Local similarity in organic crystals and the non-uniqueness of X-ray powder patterns

Two new concepts for molecular solids, 'local similarity' and 'boundary-preserving isometry', are defined mathematically and a theorem which relates these concepts is formulated. 'Locally similar' solids possess an identical short-range structure and a 'boundary-preserving isometry' is a new mathematical operation on a finite region of a solid that transforms mathematically a given solid to a locally similar one. It is shown further that the existence of such a 'boundary-preserving isometry' in a given solid has infinitely many 'locally similar' solids as a consequence. Chemical implications, referring to the similarity of X-ray powder patterns and patent registration, are discussed as well. These theoretical concepts, which are first introduced in a schematic manner, are proved to exist in nature by the elucidation of the crystal structure of some diketopyrrolopyrrole (DPP) derivatives with surprisingly similar powder patterns. Although the available powder patterns were not indexable, the underlying crystals could be elucidated by using the new technique of ab initio prediction of possible polymorphs and a subsequent Rietveld refinement. Further ab initio packing calculations on other molecules reveal that 'local crystal similarity' is not restricted to DPP derivatives and should also be exhibited by other molecules such as quinacridones. The 'boundary-preserving isometry' is presented as a predictive tool for crystal engineering purposes and attempts to detect it in crystals of the Cambridge Structural Database (CSD) are reported.

Inhomogeneous broadening, luminescence origin and optical amplification in bismuth-doped glass

Absorption and luminescence spectra and optical amplification in bismuth-doped germanate silicate glass were investigated. Two kinds of bismuth ion valence states could exist in the glass. One is Bi2+, which has shown red luminescence, another might be Bi+, which is the active center for infrared luminescence. The infrared luminescence excited at 700, 800, and 980 nm should be ascribed to the electronic transition P-3(1) --> P-3(0) of Bi+ ions in three distinct sites. The shifting, broadening, and multiple configuration of the luminescence could be due to the randomly disorder of local environment and multiple sites of the active centers. In this glass, obvious optical amplification was realized at 1300 nm wavelength when excited at 808 and 980 nm, respectively.

Biotransfer of persistent organic pollutants from a large site in China used for the disassembly of electronic and electrical waste

Samples of groundwater, river water, river sediment, paddy soil, rice seeds, hen eggs, fish, umbilical cord blood, and newborn meconium were collected from October 2002 to October 2003 near a large site in China used for the disassembly of obsolete transformers and other electronic or electrical waste. Six indicator PCB congeners, three non-ortho dioxin-like PCB congeners, and six organochlorine pesticides were determined in the samples by GC with electron capture detector. The results demonstrated that the local environment and edible foods had been seriously polluted by toxic PCBs and organochlorine pesticides. The actual daily intakes (ADIs) of these pollutants were estimated for local residents living in the area. The intake data showed that the contents of PCBs in these local residents were substantial, as the ADI estimates greatly exceed the reference doses set by the World Health Organization and the United States Agency for Toxic Substances and Disease Registry. The presence of the indicator PCB congeners in the cord blood and the meconium samples, as well as significant correlations (r(2) > 0.80, p < 0.05) between these levels, suggests a potential biotransfer of these indicators from mothers to their newborns. This preliminary study showed that obsolete transformers and other electronic or electrical waste can be an important source for the emission of persistent organic pollutants into the local environment, such as through leakage, evaporation, runoff, and leaching. Contamination from this source appears to have reached the level considered to be a serious threat to environmental and human health around the disassembly site.

Analysis and numerical simulation of eigenmode characteristics for semiconductor lasers with an equilateral triangle micro-resonator

The eigenmodes confined in the equilateral triangle resonator (ETR) are analyzed by deriving the eigenvalues and the mode field distributions and by the finite difference time domain (FDTD) technique. The analytical results show that the one-period-length for the mode light rays inside the ETR is the perimeter of the ETR, and the number of transverse modes is limited by the condition of total internal reflection. In addition, the sum of the longitudinal mode index and the transverse mode index should be an even number, which limits the number of confined modes again. Based on the FDTD technique and the Pade approximation, we calculate the mode resonant frequencies and the quality factors from the local maximum and the width of the spectral distribution of the intensity The numerical results of mode frequencies agree very well with the analytical results, and the quality factor of the fundamental mode is usually higher than that of the higher order transverse modes. The results show that the ETR is suitable to realize single-made operation as semiconductor microcavity lasers.

