Electronic properties of graphene grain boundaries

Grain boundaries and defect lines in graphene are intensively studied for their novel electronic and magnetic properties. However, there is not a complete comprehension of the appearance of localized states along these defects. Graphene grain boundaries are herein seen as the outcome of matching two semi-infinite graphene sheets with different edges. We classify the energy spectra of grain boundaries into three different types, directly related to the combination of the four basic classes of spectra of graphene edges. From the specific geometry of the grains, we are able to obtain the band structure and the number of localized states close to the Fermi energy. This provides a new understanding of states localized at grain boundaries, showing that they are derived from the edge states of graphene. Such knowledge is crucial for the ultimate tailoring of electronic and optoelectronic applications.

Microwave Resonant and Zero-Field Absorption Study of Doped Magnetite Prepared by a Co-Precipitation Method

Fe3O4 and ZnxFe3-xO4 pure and doped magnetite magnetic nanoparticles (NPs) were prepared in aqueous solution (Series A) or in a water-ethyl alcohol mixture (Series B) by the co-precipitation method. Only one ferromagnetic resonance line was observed in all cases under consideration indicating that the materials are magnetically uniform. The shortfall in the resonance fields from 3.27 kOe (for the frequency of 9.5 GHz) expected for spheres can be understood taking into account the dipolar forces, magnetoelasticity, or magnetocrystalline anisotropy. All samples show non-zero low field absorption. For Series A samples the grain size decreases with an increase of the Zn content. In this case zero field absorption does not correlate with the changes of the grain size. For Series B samples the grain size and zero field absorption behavior correlate with each other. The highest zero-field absorption corresponded to 0.2 zinc concentration in both A and B series. High zero-field absorption of Fe3O4 ferrite magnetic NPs can be interesting for biomedical applications.

Study on the growth, etch morphology and spectra of Y2SiO5 crystal

Undoped Y2SiO5 single crystal was grown by the Czochralski method. The samples were optically polished after orienting and cutting. The rhombus and quadrangular dislocation etching pits, the low-angle grain boundaries and the inclusions in the samples were observed using optical microscope and scanning electron microscope. The absorption spectra were measured before and after H-2 annealing or air annealing. The absorption edge of Y2SiO5 crystal was determined to be about 202 nm. The absorption coefficient of Y2SiO5 crystal decreased after H-2 annealing and obviously increased after air annealing. (C) 2005 Elsevier B.V. All rights reserved.

Epitaxial growth of ZnO films on (100) and (001) gamma-LiAlO2 substrates by pulsed laser deposition

Structural and optical properties were investigated for ZnO films grown on (100) and (001) gamma-LiAlO2 (LAO) substrates by pulsed laser deposition method. According XRD results, it is intuitionistic that (100) LAO is suitable for fabricating high quality ZnO film, while (001) LAO is unsuitable. The FWHM of XRD, stress in film and FWHM of UV PL spectra for ZnO films on (100) LAO show a decreasing with increasing substrate temperature from 300 to 600 degrees C. ZnO film fabricated at 600 degrees C has the greatest grain size, the smallest stress (0.47 Gpa) and PL FWHM value (similar to 85 meV). This means that the substrate temperature of 600 degrees C is optimum for ZnO film deposited on (100) LAO. Moreover, it was found that the UV PL spectra intensity of ZnO film is not only related to the grain size and stoichiometric, but also depends on the stress in the film.

Carbapenem-resistant and carbapenem-susceptible isogenic isolates of Klebsiella pneumoniae ST101 causing infection in a tertiary hospital

Background: In this study we describe the clinical and molecular characteristics of an outbreak due to carbapenem-resistant Klebsiella pneumoniae (CR-KP) producing CTX-M-15 and OXA-48 carbapenemase. Isogenic strains, carbapenem-susceptible K. pneumoniae (CS-KP) producing CTX-M-15, were also involved in the outbreak. Results: From October 2010 to December 2012 a total of 62 CR-KP and 23 CS-KP were isolated from clinical samples of 42 patients (22 had resistant isolates, 14 had susceptible isolates, and 6 had both CR and CS isolates). All patients had underlying diseases and 17 of them (14 patients with CR-KP and 3 with CS-KP) had received carbapenems previously. The range of carbapenem MICs for total isolates were: imipenem: 2 to >32 mu g/ml vs. <2 mu g/ml; meropenem: 4 to >32 mu g/ml vs. <2 mu g/ml; and ertapenem: 8 to >32 mu g/ml vs. <2 mu g/ml. All the isolates were also resistant to gentamicin, ciprofloxacin, and cotrimoxazole. Both types of isolates shared a common PFGE pattern associated with the multilocus sequence type 101 (ST101). The bla(CTX-M-15) gene was detected in all the isolates, whereas the bla(OXA-48) gene was only detected in CR-KP isolates on a 70 kb plasmid. Conclusions: The clonal spread of K. pneumoniae ST101 expressing the OXA-48 and CTX-M-15 beta-lactamases was the cause of an outbreak of CR-KP infections. CTX-M-15-producing isolates lacking the blaOXA-48 gene coexisted during the outbreak.

