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Skarmoutsos I.,Imperial College London | Dellis D.,Institute of Accelerating Systems and Applications | Matthews R.P.,Imperial College London | Welton T.,Imperial College London | Hunt P.A.,Imperial College London
Journal of Physical Chemistry B | Year: 2012

A detailed investigation of hydrogen bonding in the pure ionic liquids [C4C1im]Cl and [C2C1im]Cl has been carried out using primarily molecular dynamics techniques. Analyses of the individual atom-atom pair radial distribution functions, and in particular those for C•••Cl-, have revealed that hydrogen bonding to the first methylene or methyl units of the substituent groups is important. Multiple geometric criteria for defining a hydrogen bond have been applied, and in particular the choice of the cutoff angle has been carefully examined. The interpretation of hydrogen bonding within these ionic liquids is highly angle dependent, and justification is provided for why it may be appropriate to employ a wider angle criteria than the 30° used for water or alcohol systems. The different types of hydrogen bond formed are characterized, and "top" conformations where the Cl anion resides above (or below) the imidazolium ring are investigated. The number of hydrogen bonds undertaken by each hydrogen atom (and the chloride anion) is quantified, and the propensity to form zero, one, or two hydrogen bonds is established. The effects of an increase in temperature on the static hydrogen bonding are also briefly examined. © 2012 American Chemical Society. Source


Grant
Agency: Cordis | Branch: FP7 | Program: MC-IEF | Phase: FP7-PEOPLE-2010-IEF | Award Amount: 211.75K | Year: 2012

Magnetic fields are produced in differentially rotating and convecting environments, such as in the interior of the sun, other convective stars and also in accretion disks. The produced magnetic fields emerge in the outer atmospheric layers because of magnetic buoyancy producing a plethora of explosive events. This Emergence of Magnetic Flux (EMF) is a fundamental astrophysical phenomenon and the possible driver of the observed, ubiquitous activity in astrophysical plasmas. In the case of the Sun, the Rosette Stone of Astrophysics, EMF is a key process, ultimately linked to the formation of active regions (ARs) at the solar surface (photosphere). Moreover, it is thought that flux emergence contributes considerably to the driving of spectacular phenomena as solar and astrophysical jets, and the Coronal Mass Ejections (CMEs). Therefore, the main aim of this proposal is to understand the coupling between EMF and fundamental aspects of solar/astrophysical dynamic events. Among the related outstanding questions are the nature of jets and the basic physics behind the onset of dynamic eruptions (e.g. CMEs) in regions of EMF. More precisely, in this work we propose to investigate in a self-consistent manner (i) the acceleration mechanism of jets associated with EMF, (ii) their impact on heating the solar corona and driving the solar wind, (iii) the onset of CME-like eruptions, especially when they originate from within sigmoidal regions and (iv) the relation between CMEs, jets and EMF. While the existing observational evidence of the formation of jets and CMEs is phenomenologically consistent with theoretical models, more quantitative agreement is missing and deeper understanding of the processes at work is still elusive. The proposed research will be carried out using state-of-the-art 3D MHD simulations and high-resolution observations with the aim to provide essentially a first-principle investigation of the relevant physics of the phenomena under study.


Grant
Agency: Cordis | Branch: H2020 | Program: CSA | Phase: SEAC-1-2014 | Award Amount: 1.80M | Year: 2015

The CREATIONS coordination action aims to demonstrate innovative approaches and activities that involve teachers and students in Scientific Research through creative ways that are based on Art and focus on the development of effective links and synergies between schools and research infrastructures in order to spark young peoples interest in science and in following scientific careers. It aims to support policy development by a) demonstrating effective community building between researchers, teachers and students and empowering the latter to use, share and exploit in an innovative the collective power of unique scientific resources (research facilities, scientific instruments, advanced ICT tools, simulation and visualisation applications and scientific databases) in meaningful educational activities that build on the strengths of formal (educational field trips, virtual visits, school based masterclasses) and informal (games and student generated apps, webfests and hangouts, related artworks like science theatre or student generated exhibits, debates in the framework of junior science cafes) learning, that promote creative inquiry-based learning and appreciation of how science works, b) demonstrating effective integration of science education with infrastructures through monitored-for-impact innovative activities, which will provide feedback for the take-up of such interventions at large scale in Europe and c) documenting the whole process through the development of a roadmap that will include guidelines for the design and implementation of innovative educational and outreach activities that could act as a reference to be adapted for stakeholders in both scientific research outreach and science education policy.


Grant
Agency: Cordis | Branch: FP7 | Program: MC-ITN | Phase: FP7-PEOPLE-2012-ITN | Award Amount: 3.12M | Year: 2012

The Edusafe project is a 4-year ITN with 10 ESR and 2 ER researchers, which focuses on research into the use of Virtual Reality (VR) and Augmented Reality (AR) during planned and emergency maintenance in extreme environments (nuclear installations, space, deep sea etc). The scientific objective of this project is research into advanced VR and AR technologies for a personnel safety system platform, including features, methods and tools. Current technology is not acceptable because of significant time-lag in communication and data-transmission, missing multi-input interfaces, and simultaneous supervision of multiple workers who are working in the extreme environment. The aim is to technically advance and combine several technologies and integrate them as integral part of a personnel safety system to improve safety, maintain availability, reduce errors and decrease the time needed for scheduled or sudden interventions. The research challenges lie in the development of real-time (time-lags less than human interaction speed) data-transmission, instantaneous analysis of data coming from different inputs (vision, sound, touch, buttons), interaction with multiple on-site users, complex interfaces, portability and wearability, wear/tear. The result will be an integrated wearable VR/AR system (\control system) which can be implemented and tested as a prototype. The LHC at CERN and its existing Personnel Safety System, requirements and protocols will be used as a test and demonstration platform. The project will deliver a comprehensive local and network-wide training programme incl. several secondments for each fellow, combined with dissemination and outreach activities. The Fellows will gain valuable scientific skills and highly valued soft skills from expert and experienced organisations, which will be beneficial for their career development in academia or industry. All fellows will be offered PhD places. The project comprises 9 partners of which 3 from industry (2 SMEs).


Grant
Agency: Cordis | Branch: FP7 | Program: CSA | Phase: INFRA-2011-3.4. | Award Amount: 1.16M | Year: 2011

The Discover the COSMOS coordination action aims to demonstrate innovative ways to involve teachers and students in eScience through the use of existing e-infrastructures in order to spark young peoples interest in science and in following scientific careers. It aims to support policy development by a) demonstrating effective community building between researchers, teachers and students and empowering the latter to use, share and exploit the collective power of unique scientific resources (research facilities, scientific instruments, advanced ICT tools, simulation and visualisation applications and scientific databases) in meaningful educational activities, that promote inquiry-based learning and appreciation of how science works, b) demonstrating effective integration of science education with e-infrastructures through a monitored-for-impact use of eScience activities, which will provide feedback for the take-up of such interventions at large scale in Europe and c) documenting the whole process through the development of a roadmap that will include guidelines for the design and implementation of effective educational and outreach activities that could act as a reference to be adapted for stakeholders in both scientific research outreach and science education policy.

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