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  1. Article

    Open Access

    Thermal transport in H-terminated ultrathin [110] Si nanowires: a first principles study

    Phonon properties of ultrathin Si nanowires in [110] direction have been calculated by density functional perturbation theory. Several samples with varying diameters ranging from 0.38 to 1.5 nm have been inves...

    Konstanze R. Hahn, Claudio Melis, Fabio Bernardini… in The European Physical Journal Plus (2023)

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  2. Article

    Open Access

    Stiffening of nanoporous gold: experiment, simulation and theory

    By combining electron microscopy measurements, atomistic simulations and elastic homogenization theory, we theoretically investigate the Young’s modulus of nanoporous Au structures. Based on atomistic replicas...

    Claudio Melis, Giorgio Pia, Elisa Sogne… in The European Physical Journal Plus (2022)

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  3. Article

    Open Access

    The interplay of chemical structure, physical properties, and structural design as a tool to modulate the properties of melanins within mesopores

    The design of modern devices that can fulfil the requirements for sustainability and renewable energy applications calls for both new materials and a better understanding of the mixing of existing materials. A...

    Alessandro Pira, Alberto Amatucci, Claudio Melis, Alessandro Pezzella… in Scientific Reports (2022)

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  4. Article

    Phonon Scattering in Silicon by Multiple Morphological Defects: A Multiscale Analysis

    Ideal thermoelectric materials should possess low thermal conductivity \(\kappa \) κ ...

    Bruno Lorenzi, Riccardo Dettori, Marc T. Dunham… in Journal of Electronic Materials (2018)

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  5. No Access

    Article

    SixGe1-x alloy as efficient phonon barrier in Ge/Si superlattices for thermoelectric applications

    By means of atomistic simulations we study how thermal transport is affected by several chemical and morphological parameters in Ge/Si superlattices. We predict thermal conductivity as a function of the alloy...

    Riccardo Dettori, Claudio Melis, Luciano Colombo in The European Physical Journal B (2015)

  6. No Access

    Article

    Effect of structural features on the thermal conductivity of SiGe-based materials

    Approach-to-equilibrium molecular dynamics have been utilized to investigate the thermal transport in SiGe-based materials focusing on the effect of structural changes while the chemical composition has been k...

    Konstanze R. Hahn, Claudio Melis, Luciano Colombo in The European Physical Journal B (2014)

  7. No Access

    Article

    Calculating thermal conductivity in a transient conduction regime: theory and implementation

    We present a molecular dynamics method addressed to the calculation of the lattice thermal conductivity during the transient regime of approach to equilibrium from an initial condition of nonuniform temperatu...

    Claudio Melis, Riccardo Dettori, Simon Vandermeulen… in The European Physical Journal B (2014)