A Lennard-Jones Embedded-Atom Potential and Its Application to the Study of Melting

The nearest-neighbour Lennard-Jones potential from the embedded-atom method is extended to a form that includes more than nearest neighbours. The model has been applied to study melting with molecular dynamics. The calculated melting point, fractional volume change on melting, heat of fusion and linear coefficients of thermal expansion are in good agreement with experimental data. We have found that the second and third neighbours influence the melting point distinctly.

Development and transition of spiral wave in the coupled Hindmarsh-Rose neurons in two-dimensional space

The dynamics and the transition of spiral waves in the coupled Hindmarsh-Rose (H-R) neurons in two-dimensional space are investigated in the paper. It is found that the spiral wave can be induced and developed in the coupled HR neurons in two-dimensional space, with appropriate initial values and a parameter region given. However, the spiral wave could encounter instability when the intensity of the external current reaches a threshold value of 1.945. The transition of spiral wave is found to be affected by coupling intensity D and bifurcation parameter r. The spiral wave becomes sparse as the coupling intensity increases, while the spiral wave is eliminated and the whole neuronal system becomes homogeneous as the bifurcation parameter increases to a certain threshold value. Then the coupling action of the four sub-adjacent neurons, which is described by coupling coefficient D', is also considered, and it is found that the spiral wave begins to breakup due to the introduced coupling action from the sub-adjacent neurons (or sites) and together with the coupling action of the nearest-neighbour neurons, which is described by the coupling intensity D.

STRUCTURE-ANALYSIS OF MOLTEN CACL2-KCL SYSTEM BY X-RAY-DIFFRACTION

Radial distribution function of CaCl2-KCl (1:2 mol) melt was measured by X-ray scattering of high temperature liquid. The nearest neighbour distances of Ca2+-Cl-, K+-Cl- and Cl--Cl- ionic pairs are 0.278, 0.306 and 0.380 nm, respectively, Discussion on the relation between structure and physicochemical properties in the melt was simply done in this paper.

MULTIVARIATE CLASSIFICATION BASED ON METAL CONTENTS IN HUMAN SENILE CATARACT LENSES

Multivariate classification methods were used to evaluate data on the concentrations of eight metals in human senile lenses measured by atomic absorption spectrometry. Principal components analysis and hierarchical clustering separated senile cataract lenses, nuclei from cataract lenses, and normal lenses into three classes on the basis of the eight elements. Stepwise discriminant analysis was applied to give discriminant functions with five selected variables. Results provided by the linear learning machine method were also satisfactory; the k-nearest neighbour method was less useful.

Myroides profundi sp nov., isolated from deep-sea sediment of the southern Okinawa Trough

A Gram-negative, nonmotile, aerobic and oxidase- and catalase-positive bacterium,, designated D25(T), was isolated from the deep-sea sediments of the southern Okinawa Trough area. Phylogenetic analyses of 16S rRNA gene sequences showed that strain D25(T), fell within the genus Myroides, with 99.2%, 96.0% and 93.4% sequence similarities to the only three recognized species of Myroides. However, the DNA-DNA similarity Value between strain D25(T) and its nearest neighbour Myroides odoratimimus JCM 7460(T) was only 49.9% ( < 70%). Several phenotypic properties could be used to distinguish strain D25(T) from other Myroides species. The main cellular fatty acids of strain D25(T) were iso-C-15:0, iso-C-17:1 omega 9C, iso-C(17:0)3-OH and Summed Feature 3 (comprising C-16:1 omega 7c and/or iso-C(15:0)2-OH). The major respiratory quinone was MK-6. The DNA G+C content was 33.0 mol%. The results of the polyphasic taxonomy analysis suggested that strain D251(T) represents a novel species of the genus Myroides, for which the name Myroides profundi sp. nov. is proposed. The type strain is D25(T) (=CCTCC M 208030(T) = DSM 19823(T)).

First-principles investigation of the electronic structure and magnetism of eskolaite

The electronic structure and magnetism of eskolaite are studied by using first-principles calculations where the on-site Coulomb interaction and the exchange interaction are taken into account and the LSDA+U method is used.The calculated energies of magnetic configurations are very well fitted by the Heisenberg Hamiltonian with interactions in five neighbour shells; interaction with two nearest neighbours is found to be dominant. The Neel temperature is calculated in the spin-3/2 pair-cluster approximation. It is found that the measurements are in good agreement with for the values of U and J that are close to those obtained within the constrained occupation method.The band gap is of the Mott-Hubbard type.

