3,288 research outputs found

    A Molecular Platinum Cluster Junction: A Single-Molecule Switch

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    We present a theoretical study of the electronic transport through single-molecule junctions incorporating a Pt6 metal cluster bound within an organic framework. We show that the insertion of this molecule between a pair of electrodes leads to a fully atomically engineered nano-metallic device with high conductance at the Fermi level and two sequential high on/off switching states. The origin of this property can be traced back to the existence of a HOMO which consists of two degenerate and asymmetric orbitals, lying close in energy to the Fermi level of the metallic leads. Their degeneracy is broken when the molecule is contacted to the leads, giving rise to two resonances which become pinned close to the Fermi level and display destructive interference.Comment: 4 pages, 4 figures. Reprinted (adapted) with permission from J. Am. Chem. Soc., 2013, 135 (6), 2052. Copyright 2013 American Chemical Societ

    Unbiased Global Optimization of Lennard-Jones Clusters for N <= 201 by Conformational Space Annealing Method

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    We apply the conformational space annealing (CSA) method to the Lennard-Jones clusters and find all known lowest energy configurations up to 201 atoms, without using extra information of the problem such as the structures of the known global energy minima. In addition, the robustness of the algorithm with respect to the randomness of initial conditions of the problem is demonstrated by ten successful independent runs up to 183 atoms. Our results indicate that the CSA method is a general and yet efficient global optimization algorithm applicable to many systems.Comment: revtex, 4 pages, 2 figures. Physical Review Letters, in pres

    Randomized clinical trial of postoperative chewing gum versus standard care after colorectal resection

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    Background Chewing gum may stimulate gastrointestinal motility, with beneficial effects on postoperative ileus suggested in small studies. The primary aim of this trial was to determine whether chewing gum reduces length of hospital stay (LOS) after colorectal resection. Secondary aims included examining bowel habit symptoms, complications and healthcare costs. Methods This clinical trial allocated patients randomly to standard postoperative care with or without chewing gum (sugar-free gum for at least 10 min, four times per day on days 1–5) in five UK hospitals. The primary outcome was LOS. Cox regression was used to calculate hazard ratios for LOS. Results Data from 402 of 412 patients, of whom 199 (49·5 per cent) were allocated to chewing gum, were available for analysis. Some 40 per cent of patients in both groups had laparoscopic surgery, and all study sites used enhanced recovery programmes. Median (i.q.r.) LOS was 7 (5–11) days in both groups (P = 0·962); the hazard ratio for use of gum was 0·94 (95 per cent c.i. 0·77 to 1·15; P = 0·557). Participants allocated to gum had worse quality of life, measured using the EuroQoL 5D-3L, than controls at 6 and 12 weeks after operation (but not on day 4). They also had more complications graded III or above according to the Dindo–Demartines–Clavien classification (16 versus 6 in the group that received standard care) and deaths (11 versus 0), but none was classed as related to gum. No other differences were observed. Conclusion Chewing gum did not alter the return of bowel function or LOS after colorectal resection

    The influence of pressure on the phase stability of nanocomposite Fe_(89)Zr_7B_4 during heating from energy dispersive x-ray diffraction

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    Nanocomposite materials consisting of small crystalline grains embedded within an amorphous matrix show promise for many soft magnetic applications. The influence of pressure is investigated by in situ diffraction of hammer milled Fe_(89)Zr_(7)B_4 during heating through the α → γ Fe transition at 0.5, 2.2, and 4.9 GPa. The changes in primary and secondary crystallization onset are described by diffusion and the energy to form a critical nucleus within the framework of classical nucleation theory

    Unequal relationships in high and low power distance societies: a comparative study of tutor - student role relations in Britain and China

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    This study investigated people's conceptions of an unequal role relationship in two different types of society: a high power distance society and a low power distance society. The study focuses on the role relationship of tutor and student. British and Chinese tutors and postgraduate students completed a questionnaire that probed their conceptions of degrees of power differential and social distance/closeness in this role relationship. ANOVA results yielded a significant nationality effect for both aspects. Chinese respondents judged the relationship to be closer and to have a greater power differential than did British respondents. Written comments on the questionnaire and interviews with 9 Chinese academics who had experienced both British and Chinese academic environments supported the statistical findings and indicated that there are fundamental ideological differences associated with the differing conceptions. The results are discussed in relation to Western and Asian concepts of leadership and differing perspectives on the compatibility/incompatibility of power and distance/closeness

    Innovative interstellar explorer

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    An interstellar "precursor" mission has been under discussion in the scientific community for at least 30 years. Fundamental scientific questions about the interaction of the Sun with the interstellar medium can only be answered with in situ measurements that such a mission can provide. The Innovative Interstellar Explorer (IIE) and its use of Radioisotope Electric Propulsion (REP) is being studied under a NASA "Vision Mission" grant. Speed is provided by a combination of a high-energy launch, using current launch vehicle technology, a Jupiter gravity assist, and long-term, low-thrust, continuous acceleration provided by an ion thruster running off electricity provided by advanced radioisotope electric generators. A payload of ten instruments with an aggregate mass of ~35 kg and requiring ~30 W has been carefully chosen to address the compelling science questions. The nominal 20-day launch window opens on 22 October 2014 followed by a Jupiter gravity assist on 5 February 2016. The REP system accelerates the spacecraft to a "burnout" speed of 7.8 AU per year at 104 AU on 13 October 2032 (Voyager 1's current speed is ~3.6 AU/yr). The spacecraft will return at least 500 bits per second from at least 200 AU ~30 years after launch. Additional (backup) launch opportunities occur every 13 months to early 2018. In addition to addressing basic heliospheric science, the mission will ensure continued information on the far-heliospheric galactic cosmic ray population after the Voyagers have fallen silent and as the era of human Mars exploration begins

    Turning to God in the Face of Ostracism: Effects of Social Exclusion on Religiousness

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    The present research proposes that individuals who are socially excluded can turn to religion to cope with the experience. Empirical studies conducted to test this hypothesis consistently found that socially excluded persons reported (a) significantly higher levels of religious affiliation (Studies 1, 2, and 4) and (b) stronger intentions to engage in religious behaviors (Study 2) than comparable, nonexcluded individuals. Direct support for the stress-buffering function of religiousness was also found, with a religious prime reducing the aggression-eliciting effects of consequent social rejection (Study 5). These effects were observed in both Christian and Muslim samples, revealing that turning to religion can be a powerful coping response when dealing with social rejection. Theoretical and practical implications of these findings are discussed
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