516 research outputs found

    Calculation of electron-impact rotationally elastic total cross sections for NH<sub>3</sub>, H<sub>2</sub>S, and PH<sub>3</sub> over the energy range from 0.01 eV to 2 keV

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    This paper report results of calculation of the total cross section QT for electron impact on NH3, H2S,and PH3 over a wide range of incident energies from 0.01 eV to 2 keV. Total cross sections QT (elastic plus electronic excitation) for incident energies below the ionization threshold of the target were calculated using the UK molecular R-matrix code through the Quantemol-N software package and cross sections at higher energies were derived using the spherical complex optical potential formalism. The two methods are found to give self-consistent values where they overlap. The present results are, in general, found to be in good agreement with previous experimental and theoretical results

    Modeling of nanoparticle coatings for medical applications

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    Abstract Gold nanoparticles (AuNPs) have been shown to possess properties beneficial for the treatment of cancerous tumors by acting as radiosensitizers for both photon and ion radiation. Blood circulation time is usually increased by coating the AuNPs with poly(ethylene glycol) (PEG) ligands. The effectiveness of the PEG coating, however, depends on both the ligand surface density and length of the PEG molecules, making it important to understand the structure of the coating. In this paper the thickness, ligand surface density, and density of the PEG coating is studied with classical molecular dynamics using the software package MBN Explorer. AuNPs consisting of 135 atoms (approximately 1.4 nm diameter) in a water medium have been studied with the number of PEG ligands varying between 32 and 60. We find that the thickness of the coating is only weakly dependent on the surface ligand density and that the degree of water penetration is increased when there is a smaller number of attached ligands

    Theoretical total cross sections for <i>e</i>-SO<sub>2</sub> scattering over a wide energy range (0.1−2000 eV) revealing a 3.4-eV shape resonance

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    We have used the ab initio R-matrix formalism at low impact energies (below the ionization threshold of the target) and the spherical complex optical potential methodology above the ionization threshold to generate total cross sections for e-SO2 scattering over the energy range from 0.1 to 2000 eV. The eigenphase diagram and total cross section indicate a structure at 3.4 eV which is ascribed to a shape resonance, evidence for which appears in earlier experimental studie

    Symmetry breaking by quantum coherence in single electron attachment

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    Quantum coherence-induced effects in atomic and molecular systems are the basis of several proposals for laser-based control of chemical reactions. So far, these rely on coherent photon beams inducing coherent reaction pathways that may interfere with one another, in order to achieve the desired outcome. This concept has been successfully exploited for removing the inversion symmetry in the dissociation of homonuclear diatomic molecules, but it remains to be seen if such quantum coherent effects can also be generated by interaction of incoherent electrons with such molecules. Here we show that resonant electron attachment to H2 and the subsequent dissociation into H (n=2) + H− is asymmetric about the inter-nuclear axis, while the asymmetry in D2 is far less pronounced. We explain this observation as due to attachment of a single electron resulting in a coherent superposition of two resonances of opposite parity. In addition to exemplifying a new quantum coherent process, our observation of coherent quantum dynamics involves the active participation of all three electrons and two nuclei, which could provide new tools for studying electron correlations as a means to control chemical processes and demonstrates the role of coherent effects in electron induced chemistry

    The Personal is still Political: Museums, Participation and Copyright

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    Copyright is a means of managing the interests of individual authors and those of the ‘public interest’. In a museum context, copyright is a technical practice which illuminates how museums imagine and manage their own organizational legitimacy – a settlement which has often operated through a ‘public interest argument’ (‘we need you to hand over control of your object/story for the benefit of all’). Drawing on interviews with people who work in museums and those who have taken part in a museum participation project, we focus on a digital storytelling project to show how copyright was deployed to make an in-practice argument for the how museums might legitimately relate personal story telling with the ‘public interest’. The project did this through three processes: coming into the public via managing informed consent through evoking future audiences, making an author through creating intentional decisions and ‘responsibilization’ and making an object by transforming a digital story into a ‘finished’ object which is, in turn, transferred into the museum collections. While those involved in the project recognized they had signed over the rights to their story and were, in most cases, broadly happy with this – ‘that’s what the form was for’, as one put it – the personal nature of the story itself (linked to personal memories, friends and family) and the sociality of the process of making it (in a group; through interactions with museum staff) was also emphasized. This sociality was expressed in the sense that participants would like to be told when a story is going to be re-displayed, be sent drafts of interpretation and be invited to the opening of the exhibition – a mode of relationship with the museum consistently described as ‘courtesy’. The article concludes by suggesting that the expectation of courtesy – though it might seem like a very modest claim – does something to museums and makes way for more nuanced asymmetries within the public interest argument. Rather than assuming that ‘the public interest’ lies in treating people (slightly coldly) in the same way, the lens of courtesy might suggest ways of both respecting the importance of the public ethos (for institutions to address themselves to ideas of fairness, inclusion and equality) yet might also work to socialize this impulse and reimagine a responsive public museum from the bottom up
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