1,271 research outputs found

    Phase transitions in BaTiO3_3 from first principles

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    We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach is applied to BaTiO3_3, and the resulting Hamiltonian is studied using Monte Carlo simulations. The calculated phase sequence, transition temperatures, latent heats, and spontaneous polarizations are all in good agreement with experiment. The order-disorder vs.\ displacive character of the transitions and the roles played by different interactions are discussed.Comment: 13 page

    First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3

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    We carry out a completely first-principles study of the ferroelectric phase transitions in BaTiO3_3. Our approach takes advantage of two features of these transitions: the structural changes are small, and only low-energy distortions are important. Based on these observations, we make systematically improvable approximations which enable the parameterization of the complicated energy surface. The parameters are determined from first-principles total-energy calculations using ultra-soft pseudopotentials and a preconditioned conjugate-gradient scheme. The resulting effective Hamiltonian is then solved by Monte Carlo simulation. The calculated phase sequence, transition temperatures, latent heats, and spontaneous polarizations are all in good agreement with experiment. We find the transitions to be intermediate between order-disorder and displacive character. We find all three phase transitions to be of first order. The roles of different interactions are discussed.Comment: 33 pages latex file, 9 figure

    A Comparative Study of the ReCell® Device and Autologous Spit-Thickness Meshed Skin Graft in the Treatment of Acute Burn Injuries.

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    Early excision and autografting are standard care for deeper burns. However, donor sites are a source of significant morbidity. To address this, the ReCell® Autologous Cell Harvesting Device (ReCell) was designed for use at the point-of-care to prepare a noncultured, autologous skin cell suspension (ASCS) capable of epidermal regeneration using minimal donor skin. A prospective study was conducted to evaluate the clinical performance of ReCell vs meshed split-thickness skin grafts (STSG, Control) for the treatment of deep partial-thickness burns. Effectiveness measures were assessed to 1 year for both ASCS and Control treatment sites and donor sites, including the incidence of healing, scarring, and pain. At 4 weeks, 98% of the ASCS-treated sites were healed compared with 100% of the Controls. Pain and assessments of scarring at the treatment sites were reported to be similar between groups. Significant differences were observed between ReCell and Control donor sites. The mean ReCell donor area was approximately 40 times smaller than that of the Control (P < .0001), and after 1 week, significantly more ReCell donor sites were healed than Controls (P = .04). Over the first 16 weeks, patients reported significantly less pain at the ReCell donor sites compared with Controls (P ≤ .05 at each time point). Long-term patients reported higher satisfaction with ReCell donor site outcomes compared with the Controls. This study provides evidence that the treatment of deep partial-thickness burns with ASCS results in comparable healing, with significantly reduced donor site size and pain and improved appearance relative to STSG

    Food Distribution and Consumption in Knoxville: Exploring Food-Related Local Planning Issues

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    Summary: City planners have traditionally made an effort to understand the interrelationships between urban activities and various support systems, such as transportation, water and sewer, waste management, communications and energy. Food is also an important urban support system with a complex system of supply, distribution, and consumption. An understanding of the nature of the food supply and distribution system seems important, but in the past has not been an area of concern for the planning profession. It was the intent of this project to develop a basis from which to seek an understanding of the Knoxville food support system and its implications for local planning policy in Knoxville. The thrust of the study was three-fold. First, food-related problems and issues were identified. Then, further work was undertaken in order to propose remedial measures or public programs that might be initiated by local units of government. Finally, the group considered the possibility of establishing some kind of public oversight of the local food supply and distribution function. The approach has been general and comprehensive. One assumption here is that before public action can be initiated, those with responsibility for maintaining the public interest must understand the system. Thus, an analysis which would describe the system comprehensively, while allowing an opportunity to detect interrelationships among system components, was utilized. Patterns of consumption, food services and programs, and marketing channels by food types were also explored. The development of information involves consultation with literature, academicians, public officials, and industry representatives

    Third order dielectric susceptibility in a model quantum paraelectric

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    In the context of perovskite quantum paraelectrics, we study the effects of a quadrupolar interaction JqJ_q, in addition to the standard dipolar one JdJ_d. We concentrate here on the nonlinear dielectric response χP(3)\chi_{P}^{(3)}, as the main response function sensitive to quadrupolar (in our case antiquadrupolar) interactions. We employ a 3D quantum four-state lattice model and mean-field theory. The results show that inclusion of quadrupolar coupling of moderate strength (Jq14JdJ_q \sim {{1}\over{4}} J_d) is clearly accompanied by a double change of sign of χP(3)\chi_{P}^{(3)} from negative to positive, near the quantum temperature TQT_Q where the quantum paraelectric behaviour sets in. We fit our χP(3)\chi_{P}^{(3)} to recent experimental data for SrTiO3_3, where the sign change is identified close to TQ37KT_Q \sim 37 K.Comment: 22 page