Involvement of ANXA5 and ILKAP in Susceptibility to Malignant Melanoma

Single nucleotide-polymorphisms (SNPs) are a source of diversity among human population, which may be responsible for the different individual susceptibility to diseases and/or response to drugs, among other phenotypic traits. Several low penetrance susceptibility genes associated with malignant melanoma (MM) have been described, including genes related to pigmentation, DNA damage repair and oxidative stress pathways. In the present work, we conducted a candidate gene association study based on proteins and genes whose expression we had detected altered in melanoma cell lines as compared to normal melanocytes. The result was the selection of 88 loci and 384 SNPs, of which 314 fulfilled our quality criteria for a case-control association study. The SNP rs6854854 in ANXA5 was statistically significant after conservative Bonferroni correction when 464 melanoma patients and 400 controls were analyzed in a discovery Phase I. However, this finding could not be replicated in the validation phase, perhaps because the minor allele frequency of SNP rs6854854 varies depending on the geographical region considered. Additionally, a second SNP (rs6431588) located on ILKAP was found to be associated with melanoma after considering a combined set of 1,883 MM cases and 1,358 disease-free controls. The OR was 1.29 (95% CI 1.12-1.48; p-value= 4x10(-4)). Both SNPs, rs6854854 in ANXA5 and rs6431588 in ILKAP, show population structure, which, assuming that the Spanish population is not significantly structured, suggests a role of these loci on a specific genetic adaptation to different environmental conditions. Furthermore, the biological relevance of these genes in MM is supported by in vitro experiments, which show a decrease in the transcription levels of ANXA5 and ILKAP in melanoma cells compared to normal melanocytes.

The effects of oxygen partial pressure on the optical absorption edge and the UV emission energy of ZnO films

The optical absorption edge and ultraviolet (UV) emission energy of ZnO films deposited by direct current (DC) reactive magnetron sputtering at room temperature have been investigated. With the oxygen ratio increasing, the structure of films changes from zinc and zinc oxide coexisting phase to single-phase ZnO and finally to the highly (002) orientation. Both the grain size and the stress of ZnO film vary with the oxygen partial pressure. Upon increasing the oxygen partial pressure in the growing ambient, the visible emission in the room-temperature photoluminescence spectra was suppressed without sacrificing the band-edge emission intensity in the ultraviolet region. The peaks of photoluminescence spectra were located at 3.06---3.15 eV. From optical transmittance spectra of ZnO films, the optical band gap edge was observed to shift towards shorter wavelength with the increase of oxygen partial pressure.

Sediment quality triad assessment in Kachemak Bay: characterization of soft bottom benthic habitats and contaminant bioeffects assessment condensed. A NOAA/NOS/NCCOS/CCMA Special Report

