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Opportunities in Environmental Modelling

Opportunities in Environmental Modelling. Martin Dove Department of Earth Sciences, University of Cambridge and National Institute for Environmental eScience. The Grid.

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Opportunities in Environmental Modelling

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  1. Opportunities in Environmental Modelling Martin Dove Department of Earth Sciences, University of Cambridge and National Institute for Environmental eScience

  2. The Grid Grid computing is concerned with "coordinated resource sharing and problem solving in dynamic, multi-institutional virtual organizations." The key concept is the ability to negotiate resource-sharing arrangements among a set of participating parties (providers and consumers) and then to use the resulting resource pool for some purpose. (Ian Foster 1998)

  3. Environmental eScience and the Grid Environmental eScience: • Environmental science using distributed global collaborations enabled by the internet • Environmental science requiring very large data sets, large scale computing resources, and high-performance visualisation

  4. Environmental eScience and the Grid Environmental eScience: • Environmental science using distributed global collaborations enabled by the internet • Environmental science requiring very large data sets, large scale computing resources, and high-performance visualisation Grid: • harnesses technologies to facilitate communications, distributed data store, and distributed computing

  5. Environmental eScience From global ... … to molecular

  6. Multidisciplinary enterprise Earth Sciences Geography Mathematics Chemistry Plus specialist departments and centres, such as meteorology and oceanography, together with biological and environmental sciences

  7. Ocean modelling Variations in height Variations in temperature

  8. Earth observation Challenges for data assimilation and archiving

  9. Volcano observations and modelling Satellite data coupled to computer simulations

  10. Large particle motions Simulations of particle flow, giving insights into large-scale events such as long fall-out landslides and erosion

  11. NERC escience projects Myles Allen (Oxford University, Physics) Climateprediction.com: distributed computing for global climate research (+ RAL, Open University) Keith Haines (Reading University, Environmental Systems Science Centre) Grid for Environmental Systems Diagnostics and Visualisation (GODIVA) (+ Southampton, Imperial, Manchester CSAR, RAL) Paul Valdes (Reading University, Meteorology) Grid Enabled Integrated Earth system model (GENIE). A modular, distributed and scaleable Earth System Model for long-term and palaeo-climate studies (+ Southampton, CEH Edinburgh, CEH Wallingford, Imperial, Bristol, UEA) Bryan Lawrence (British Atmospheric Data Centre, RAL) The NERC DataGrid (+ RAL, DL, BODC) Martin Dove (Cambridge, Earth Sciences) Environment from the molecular level (+ Reading, London, Daresbury Laboratory, Bath)

  12. Molecular environmental issues Radioactive waste disposal Pollution: molecules and atoms on mineral surfaces Crystal dissolution and weathering Crystal growth and scale inhibition

  13. Molecular environmental issues Radioactive waste disposal Pollution: molecules and atoms on mineral surfaces Crystal dissolution and weathering Crystal growth and scale inhibition

  14. Adsorption of organic molecules on mineral surfaces Aim is to investigate microscopic basis for binding of organic pollutant molecules (e.g. PCB, DDTs, dioxins) on solid matter of soils (minerals)

  15. Adsorption of organic molecules on mineral surfaces Quantum mechanical calculations of binding energies of chlorinated aromatic molecules on mineral surfaces

  16. Adsorption of organic molecules on mineral surfaces

  17. Adsorption of organic molecules on mineral surfaces Calculation of binding energy for different positions of molecule on surface

  18. Adsorption of organic molecules on mineral surfaces Calculation of binding energy for different numbers of chlorine atoms in molecule

  19. Studies of radiation damage for nuclear containment

  20. Studies of radiation damage for nuclear containment Short-term solutions: long term planning now essential with potential increase use of nuclear power and arms reductions

  21. Studies of radiation damage for nuclear containment Nature is known to have encapsulated radioactive isotopes in minerals such as zircon (ZrSiO4) over geological time scales

  22. Studies of radiation damage for nuclear containment Initial work was with recoil energies that are too low by more than a factor of 20 due to computational restrictions, but still showing basic insights

  23. Studies of radiation damage for nuclear containment We observe rebonding of atoms, leading to polymerisation of silica units consistent with experimental data This result is of great importance with respect to the long-term behaviour of the damaged material

  24. Studies of radiation damage for nuclear containment We can now reach realistic recoil energies of 70 eV These simulations show the structural damage caused by radioactive decay Does the damage impact on potential as encapsulation matrix?

  25. Studies of radiation damage for nuclear containment We are now tackling the issue of repeated radioactive decay events Note large deflection of recoil atom and damage Aim is to understand large (20%) volume swelling and potential leaching pathways

  26. Studies of radiation damage for nuclear containment Ratio (r) of number of damaged regions in surface cluster to the total of damaged regions as function of concentration (p), giving percolation point Volume swelling (f) calculated from percolation model

  27. National Institute for Environmental eScience

  28. Objectives of the NIEeS Application of GRID technology to the environmental sciences will facilitate the development of coupled, integrated earth-system models, and thus improve understanding of interactions within the earth system and predictions of how it changes.

  29. Objectives of the NIEeS Application of GRID technology to the environmental sciences will facilitate the development of coupled, integrated earth-system models, and thus improve understanding of interactions within the earth system and predictions of how it changes. However, environmental scientists will need to become well-versed in the necessary data-gathering, assimilation, visualisation, computational and analytical methods. Achieving this will require interaction amongst environmental scientists, mathematicians and computer scientists.

  30. Objectives of the NIEeS The National Institute for Environmental eScience will provide a framework for this interaction, through community-building and training activities, workshops and short courses, network facilitation and demonstration projects. However, environmental scientists will need to become well-versed in the necessary data-gathering, assimilation, visualisation, computational and analytical methods. Achieving this will require interaction amongst environmental scientists, mathematicians and computer scientists.

  31. Activities of the NIEeS Based on the model of the Isaac Newton Institute for Mathematical Sciences Will hold series of community-driven short courses, workshops and demonstration projects Will act as focus for collaborations between researchers, drawing on expertise of the Cambridge eScience Centre and other centres

  32. Key personnel Scientific Steering Committee Management Committee Technical coordinator Science coordinator Director Plus share of director of NERC GEFD Summer School, and administrative support

  33. First few months of the NIEeS Launched with workshops on 8–10 July Followed by short course on molecular modelling Workshop on data and metadata in September Workshops on visualisation and modeling of radiation damage in January Meetings on discrete element modelling and earth systems modelling in April

  34. From the photo album!

  35. Demonstration projects First stage: set up demonstration of GRID tools (condor, globus, collaboratory) on research network of heterogeneous platforms (PC cluster, silicon graphics workstations, Linux and NT PCs, plus link to high performance facilities Condor

  36. Demonstration projects First stage: set up demonstration of GRID tools (condor, globus, collaboratory) on research network of heterogeneous platforms (PC cluster, silicon graphics workstations, Linux and NT PCs, plus link to high performance facilities Second stage: routine running of modelling codes for atomistic simulations, with link to portal Condor Third stage: Mount programs with partner groups

  37. Summary eScience has appeared from nowhere to be one of the big science areas of the UK NERC is managing an exciting portfolio of large escience projects The National Institute for Environmental eScience aims to support development of eScience projects, and use of eScience technologies, within the UK environmental science community

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