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Daniele Dragoni

Cette personne a quitté l’EPFL

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Publications associées (4)

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Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

Nicola Marzari, William Curtin, Francesco Maresca, Daniele Dragoni

The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations, which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pai ...

2018

Thermoelastic properties of alpha-iron from first-principles

Nicola Marzari, Daniele Dragoni

We calculate the thermomechanical properties of alpha-iron, and in particular its isothermal and adiabatic elastic constants, using first-principles total-energy and lattice-dynamics calculations, minimizing the quasiharmonic vibrational free energy under ...

American Physical Society2015

Energetics and thermodynamics of α-iron from first-principles and machine-learning potentials

Daniele Dragoni

Iron is a material of fundamental importance in the industrial and economic processes of our society as it is the major constituent of steels. With advances in computational science, much progress has been made in the understanding of the microscopic mecha ...

EPFL2016

Statics and dynamics of multivalley charge density waves in Sb (111)

Davide Campi, Daniele Dragoni

Charge density waves (CDWs), periodic modulations of the charge density, are among the most abundant and non-trivial ordered phases in condensed matter. Here we demonstrate the occurrence of multi-valley charge density waves (MV-CDW) on the semimetal Sb(11 ...

Springer2019