Francesco Delogu

• Materials Science
• Mechanochemistry
• Molecular Dynamics of Condensed Matter
• Thermodynamics and Kinetics of Phase Transformations

We use experiments, theory and numerical simulations to investigate the relationships between the structure of materials and their physical and chemical properties. Involving different areas of investigation within Materials Science, the research activity concerns metals, ceramics and composites with reduced dimensionality or in bulk shape, the mechanical activation of physical and chemical transformations in powders subjected to mechanical stresses, the interaction of interfaces and surfaces with their surroundings.

We aim at understanding the relationship between structure and properties of materials belonging to different classes. Primary objectives of the research activity are the description and rationalization of synthesis and fabrication processes underlying the obtainment of stable and metastable phases, and the characterization of structural, microstructural, physical and chemical properties.

1. Delogu, L. Schiffini, G. Cocco, The invariant laws of the amorphisation processes by Mechanical Alloying. Part I: experimental findings, Phil. Mag. A 81 (2001) 1917.
2. F. Delogu, G. Cocco, Molecular Dynamics investigation on the role of sliding interfaces and friction in the formation of amorphous phases, Phys. Rev. B 71 (2005) 144108
3. Delogu, A mechanistic study of Ag50Cu50 solid solution formation by mechanical alloying, Acta Mater. 56 (2008) 2344.
4. A. Humphry-Baker, S. Garroni, F. Delogu, C. A. Schuh, Melt-driven mechanochemical phase transformations, Nature Mater., 15 (2016) 1280.
5. F. Delogu, L. Takacs, Information on the Mechanism of Mechanochemical Reaction from Detailed Studies of the Reaction Kinetics, J. Mater. Sci., 53 (2018) 13331.

1. Delogu, Thermodynamics on the nanoscale, J. Phys. Chem. B 109 (2005) 21938.
2. Delogu, Structural and energetic properties of unsupported Cu nanoparticles from room temperature to the melting point: Molecular dynamics simulations, Phys. Rev. B 72 (2005) 205418.
3. Delogu, Molecular dynamics simulations of homogeneous and heterogeneous melting scenarios in metals: volume scaling and concentration of defects, Phys. Rev. B 73 (2006) 184108.
4. Delogu, Identification and characterization of potential shear transformation zones in metallic glasses, Phys. Rev. Lett. 100 (2008) 255901.
5. G. Pia, E. Sogne, A. Falqui, F. Delogu, Ag surface segregation in nanoporous Au catalysts during CO oxidation, Sci. Reports - Nature, 8 (2018) 15208.

Orcid ID: 0000-0003-2520-9057
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- Kinetics of mechanochemical transformations
- Mechanisms mediating mechanical alloying and chemical reactions