Strain gradient theory based on a new framework of non-local model

A new framework of non-local model for the strain energy density is proposed in this paper. The global strain energy density of the representative volume element is treated as a non-local variable and can be obtained through a special integral of the local strain energy density. The local strain energy density is assumed to be dependent on both the strain and the rotation-gradient. As a result of the non-local model, a new strain gradient theory is derived directly, in which the first and second strain gradients, as well as the triadic and tetradic stress, are introduced in the context of work conjugate. For power law hardening materials, size effects in thin metallic wire torsion and ultra-thin cantilever beam bend are investigated. It is found that the result predicted by the theoretical model is well consistent with the experimental data for the thin wire torsion. On the other hand, the calculation result for the micro-cantilever beam bend clearly shows the size effect.

Interface delamination of the thermal barrier coating subjected to local heating

To investigate the possible failure modes of the thermal barrier coating (TBC) used to protect the scramjet combustion chamber, the local heating via laser beam irradiation was utilized to simulate the service condition of high thermal flux and high temperature gradient. Firstly, the experimental method and process were described and the typical fracture morphology of the TBC under test were provided. Then, the theoretical and finite element modeling were carried out to study the temperature, deformation and stresses of the specimen when the top ceramic coat was subjected to local heating, and to demonstrate the mechanism on the failure of the TBC. It is revealed that the interface delamination shall appear and ultimately lead to the failure of the TBC under such thermal loading of local quick heating. According to the outcome of this study, the driving force of the interface delamination is influenced greatly by the key structural parameters and performance matching. Moreover, by utilizing the rules of the effects of these parameters on the fracture driving force, there is some possibility for the designer to optimize the performances of the TBC.

Climate change, sea level rise and integrated coastal zone management: An IPCC approach

Expansion of economic activities, urbanisation, increased resource use and population growth are continuously increasing the vulnerability of the coastal zone. This vulnerability is now further raised by the threat of climate change and accelerated sea level rise. The potentially severe impacts force policy-makers to also consider long-term planning for climate change and sea level rise. For reasons of efficiency and effectiveness this long-term planning should be integrated with existing short-term plans, thus creating an Integrated Coastal Zone Management programme. As a starting point for coastal zone management, the assessment of a country's or region's vulnerability to accelerated sea level rise is of utmost importance. The Intergovernmental Panel on Climate Change has developed a common methodology for this purpose. Studies carried out according to this Common Methodology have been compared and combined, from which general conclusions on local, regional and global vulnerability have been drawn, the latter in the form of a Global Vulnerability Assessment. In order to address the challenge of coping with climate change and accelerated sea level rise, it is essential to foresee the possible impacts, and to take precautionary action. Because of the long lead times needed for creating the required technical and institutional infrastructures, such action should be taken in the short term. Furthermore, it should be part of a broader coastal zone management and planning context. This will require a holistic view, shared by the different institutional levels that exist, along which different needs and interests should be balanced.

XAFS at Eu-L-3 edge and UV-VUV excited luminescence of europium doped strontium borophosphate prepared in air

The local structure and the valences of europium in SrBPO5:Eu prepared in air were checked by means of XAFS at Eu-L-3 edge. From the EXAFS results, it was discovered that the doped europium atoms were nine-coordinated by oxygen atoms and the distances of bond Eu-O were 2.42 Angstrom in the host. From the XANES data, it was found that the divalent and trivalent europium coexisted in the matrix. The emission spectra excited by VUV or UV exhibited a prominent broad band due to the 4f(6)5d-4f(7) transition of Eu2+ ions, which indicated that the trivalent europium ions were reduced in air in the matrix at high temperature by the defects [V-Sr]" formed by aliovalent substitution between Sr2+ and Eu3+ ions. The VUV excitation spectra in 100-200 nm range showed that the matrix had absorption bands with the maxima at about 130 and 150 nm, respectively.

Burrowing rodents as ecosystem engineers: the ecology and management of plateau zokors Myospalax fontanierii in alpine meadow ecosystems on the Tibetan Plateau

1. Plateau zokors, Myospalax fontanierii, are the only subterranean herbivores on the Tibetan plateau of China. Although the population biology of plateau zokors has been studied for many years, the interactions between zokors and plants, especially for the maintenance and structure of ecological communities, have been poorly recognized. In the past, plateau zokors have been traditionally viewed as pests, competitors with cattle, and agents of soil erosion, thus eradication programmes have been carried out by local governments and farmers. Zokors are also widely and heavily exploited for their use in traditional Chinese medicine.2. Like other fossorial animals, such as pocket gophers Geomys spp. and prairie dogs Cynomys spp. in similar ecosystems, zokors may act to increase local environmental heterogeneity at the landscape level, aid in the formation, aeration and mixing of soil, and enhance infiltration of water into the soil thus curtailing erosion. The changes that zokors cause in the physical environment, vegetation and soil clearly affect the herbivore food web. Equally, plateau zokors also provide a significant food source for many avian and mammalian predators on the plateau. Zokor control leading to depletion of prey and secondary poisoning may therefore present problems for populations of numerous other animals.3. We highlight the important role plateau zokors play in the Tibetan plateau ecosystem. Plateau zokors should be managed in concert with other comprehensive rangeland treatments to ensure the ecological equilibrium and preservation of native biodiversity, as well as the long-term sustainable use of pastureland by domestic livestock.