A baseline environmental characterization of the inner Kachemak Bay, Alaska was conducted using standardized National Status and Trends Bioeffects Program methods. Three sites near the village of Port Graham were also sampled for comparison. Concentrations of over 120 organic and metallic contaminants were analyzed. Ambient toxicity was assessed using two bioassays. A detailed benthic community condition assessment was performed. Habitat parameters (e.g. depth, salinity, temperature, dissolved oxygen, sediment grain size, and organic carbon content) that influence species and contaminant distribution were also measured at each sampling site. The following is the synopsis of findings • Sediments were mostly mixed silt and sand with pockets of muddy zones. Organic compounds (PAHs, DDTs, PCBs, chlorinated pesticides) were detected throughout the bay but at relatively low concentrations. With some exceptions, metals concentrations were relatively low and probably reflect the input of glacial runoff. • Homer Harbor had elevated concentrations of metallic and organic contaminants. Concentrations of organic contaminants measured were five to ten times higher in the harbor sites than in the open bay sites. Tributyltin was elevated in Homer Harbor relative to the other areas. • There was no evidence of residual PAHs attributable to oil spills, outside of local input in the confines of the harbor. • The benthic community is very diverse. Specific community assemblages were distributed based on depth and water clarity. Species richness and diversity was lower in the eastern end of the bay in the vicinity of the Fox River input. Abundance was also generally lower in the eastern portion of the study area, and in the intertidal areas near Homer. The eastern portions of the bay are stressed by the sediment load from glacial meltwater. • Significant toxicity was virtually absent. • The benthic fauna at Port Graham contained a significant number of species not found in Kachemak Bay. • Selected metal concentrations were elevated at Port Graham relative to Kachemak Bay, probably due to local geology. Organic contaminants were elevated at a site south of the village.

Cruise report: regional assessment of ecosystem condition and stressor impacts along the northwestern Gulf of Mexico Shelf. NOAA Ship 'Nancy Foster' NF-11-07-RACOW (August 8-16, 2011)

This cruise report is a summary of a field survey conducted along a portion of the U.S. continental shelf in northwestern Gulf of Mexico (GOM), at navigable depths along the coastline seaward to the shelf break (~100m) from about 89°30' W to 95°28' W longitude, August 8 – 16, 2011 on NOAA Ship Nancy Foster Cruise NF-11-07-RACOW. Synoptic sampling of multiple ecological indicators was conducted at each of 34 stations throughout these waters using a random probabilistic sampling design. The original study design consisted of 50 stations extending from the Mississippi delta all the way to the U.S./Mexican border, but vessel failures precluded sampling at 16 stations within the western-most portion of the study area. At each station samples were collected for the analysis of benthic community structure and composition; concentrations of chemical contaminants in sediments and target demersal biota; sediment toxicity; nutrient and chlorophyll levels in the water column; and other basic habitat characteristics such as salinity, temperature, dissolved oxygen, turbidity, pH, sediment grain size, and organic carbon content. Other indicators, from a human-dimension perspective, were also recorded, including presence of vessels, oil rigs, surface trash, visual oil sheens in sediments or water, marine mammals, or noxious/oily sediment odors. The overall purpose of the survey was to collect data to assess the status of ecosystem condition and potential stressor impacts throughout the region, based on these various indicators and corresponding management thresholds, and to provide this information as a baseline for determining how such conditions may be changing with time. While sample analysis is still ongoing, some preliminary results and observations are reported here. A final report will be completed once all data have been processed.

Cruise report: regional assessment of ecosystem condition and stressor impacts along the northeastern Gulf of Mexico shelf; NOAA Ship Nancy Foster NF-10-09-RACOW (August 13-21, 2010)

This cruise report is a summary of a field survey conducted along the continental shelf of the northeastern Gulf of Mexico (GOM), encompassing 70,062 square kilometers of productive marine habitats located between the Mississippi Delta and Tampa Bay, August 13–21, 2010 on NOAA Ship Nancy Foster Cruise NF-10-09-RACOW. Synoptic sampling of multiple ecological indicators was conducted at each of 50 stations throughout these waters using a random probabilistic sampling design. At each station samples were collected for the analysis of benthic community structure and composition; concentrations of chemical contaminants (metals, pesticides, TPHs, PAHs, PCBs, PBDEs) in sediments and target demersal biota; sediment toxicity; nutrient and chlorophyll levels in the water column; and other basic habitat characteristics such as depth, salinity, temperature, dissolved oxygen, turbidity, pH, CDOM fluorescence, sediment grain size, and organic carbon content. Discrete water samples were collected just below the sea surface, in addition to any deeper subsurface depths where there was an occurrence of suspicious CDOM fluorescence signals, and analyzed for total BTEX/TPH and carcinogenic PAHs using immunoassay test kits. Other indicators of potential value from a human-dimension perspective were also recorded, including presence of any vessels, oil rigs, surface trash, visual oil sheens in sediments or water, marine mammals, or noxious/oily sediment odors. The overall purpose of the survey was to collect data to assess the status of ecosystem condition and potential stressor impacts throughout the region, based on these various indicators and corresponding management thresholds, and to provide this information as a baseline for determining how such conditions may be changing with time. In addition to the original project goals, both the scientific scope and general location of this project are relevant to addressing potential ecological impacts of the Deepwater Horizon oil spill. While sample analysis is still ongoing, a few preliminary results and observations are reported here. A final report will be completed once all data have been processed.

