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eScience for molecular-scale simulations and the eMinerals project

E.K.H Salje, E Artacho, K.F Austen, R.P Bruin, M Calleja, H.F Chappell, G.-T Chiang, M.T Dove, I Frame, A.L Goodwin, K Kleese van Dam, A Marmier (+7 others)
2009 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
Technological developments include integration of compute and data systems, developing of collaborative frameworks and new researcher-friendly tools for grid job submission, XML data representation, information  ...  A number of diverse science applications will illustrate how these tools are being used for large parameter-sweep studies, an emerging type of study for which the integration of computing, data and collaboration  ...  We are particularly grateful to Jonathan Churchill and colleagues in the STFC eScience Centre for porting the grid tools developed by the eMinerals project onto the NGS.  ... 
doi:10.1098/rsta.2008.0195 pmid:19087935 fatcat:ltlc73ugpzdvfppw73ounrmaju

The influence of magma ocean crystallization on mantle dynamics

Maxime Maurice Olivier, Technische Universität Berlin, Nicola Tosi
2020
In this thesis, we use mantle convection tools to study the effects of the early onset of solid-state dynamics in a solidifying mantle.  ...  In this case, solid-state dynamics can set in before the end of the magma ocean's lifetime, nducing peculiar regimes of mantle mixing and thermal feedback mechanisms.  ...  We can nevertheless adapt the present model to investigate the data from Taylor et al. (2009) . In this case, KREEP is only fitted using the Lu-Hf system.  ... 
doi:10.14279/depositonce-11022 fatcat:f4u5tm3eefhtpd5yrxv42kbb5q