Social and ecological influences on dispersal and philopatry in the plateau pika (Ochotona curzoniae)

Benefits and costs of dispersal and philopatry of the social plateau pika (Ochotona curzoniae) were studied on the Tibetan plateau for 3 years. Although short-lived, plateau pikas live in cohesive family groups that occupy burrow systems in sedge meadow habitat Most (57.8%) plateau pikas were philopatric, and dispersal movements were extremely restricted. No juvenile females or adult pikas moved more than two family ranges between years; the greatest observed dispersal distances were by two juvenile males that moved five family ranges from the family of their birth. Traversing unfamiliar habitat was not a cost of pika dispersal because most dispersers settled in families that they could easily visit before dispersal. Dispersal movements appeared to result in equalization of density among pika families, an expected result if competition for environmental resources influenced dispersal. Males did not disperse to gain advantages in competition for mates, as evidenced by their moving to families with significantly fewer females. Females, however, moved to families with significantly more males. Males provide abundant paternal care, and significantly more offspring per female survived to become adults from families with more adult males per adult female. Evidence concerning the influence of inbreeding avoidance on natal dispersal was indirect. Some males exhibited natal philopatry; thus some families had opportunity for close inbreeding. Males and females that dispersed had no opposite-sex relatives in their new families. Philopatric pikas may have benefited by remaining in families that exhibited low local densities, and philopatric females might have benefited from social cooperation with relatives.

态度结构一致性对态度-行为关系的影响：个体与群体水平的研究

Social psychologists have long been interested in understanding the conditions under which attitudes influence behaviors, and they have formed two relatively independent theoretical perspectives in the attitude-behavior domain. One perspective, which we adopt in the present paper, focuses on investigating the effect of attitude strength on the attitude-behavior relationship. Specifically, the present research investigates the role of structural consistency, a dimension of attitude strength, on the attitude-behavior relationship. Structural consistency has typically been defined as the extent to which one aspect of individual’s attitude is consistent with either his or her overall attitude toward the object or the other aspect of the attitude, including affective-cognitive consistency (ACC), evaluative-cognitive consistency (ECC) and evaluative-affective consistency (EAC). The ECC and EAC can be integrated into the attitude base. Despite the evidence that structural consistency is associated with attitude-behavior relationship, there are some limitations in previous studies: (1) attitude base and ACC have been rarely studied together ;( 2) researchers often used the term behavior in a broad sense to encompass behavioral intentions as well as actual behaviors ;( 3) the effects were all investigated at individual level. The present research tried to explore the effects of ACC and attitude base on attitude-behavioral intention-actual behavior relationships at individual and group levels in different behavior areas including shopping, supportive behavior towards officials, and offensive behavior towards governors and central and local governments. The roles of affective and cognitive components of attitudes on general attitudes and following behaviors were also examined in this research. The results indicated that: A. At individual and group levels, the effect of structural consistency on attitude –intention relation is as the same as its effect on attitude-behavior relation, but it varies in different areas. On the other hand, the effect of structural consistency on explicit attitude-behavior relation is different from its effect on implicit attitude-behavior relation. B. The cognitive components of the individuals and groups’ implicit attitudes towards officials, the implicit and explicit attitudes towards governors, and the public’s attitudes towards central and local governments exert the stronger influence on general attitudes. Similarly, the cognitive components also exert the stronger influence on groups’ supportive behaviors towards officials and offensive behaviors towards governors and governments. C. Both group attitude and emotion can influence the group offensive behavior towards governors. The group attitude exerts its influence through the mediating effects of behavior intention and group emotion. The group emotion which is the core factor can exert the direct influence on group offensive behavior towards governors. D. At individual and group levels, the implicit and explicit measures should be used together to collect the attitude data, because the implicit and explicit attitudes can both predict behaviors under most conditions. It is the best implicit attitude measure to use the experts’ evaluations of listed words. And the emotion should be measured by the experts’ evaluations of listed words if the emotion data is used to predict the following behavior.