Electrostatic Interactions Between Glycosaminoglycan Molecules

The electrostatic interactions between nearest-neighbouring chondroitin sulfate glycosaminoglycan (CS-GAG) molecular chains are obtained on the bottle brush conformation of proteoglycan aggrecan based on an asymptotic solution of the Poisson-Boltzmann equation the CS-GAGs satisfy under the physiological conditions of articular cartilage. The present results show that the interactions are associated intimately with the minimum separation distance and mutual angle between the molecular chains themselves. Further analysis indicates that the electrostatic interactions are not only expressed to be purely exponential in separation distance and decrease with the increasing mutual angle but also dependent sensitively on the saline concentration in the electrolyte solution within the tissue, which is in agreement with the existed relevant conclusions.

The strength distribution of brittle materials with a high-concentration of cavities

The maximum stress concentration factor in brittle materials with a high concentration of cavities is obtained. The interaction between the nearest cavities, in addition to the far field interactions, is taken into account to evaluate the strength distribution based on the statistical analysis of the nearest distance distribution. Through this investigation, it is found that the interaction between the nearest neighbors is much more important than the far field interactions, and one has to consider it in calculating the strength of brittle materials even if the volume fraction of cavities it contains is small. The other important conclusion is that the maximum stress concentration factor has a wide scattered distribution.

On mechanical properties of metallic glass and its liquid vitrification characteristics

A systematic survey of the available data such as elastic constants, density, molar mass, and glass transition temperature of 45 metallic glasses is conducted. It is found that a critical strain controlling the onset of plastic deformation is material-independent. However, the correlation between elastic constants of solid glass and vitrification characteristics of its liquid does not follow a simple linear relation, and a characteristic volume, viz. molar volume, maybe relating to the characteristic size of a shear transformation zone (STZ), should be involved.

Mechanisms underlying two kinds of surface effects on elastic constants

ABSTRACT Recently, people are confused with two opposite variations of elastic modulus with decreasing size of nano scale sample: elastic modulus either decreases or increases with decreas- ing sample size. In this paper, based on intermolecular potentials and a one dimensional model, we provide a unified understanding of the two opposite size effects. Firstly, we analyzed the mi- crostructural variation near the surface of an fcc nanofilm based on the Lennard-Jones potential. It is found that the atomic lattice near the surface becomes looser in comparison with the bulk, indicating that atoms in the bulk are located at the balance of repulsive forces, resulting in the decrease of the elastic moduli with the decreasing thickness of the film accordingly. In addition, the decrease in moduli should be attributed to both the looser surface layer and smaller coor- dination number of surface atoms. Furthermore, it is found that both looser and tighter lattice near the surface can appear for a general pair potential and the governing mechanism should be attributed to the surplus of the nearest force to all other long range interactions in the pair po- tential. Surprisingly, the surplus can be simply expressed by a sum of the long range interactions and the sum being positive or negative determines the looser or tighter lattice near surface re- spectively. To justify this concept, we examined ZnO in terms of Buckingham potential with long range Coulomb interactions. It is found that compared to its bulk lattice, the ZnO lattice near the surface becomes tighter, indicating the atoms in the bulk located at the balance of attractive forces, owing to the long range Coulomb interaction. Correspondingly, the elastic modulus of one- dimensional ZnO chain increases with decreasing size. Finally, a kind of many-body potential for Cu was examined. In this case, the surface layer becomes tighter than the bulk and the modulus increases with deceasing size, owing to the long range repulsive pair interaction, as well as the cohesive many-body interaction caused by the electron redistribution.

Energy spectrum of two-component Bose-Einstein condensates in optical lattices

With the method of Green's function, we investigate the energy spectra of two-component ultracold bosonic atoms in optical lattices. We End that there are two energy bands for each component. The critical condition of the superfluid-Mott insulator phase transition is determined by the energy band structure. We also find that the nearest neighboring and on-site interactions fail to change the structure of energy bands, but shift the energy bands only. According to the conditions of the phase transitions, three stable superfluid and Mott insulating phases can be found by adjusting the experiment parameters. We also discuss the possibility of observing these new phases and their transitions in further experiments.

Sphingobacterium siyangense sp nov., isolated from farm soil

The taxonomic position of a novel Gram-negative strain, designated Sy1(T), isolated from a farm-soil sample obtained from Jiangsu Province, PR China, was characterized by using a polyphasic approach. The cells were non-motile, non-spore-forming rods. The organism grew optimally at 30-37 degrees C and at pH 6.0-8.0. Based on 16S rRNA gene sequence analysis, strain Sy1(T) is a member of the genus Sphingobacterium; Sphingobacterium multivorum JCM 21156(T) was the nearest relative (98.5% sequence similarity). The predominant fatty acids of strain Sy1T were isoC15:0 (32.90/o), C16:0 (10.9%) and summed feature 3 (iso-C-15:0 2-OH and/or C-16:1 omega 7c; 24.1%). The DNA G + C content was 38.5 mol%. The low level of DNA-DNA relatedness (2.2 %) to S. multivorum JCM 21156 T in combination with differential morphological and biochemical properties demonstrated that strain SY1(T) (=KCTC 22131(T)= CGMCC 1.6855(T)) should be classified as representing a novel species of the genus Sphingobacterium for which the name Sphingobacterium siyangense sp. nov. is proposed.

