structure Database search shows that there are over seventy crystal structures containing halogen bonds in which hypervalent halogens, not monovalent halogens as usual, behave as acceptors of electron density. The nature of the halogen bond involving hypervalent halogen has been investigated by using several theoretical methods with different basis sets. The HF calculations for the complexes studied cover most of their binding energies, which indicates the electrostatic nature of the halogen bond involving hypervalent halogen. The MP2 methods with medium basis sets fail to predict the relative strength of the halogen bond involving hypervalent halogen and the corresponding halogen bond involving monovalent halogen. Accurate computational results show that the halogen bond involving hypervalent halogen may be weaker than the corresponding halogen bond involving monovalent halogen even in the case that the hypervalent halogen is more positively charged than the monovalent halogen, the reasons of which were discussed in some detail. In comparison with the halogen bond involving monovalent halogen, the bonding characteristic and electron-density transfer of the halogen bond involving hypervalent halogen were also analyzed with the "atoms in molecules" theory and the natural bond orbital theory. © 2011 American Chemical Society. Source

Feng H.Q.,Luoyang Normal University | Wang J.M.,Luoyang Normal University
Astrophysical Journal | Year: 2015

Interplanetary coronal mass ejections (ICMEs) often show unusual plasma compositional signatures (high He/P ratio, high ratio, and high Fe charge states), and their enhanced charge states of oxygen and iron are caused by flare-related heating in the corona. We investigated the abnormal plasma composition of small interplanetary magnetic flux ropes (IMFRs) in terms of He/P ratio, ratio, and mean Fe charge state. We discover that 18 of the 24 small IMFRs showed high He/P ratios. In addition, 12 and 8 of the 24 events showed high Fe charge states and ratios, respectively. This observation implies that these small IMFRs and ICMEs may be caused by the same coronal eruptions. © 2015. The American Astronomical Society. All rights reserved.. Source

The solubility of 2,4-dichlorophenoxyacetic acid in toluene, tetrachloromethane and the binary solvent mixtures of (cyclohexane + ethyl acetate) was determined from 293.15 K to 341.05 K using a synthetic method. Modified Apelblat and polynomial empirical equations were proposed to correlate the experimental solubility data. The fusion point temperature and enthalpy of fusion were determined by DSC. In addition, activity coefficients of 2, 4-dichlorophenoxyacetic acid, enthalpies of dissolution of the resulting solutions were estimated. © 2013 Elsevier B.V. All rights reserved. Source

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