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Status : Active
Australian State/Territory : VIC
Research Topic : density
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Condensed Matter Modelling and Density Functional Theory (3)
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Condensed matter modelling and density functional theory (1)
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  • Researchers (14)
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  • Active Funded Activity

    Sustaining And Strengthening Merit-based Access To National Computational Infrastructure.

    Funder
    Australian Research Council
    Funding Amount
    $4,320,000.00
    More information
    Active Funded Activity

    Discovery Projects - Grant ID: DP240101215

    Funder
    Australian Research Council
    Funding Amount
    $456,742.00
    Summary
    Liquid Metal Interfaces – A Novel Platform for Catalysis. This project aims to develop the basic design principles that govern the performance of liquid metal alloy catalysts for the methane pyrolysis reaction and manufacturing of ammonia. The project expects to generate new knowledge in understanding the reaction dynamics occurring at the gas-liquid metal interface under true working conditions and the composition-catalytic activity relationships of multi-component liquid alloy catalysts throug .... Liquid Metal Interfaces – A Novel Platform for Catalysis. This project aims to develop the basic design principles that govern the performance of liquid metal alloy catalysts for the methane pyrolysis reaction and manufacturing of ammonia. The project expects to generate new knowledge in understanding the reaction dynamics occurring at the gas-liquid metal interface under true working conditions and the composition-catalytic activity relationships of multi-component liquid alloy catalysts through a combined experimental and computational/theoretical approach. The expected outcomes are new liquid metal alloys that open the gateway to a new dimension of catalytic applications. The project should benefit Australia’s key societal challenges of emissions reduction, hydrogen storage and food security.
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    Active Funded Activity

    Discovery Projects - Grant ID: DP210101451

    Funder
    Australian Research Council
    Funding Amount
    $470,000.00
    Summary
    From One Structure to Another for Improved Materials Design. This project aims to characterise a new way of generating strengthening precipitate structures for lightweight aluminium alloys. Precipitation in the solid state is key to the performance of many materials, but is especially important for light alloys used in structural applications. This project expects to deliver greater fundamental understanding of precipitation mechanisms and generate experimental and computational methods for thre .... From One Structure to Another for Improved Materials Design. This project aims to characterise a new way of generating strengthening precipitate structures for lightweight aluminium alloys. Precipitation in the solid state is key to the performance of many materials, but is especially important for light alloys used in structural applications. This project expects to deliver greater fundamental understanding of precipitation mechanisms and generate experimental and computational methods for three-dimensional characterisation and simulations at the atomic-scale of embedded nanostructures. This should provide significant benefits for the improved design of light alloys, such as for the automotive and aerospace sectors, but also for high-tech materials whose function depends on precipitates.
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    Active Funded Activity

    Discovery Projects - Grant ID: DP200101217

    Funder
    Australian Research Council
    Funding Amount
    $660,000.00
    Summary
    Design and Fabrication of 2D Hybrid Materials. There are >300 2D materials like graphene with potentially exotic and useful electrooptic and superconductor properties that will drive novel industrial applications. This project aims to use advanced computational and experimental techniques to discover and fabricate new 2D hybrid materials built from different layers of 2D materials. This approach is essential as the number of possible hybrids is huge (millions) and current processes to identify a .... Design and Fabrication of 2D Hybrid Materials. There are >300 2D materials like graphene with potentially exotic and useful electrooptic and superconductor properties that will drive novel industrial applications. This project aims to use advanced computational and experimental techniques to discover and fabricate new 2D hybrid materials built from different layers of 2D materials. This approach is essential as the number of possible hybrids is huge (millions) and current processes to identify and build 2D hybrids are technically challenging and slow. Expected outcomes include defining a new paradigm for efficient identification and synthesis of 2D hybrids with exotic, bespoke properties. The generation of a large database of materials for researchers/industry would be of wide benefit.
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    Showing 1-4 of 4 Funded Activites

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