Foraging habitats and utilization distributions of Black-necked Cranes wintering at the Napahai Wetland, China

One of the most endangered populations of Black-necked Cranes (Grus nigricollis), the central population, is declining due to habitat loss and degradation, but little is known about their space use patterns and habitat preferences. We examined the space use and habitat preferences of Black-necked Cranes during the winter of 2007-2008 at the Napahai wetland in northwest Yunnan, China, where approximately 300 Black-necked Cranes (>90% of the total central population) spent the winter. Euclidean distance analysis was employed to determine the habitat preferences of Black-necked Cranes, and a local nearest-neighbor, convex-hull construction method was used to examine space use. Our results indicate that Black-necked Cranes preferred shallow marsh and wet meadow habitats and avoided farmland and dry grassland. Core-use areas (50% isopleths) and total-use areas (100% isopleths) accounted for only 1.2% and 28.2% of the study area, respectively. We recommend that habitat protection efforts focus on shallow marsh and wet meadow habitats to maintain preferred foraging sites. Core-use areas, such as the primary foraging areas of Black-necked Cranes, should be designated as part of the core zone of the nature reserve. Monthly shifts in the core-use areas of the cranes also indicate that the reserve should be large enough to permit changes in space use. In addition to preserving habitat, government officials should also take measures to decrease human activity in areas used by foraging Black-necked Cranes.

Temporal and Spatial Distributions of Rotifers in Xiangxi Bay of the Three Gorges Reservoir, China

From July 2003 to June 2005, investigations of rotifer temporal and spatial distributions were carried out in a bay of the Three Gorges Reservoir, Xiangxi Bay, which is the downstream segment of the Xiangxi River and the nearest bay to the Three Gorges Reservoir dam in Hubei Province, China. Thirteen sampling sites were selected. The results revealed a high species diversity, with 76 species, and 14 dominant species; i.e., Polyarthra vulgaris, Keratella cochlearis, Keratella valga, Synchaeta tremula, Synchaeta stylata, Trichocerca lophoessa, Trichocerca pusilla, Brachionus angularis, Brachionus calyciflorus, Brachionus forficula forficula, Ascomorpha ovalis, Conochilus unicornis, Ploesoma truncatum and Anuraeopsis fissa. After the first year of the reservoir impoundment, the rotifer community was dominated by ten species; one year later it was dominated by eight species. The community in 2003/2004 was dissimilar to that in 2004/2005, which resulted from the succession of the dominant species. The rotifer community exhibited a patchy distribution, with significant heterogeneity observed along the longitudinal axis. All rotifer communities could be divided into three groups, corresponding to the riverine, the transition and the lacustrine zone, respectively.

Molecular systematics of medusae in the genus Craspedacusta (Cnidaria: Hydrozoa: Limnomedusae) in China with the reference to the identity of species

The objective of this study was to illustrate the phylogenetic relationship of the species in the genus Craspedacusta in China. The medusae samples were collected at 28 localities in China representing seven described species with their entire ITS region (the contiguous sequences of ITS-1, 5.8S and ITS-2 rDNA) rDNA sequences cloned. Among the 28 samples, the range of sequence variation in the complete ITS and 5.8S region was between 0 and 36.2%. Three main clades were revealed by both maximum likelihood and neighbour-joining trees, with sequence difference of 0-0.9, 0-3.7 and 0.1-1.5% in the three clades. The nesting of C. xinyangensis representatives within C. sowerbii, C. brevinema within C. sinensis and C. sichuanensis within C. kiatingi is strongly supported, with interspecific sequence divergence of 0-0.9, 0.1-1.4 and 0.0-0.4%, respectively. Thus, it is suggested that C. xinyangensis should be the synonym of C. sowerbii, C. sichuanensis the synonym of C. kiatingi and C. brevinema the synonym of C. sinensis. However, the taxonomic status of C. ziguiensis is still uncertain. According to the tree topology, C. kiatingi was closer to C. sowerbii than to C. sinensis. Craspedacusta sinensis was the most genetically distinct from distance matrix values, and located at the base of the phylogenetic trees, so it can be speculated that the C. sinensis may be the ancestral form in the genus Craspedacusta.