Sediment Quality Triad assessment in Kachemak Bay: characterization of soft bottom benthic habitats and contaminant bioeffects assessment

A baseline environmental characterization of the inner Kachemak Bay, Alaska was conducted using the sediment quality triad approach based on sediment chemistry, sediment toxicity, and benthic invertebrate community structure. The study area was subdivided into 5 strata based on geophysical and hydrodynamic patterns in the bay (eastern and western intertidal mud flats, eastern and western subtidal, and Homer Harbor). Three to seven locations were synoptically sampled within each stratum using a stratified random statistical design approach. Three sites near the village of Port Graham and two sites in the footprint of a proposed Homer Harbor expansion were also collected for comparison. Concentrations of over 120 organic and metallic contaminants were analyzed. Ambient toxicity was assessed using two amphipod bioassays. A detailed benthic community condition assessment was performed. Habitat parameters (depth, salinity, temperature, dissolved oxygen, sediment grain size, and organic carbon content) that influence species and contaminant distribution were also measured at each sampling site. Sediments were mostly mixed silt and sand; characteristic of high energy habitats, with pockets of muddy zones. Organic compounds (PAHs, DDTs, PCBs, cyclodienes, cyclohexanes) were detected throughout the bay but at relatively low concentrations. Tributyltin was elevated in Homer Harbor relative to the other strata. With a few exceptions, metals concentrations were relatively low and probably reflect the input of glacial runoff. Relative to other sites, Homer Harbor sites were shown to have elevated concentrations of metallic and organic contaminants. The Homer Harbor stratum however, is a deep, low energy depositional environment with fine grained sediment. Concentrations of organic contaminants measured were five to ten times higher in the harbor sites than in the open bay sites. Concentration of PAHs is of a particular interest because of the legacy of oil spills in the region. There was no evidence of residual PAHs attributable to oil spills, outside of local input, beyond the confines of the harbor. Concentrations were one to ten times below NOAA sediment quality guidelines. Selected metal concentrations were found to be relatively elevated compared to other data collected in the region. However, levels are still very low in the scale of NOAA’s sediment quality guidelines, and therefore appear to pose little or no ecotoxicity threat to biota. Infaunal assessment showed a diverse assemblage with more than 240 taxa recorded and abundances greater than 3,000 animals m-22 in all but a few locations. Annelid worms, crustaceans, snails, and clams were the dominant taxa accounting for 63 %, 19%, 5%, and 7 % respectively of total individuals. Specific benthic community assemblages were identified that were distributed based on depth and water clarity. Species richness and diversity was lower in the eastern end of the bay in the vicinity of the Fox River input. Abundance was also generally lower in the eastern portion of the study area, and in the intertidal areas near Homer. The eastern portions of the bay are stressed by the sediment load from glacial meltwater. Significant toxicity was virtually absent. Conditions at the sites immediately outside the existing Homer Harbor facility did not differ significantly from other subtidal locations in the open Kachemak Bay. The benthic fauna at Port Graham contained a significant number of species not found in Kachemak Bay. Contaminant conditions were variable depending on specific location. Selected metal concentrations were elevated at Port Graham and some were lower relative to Kachemak Bay, probably due to local geology. Some organic contaminants were accumulating at a depositional site.

Fabrication of large grain Nd-Ba-Cu-O by seeded melt growth

Large, single grain Nd-Ba-Cu-O (NdBCO) composite samples of NdBa2Cu3O7-δ (Nd-123) containing 15 and 20 mol. % non-superconducting Nd4Ba2Cu2O10 (Nd-422) phase inclusions have been fabricated successfully by a variety of techniques based on top-seeded melt growth under reduced oxygen partial pressure. Specifically, individual grains up to 2cm in diameter have been grown using (100) oriented MgO seeding, self (NdBCO) seeding at elevated temperature and self-seeding of Ag and Au doped precursor pellets. The latter exhibit a reduced peritectic decomposition temperature compared with the undoped compound. These techniques, which vary in degree of difficulty and hence reliability, yield grains with a range of microstructural homogeneity. This paper describes the general aspects of large NdBCO grain fabrication and presents the results of the different fabrication techniques.