    Kinematic Structure of H2 and [Fe II] in the Bipolar Planetary Nebula M 2-9

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    We present high-dispersion long-slit IR spectra of the double-shell bipolar planetary nebula M 2-9 in the emission lines [Fe II] 16435 and H2 v=1--0 S(1) 21218. H2 spectra reveal for the first time the kinematic structure of the outer shell in M 2-9. Kinematics of the inner shell, traced by [Fe II], resemble those of optical lines like [N II]. [Fe II] and H2 shells have expansion speeds roughly proportional to distance from the star (``Hubble'' flows) and share the same dynamical age of 1200--2000 yr, depending on the distance to M 2-9. Thus, the inner ionized lobes and outer molecular lobes, as well as the molecular torus and ``outer loops'' measured by other observers, were all formed around the same time. Consequently, their nested structure likely arises from an excitation gradient rather than independent ejections. H2 and [Fe II] emission is distributed more uniformly than [N II], and IR lines are not dominated by the moving ionization pattern like visual-wavelength lines. We suggest that this is because IR lines of [Fe II] and H2 are excited by relatively isotropic far-UV radiation (Balmer continuum), whereas optical lines respond to a directed rotating beam of Lyman continuum. Finally, we highlight intriguing similarities between M 2-9 and the Homunculus of eta Carinae, despite the different central engines powering the two nebulae.Comment: comments: 16 pages, 5 Figs, Fig 1 in color, accepted by AJ (August 2005

    Inter-Allelic Prion Propagation Reveals Conformational Relationships among a Multitude of [PSI] Strains

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    Immense diversity of prion strains is observed, but its underlying mechanism is less clear. Three [PSI] prion strains—named VH, VK, and VL—were previously isolated in the wild-type yeast genetic background. Here we report the generation and characterization of eight new [PSI] isolates, obtained by propagating the wild-type strains with Sup35 proteins containing single amino-acid alterations. The VH strain splits into two distinct strains when propagated in each of the three genetic backgrounds, harboring respectively single mutations of N21L, R28P, and Gi47 (i.e. insertion of a glycine residue at position 47) on the Sup35 N-terminal prion-forming segment. The six new strains exhibit complex inter-conversion patterns, and one of them continuously mutates into another. However, when they are introduced back into the wild-type background, all 6 strains revert to the VH strain. We obtain two more [PSI] isolates by propagating VK and VL with the Gi47 and N21L backgrounds, respectively. The two isolates do not transmit to other mutant backgrounds but revert to their parental strains in the wild-type background. Our data indicate that a large number of [PSI] strains can be built on three basic Sup35 amyloid structures. It is proposed that the three basic structures differ by chain folding topologies, and sub-strains with the same topology differ in distinct ways by local structural adjustments. This “large number of variations on a small number of basic themes” may also be operative in generating strain diversities in other prion elements. It thus suggests a possible general scheme to classify a multitude of prion strains

    'An outsider in our midst': narratives of Neil Lennon, soccer and ethno-religious igotry in the Scottish press

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    This essay offers a critique of media narratives concerning soccer and those of 'difference' in contemporary Scotland, in particular those who have Irishness as their different identity. It examines certain newspaper narratives concerning Neil Lennon of Celtic FC during autumn 2005. During this period Lennon was characterized as a soccer villain. The commentaries drew on existing perceptions concerning his personality and style of play. More importantly Lennon's national identity (Irish) and his religious background (Catholic) were integrated into the narratives, marking him as an outsider in Scotland. These narratives resonate with public and private discourses of 'otherness' concerning the Irish Catholic diaspora community in Scotland. These broader discourses are manifest as ethno-religious prejudices directed against this community. The discourses of 'outsider' and 'otherness' that surround Lennon, Celtic FC and the Irish Catholic community expose the myth of Scotland's collective self-image as an egalitarian and inclusive society

    Evolutionary relationships between Rhynchosporium lolii sp. nov. and other Rhynchosporium species on grass.

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    Copyright: 2013 King et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are creditedThe fungal genus Rhynchosporium (causative agent of leaf blotch) contains several host-specialised species, including R. commune (colonising barley and brome-grass), R. agropyri (couch-grass), R. secalis (rye and triticale) and the more distantly related R. orthosporum (cocksfoot). This study used molecular fingerprinting, multilocus DNA sequence data, conidial morphology, host range tests and scanning electron microscopy to investigate the relationship between Rhynchosporium species on ryegrasses, both economically important forage grasses and common wild grasses in many cereal growing areas, and other plant species. Two different types of Rhynchosporium were found on ryegrasses in the UK. Firstly, there were isolates of R. commune that were pathogenic to both barley and Italian ryegrass. Secondly, there were isolates of a new species, here named R. lolii, that were pathogenic only to ryegrass species. R. lolii was most closely related to R. orthosporum, but exhibited clear molecular, morphological and host range differences. The species was estimated to have diverged from R. orthosporum ca. 5735 years before the present. The colonisation strategy of all of the different Rhynchosporium species involved extensive hyphal growth in the sub-cuticular regions of the leaves. Finally, new species-specific PCR diagnostic tests were developed that could distinguish between these five closely related Rhynchosporium species.Peer reviewedFinal Published versio
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