PHDBINA

Computing Phase Diagrams of Binary Nanoalloys

 Coordinatore THE UNIVERSITY OF BIRMINGHAM 

 Organization address address: Edgbaston
city: BIRMINGHAM
postcode: B15 2TT

contact info
Titolo: Ms.
Nome: May
Cognome: Chung
Email: send email
Telefono: 441214000000
Fax: 441214000000

 Nazionalità Coordinatore United Kingdom [UK]
 Totale costo 201˙392 €
 EC contributo 201˙392 €
 Programma FP7-PEOPLE
Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
 Code Call FP7-PEOPLE-2010-IEF
 Funding Scheme MC-IEF
 Anno di inizio 2011
 Periodo (anno-mese-giorno) 2011-10-01   -   2013-09-30

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    THE UNIVERSITY OF BIRMINGHAM

 Organization address address: Edgbaston
city: BIRMINGHAM
postcode: B15 2TT

contact info
Titolo: Ms.
Nome: May
Cognome: Chung
Email: send email
Telefono: 441214000000
Fax: 441214000000

UK (BIRMINGHAM) coordinator 201˙392.80

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 Word cloud

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chemical    binary    temperature   

 Obiettivo del progetto (Objective)

'The geometrical structures and chemical ordering (mixing/segregation) of binary nanoclusters (nanoalloys) are critical in determining their physical properties and their chemical reactivity – including their catalytic activity. The variation of these properties with cluster size and elemental composition, as well as temperature, are therefore of significant technological interest. In this project, we propose to carry out an extensive study of several key, representative binary nanoalloy systems within a unified methodological framework, combining zero Kelvin minimization and finite temperature Monte Carlo simulation, in order to obtain quantitative phase diagrams. An important aspect of the project is the combination of theoretical research carried out in the laboratory of the scientist in charge with experimental electron microscopy measurements performed by one of the collaborators within the host institution, the University of Birmingham.'

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