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Mechanical properties of C60 at finite temperature from first-principles calculations

Diamond and related materials, 2022-03, Vol.123, p.108870, Article 108870

Pizzagalli, L.

2022

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Stability and mobility of screw dislocations in 4H, 2H and 3C silicon carbide

Acta materialia, 2014-10, Vol.78, p.236-244

Pizzagalli, L.

2014

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Ab initio modeling of dislocation core properties in metals and semiconductors

Acta materialia, 2017-02, Vol.124, p.633-659

2017

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Accurate values of 3C, 2H, 4H, and 6H SiC elastic constants using DFT calculations and heuristic errors corrections

Philosophical magazine letters, 2021-06, Vol.101 (6), p.242-252

Pizzagalli, L.

2021

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Ultrahigh Strength and Plasticity Mechanisms of Si and SiC Nanoparticles Revealed by First-Principles Molecular Dynamics

Physical review letters, 2023-12, Vol.131 (23), p.236201, Article 236201

2023

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Atomistic modeling of point defect contributions to swelling in Xe-implanted silicon carbide

Journal of nuclear materials, 2018-12, Vol.512, p.349-356

Pizzagalli, L.

2018

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Atomistic modeling of the dissociation of a screw dislocation in silicon

Journal of materials science, 2016-03, Vol.51 (6), p.2869-2876

Pizzagalli, L

2016

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Atomistic simulations of a helium bubble in silicon carbide

Journal of nuclear materials, 2020-04, Vol.531, p.151990, Article 151990

2020

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Finite-temperature mechanical properties of nanostructures with first-principles accuracy

Physical review. B, 2020-09, Vol.102 (9), p.1, Article 094102

Pizzagalli, L.

2020

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Low-temperature intrinsic plasticity in silicon at small scales

Acta materialia, 2018-12, Vol.161, p.54-60

2018

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Evolution of the properties of helium nanobubbles during in situ annealing probed by spectrum imaging in the transmission electron microscope

Physical review. B, 2018-03, Vol.97 (10), Article 104102

2018

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Elastic limit for surface step dislocation nucleation in face-centered cubic metals: Temperature and step height dependence

Acta materialia, 2010-07, Vol.58 (12), p.4182-4190

2010

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Onset of plasticity in zirconium in relation with hydrides precipitation

Acta materialia, 2016-08, Vol.114, p.126-135

2016

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A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon

Journal of physics. Condensed matter, 2013-02, Vol.25 (5), p.055801-055801

2013

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Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)

Scientific reports, 2017-09, Vol.7 (1), p.11966-9, Article 11966

2017

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Properties of helium bubbles in covalent systems at the nanoscale: A combined numerical and experimental study

Physical review. B, 2017-07, Vol.96 (1), Article 014110

2017

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Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide

Physical review. B, Condensed matter and materials physics, 2005-10, Vol.72 (16), p.161202.1-161202.4, Article 161202

2005

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Migration of noble gas atoms in interaction with vacancies in silicon

Semiconductor science and technology, 2015-08, Vol.30 (8), p.85022

2015

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In situ controlled modification of the helium density in single helium-filled nanobubbles

Journal of applied physics, 2014-03, Vol.115 (12)

2014

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Properties of threading screw dislocation core in wurtzite GaN studied by Heyd-Scuseria-Ernzerhof hybrid functional

Applied physics letters, 2013-12, Vol.103 (26)

2013

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First principles calculation of noble gas atoms properties in 3C–SiC

Journal of nuclear materials, 2012-10, Vol.429 (1-3), p.329-334

2012

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Molecular dynamics simulation of the initial stages of He bubbles formation in silicon

Modelling and simulation in materials science and engineering, 2013-09, Vol.21 (6), p.65002-13

2013

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An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures

Journal of physics. Condensed matter, 2010-01, Vol.22 (3), p.035802-035802 (13)

2010

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Digital Twin as Industrial Robots Manipulation Validation Tool

Robotics (Basel), 2022-10, Vol.11 (5), p.113

2022

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Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in silicon

Computational materials science, 2014-12, Vol.95, p.149-158

2014

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Mechanical properties of C60 at finite temperature from first-principles calculations

Stability and mobility of screw dislocations in 4H, 2H and 3C silicon carbide

Ab initio modeling of dislocation core properties in metals and semiconductors

Accurate values of 3C, 2H, 4H, and 6H SiC elastic constants using DFT calculations and heuristic errors corrections

Ultrahigh Strength and Plasticity Mechanisms of Si and SiC Nanoparticles Revealed by First-Principles Molecular Dynamics

Atomistic modeling of point defect contributions to swelling in Xe-implanted silicon carbide

Atomistic modeling of the dissociation of a screw dislocation in silicon

Atomistic simulations of a helium bubble in silicon carbide

Finite-temperature mechanical properties of nanostructures with first-principles accuracy

Low-temperature intrinsic plasticity in silicon at small scales

Evolution of the properties of helium nanobubbles during in situ annealing probed by spectrum imaging in the transmission electron microscope

Elastic limit for surface step dislocation nucleation in face-centered cubic metals: Temperature and step height dependence

Onset of plasticity in zirconium in relation with hydrides precipitation

A new parametrization of the Stillinger-Weber potential for an improved description of defects and plasticity of silicon

Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSi overlayer on Si(001)

Properties of helium bubbles in covalent systems at the nanoscale: A combined numerical and experimental study

Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide

Migration of noble gas atoms in interaction with vacancies in silicon

In situ controlled modification of the helium density in single helium-filled nanobubbles

Properties of threading screw dislocation core in wurtzite GaN studied by Heyd-Scuseria-Ernzerhof hybrid functional

First principles calculation of noble gas atoms properties in 3C–SiC

Molecular dynamics simulation of the initial stages of He bubbles formation in silicon

An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures

Digital Twin as Industrial Robots Manipulation Validation Tool

Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in silicon

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