Identification of biodiversity and distribution pattern of benthic Foraminifera and Ostracoda in continental shelf sediments of the Oman Sea

Biodiversity and distribution of benthic Foraminifera and Ostracoda in the continental shelf sediments of the Omman Sea was studied in order to indicating of the composition of benthic foraminiferal and ostracodal communities and determining of their relationship with the environmental factors of the Omman Sea. Sediment samples were gathered in winter 2006 from twelve stations ranging in depth from 30 to 103 meters. Environmental factors including depth, temperature, salinity, dissolved Oxygen and pH were measured with a CTD system during sampling time and grain size and total organic matter were measured in laboratory. From the overall 57 benthic foram species, there were 52 identified species belong to 25 genera of 16 families. The cosmopolitan foraminifer, Ammonia beccarii, was common in all sampling stations. The composition of benthic foram communities had a highly positive correlation with depth, salinity and total organic matter. From the overall 30 ostracod species, there were 26 identified species belong to 22 genera of 13 families. Diversity and aboundance of ostracoda of the Oman Sea decreased from east to west and from south to north but increased slightly in the northwest (near the Strait of Hormoz). Ostracoda of the genus Propontocypris were common in all sampling stations but the genera Cyprideis, Paradoxostom and Hemicytheridea were rare in the Oman Sea. Diversity and aboundance of ostracoda in northern regions were less than southern and were less than foraminifera too. The composition of ostracodal communities had a highly positive correlation with dept, salinity and grain size. Biodiversity and distribution pattern of benthic foraminifera and ostracoda were being different in various sampling stations, especially between northern and southern regions. Water depth, salinity and structure of the sediments were the most important abiotic factors controlling the distribution pattern of benthic foraminifera and ostracoda in the Omman Sea. None existence or rare observation of structural abnormalities and oil polluted individuals in the vicinity of all sampling stations, resulted to the "clean" benthic environment of the Omman Sea.

Vortex deformation and breaking in superconductors: a microscopic description

Vortex breaking has traditionally been studied for non-uniform critical current densities, although it may also appear due to non-uniform pinning force distributions. In this article we study the case of a high-pinning/low-pinning/high-pinning layered structure. We have developed an elastic model for describing the deformation of a vortex in these systems in the presence of a uniform transport current density J for any arbitrary orientation of the transport current and the magnetic field. If J is above a certain critical value, J(c), the vortex breaks and a finite effective resistance appears. Our model can be applied to some experimental configurations where vortex breaking naturally exists. This is the case for YBa2Cu3O7-delta (YBCO) low-angle grain boundaries and films on vicinal substrates, where the breaking is experienced by Abrikosov-Josephson vortices (AJV) and Josephson string vortices (SV), respectively. With our model, we have experimentally extracted some intrinsic parameters of the AJV and SV, such as the line tension is an element of(l) and compared it to existing predictions based on the vortex structure.

Grain boundary interface mechanics in strain gradient crystal plasticity

Interactions between dislocations and grain boundaries play an important role in the plastic deformation of polycrystalline metals. Capturing accurately the behaviour of these internal interfaces is particularly important for applications where the relative grain boundary fraction is significant, such as ultra fine-grained metals, thin films and microdevices. Incorporating these micro-scale interactions (which are sensitive to a number of dislocation, interface and crystallographic parameters) within a macro-scale crystal plasticity model poses a challenge. The innovative features in the present paper include (i) the formulation of a thermodynamically consistent grain boundary interface model within a microstructurally motivated strain gradient crystal plasticity framework, (ii) the presence of intra-grain slip system coupling through a microstructurally derived internal stress, (iii) the incorporation of inter-grain slip system coupling via an interface energy accounting for both the magnitude and direction of contributions to the residual defect from all slip systems in the two neighbouring grains, and (iv) the numerical implementation of the grain boundary model to directly investigate the influence of the interface constitutive parameters on plastic deformation. The model problem of a bicrystal deforming in plane strain is analysed. The influence of dissipative and energetic interface hardening, grain misorientation, asymmetry in the grain orientations and the grain size are systematically investigated. In each case, the crystal response is compared with reference calculations with grain boundaries that are either 'microhard' (impenetrable to dislocations) or 'microfree' (an infinite dislocation sink). © 2013 Elsevier Ltd. All rights reserved.