From nanoscale to printed products: Multiscale modeling and experimental characterization of graphene-enhanced polylactic acid composites for 3D printing

Atta Muhammad1, Clara Valero1, Paolo De Angelis1, Nikolaos Koutroumanis, Dionisis Semitekolos, Bárbara Jiménez, Rubén Rivera, Carlos Sáenz Ezquerro, Rajat Srivastava, Panagiotis-Nektarios Pappas, Costas Galiotis, Costas A. Charitidis, Eliodoro Chiavazzo, Pietro Asinari, Manuel Laspalas, Agustín Chiminelli, Matteo Fasano

From nanoscale to printed products: Multiscale modeling and experimental characterization of graphene-enhanced polylactic acid composites for 3D printing

Composites Part B: Engineering 298, (2025) : 112354 .

Abstract

NanocompositesMultiscale modelingCoarse-grained molecular dynamicsPolylactic acidGraphene3D printingThermal and mechanical properties

Publication Date 16/3/2025
Energy-GNoME: A Living Database of Selected Materials for Energy Applications

Paolo De Angelis, Giovanni Trezza, Giulio Barletta, Pietro Asinari, Eliodoro Chiavazzo

Energy-GNoME: A Living Database of Selected Materials for Energy Applications

arXiv (2024) .

Abstract

Advanced MaterialsEnergy MaterialsMaterials ScienceArtificial IntelligenceMachine LearningDeep LearningComputational ChemistryDatasetThermoelectricBatteryPerovskite

Publication Date 10/11/2024
Machine Learning and image analysis towards improved energy management in Industry 4.0: a practical case study on quality control

Mattia Casini, Paolo De Angelis, Marco Porrati, Paolo Vigo, Matteo Fasano, Eliodoro Chiavazzo, Luca Bergamasco

Machine Learning and image analysis towards improved energy management in Industry 4.0: a practical case study on quality control

Energy Efficiency 17, no. 5, (2024) .

Abstract

Industry 4.0Deep learningImage analysisConvolutional neural networksEnergy applications

Publication Date 10/1/2024
Enhancing ReaxFF for molecular dynamics simulations of lithium-ion batteries: an interactive reparameterization protocol

Paolo De Angelis, Roberta Cappabianca, Matteo Fasano, Pietro Asinari, Eliodoro Chiavazzo

Enhancing ReaxFF for molecular dynamics simulations of lithium-ion batteries: an interactive reparameterization protocol

Scientific Reports 14, no. 1, (2024) : 978 .

Abstract

Reactive Froce FieldReaxFFDiffusionInterfaceLithium-ionBatteryMolecular DymanicsForce Field Parametrization

Publication Date 10/1/2024
Current trends on the use of deep learning methods for image analysis in energy applications

Mattia Casini, Paolo De Angelis, Eliodoro Chiavazzo, Luca Bergamasco

Current trends on the use of deep learning methods for image analysis in energy applications

Energy and AI 15, (2023) : 100330 .

Abstract

Deep learningImage analysisConvolutional neural networksEnergy applications

Publication Date 12/12/2023
Heat Transfer and Thermal Energy Storage Enhancement by Foams and Nanoparticles

Assunta Andreozzi, Pietro Asinari, Antonio Barletta, Vincenzo Bianco, Johan Augusto Bocanegra, Pedro Vayssière Brandão, Bernardo Buonomo, Roberta Cappabianca, Michele Celli, Eliodoro Chiavazzo, Paolo De Angelis, Andrea Diani, Sauro Filippeschi, Marcello Iasiello, Oronzio Manca, Sergio Nardini, Carlo Nonino, Luisa Rossetto

Heat Transfer and Thermal Energy Storage Enhancement by Foams and Nanoparticles

Energies 16, no. 21, (2023) : 7421 .

Abstract

NanofluidsMetal foamsPhase Change Materials (PCMs)Numerical methodsMicro Computed Tomography (μCT)Local Thermal Non-Equilibrium (LTNE)Microfin tubes

Publication Date 3/11/2023
An Overview on Transport Phenomena within Solid Electrolyte Interphase and Their Impact on the Performance and Durability of Lithium-Ion Batteries

Roberta Cappabianca, Paolo De Angelis, Matteo Fasano, Eliodoro Chiavazzo, Pietro Asinari

An Overview on Transport Phenomena within Solid Electrolyte Interphase and Their Impact on the Performance and Durability of Lithium-Ion Batteries

Energies 16, no. 13, (2023) : 5003 .

Abstract

DiffusionInterfaceLithium-ionBatteryModeling

Publication Date 28/6/2023
Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular Dynamics

Roberta Cappabianca, Paolo De Angelis, Annalisa Cardellini, Eliodoro Chiavazzo, Pietro Asinari

Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular Dynamics

ACS Omega 7, no. 46, (2022) : 42292-42303 .

Abstract

AdsorptionCluster chemistryCopolymersMetal nanoparticlesOligomers

Publication Date 10/11/2022
Data-driven appraisal of renewable energy potentials for sustainable freshwater production in Africa

Paolo De Angelis, Marta Tuninetti, Luca Bergamasco, Luca Calianno, Pietro Asinari, Francesco Laio, Matteo Fasano

Data-driven appraisal of renewable energy potentials for sustainable freshwater production in Africa

Renewable and Sustainable Energy Reviews 149, (2021) : 111414 .

Abstract

Renewable energySustainable freshwaterBig dataEnergy policiesWaterWater–energy nexusAfrica

Publication Date 1/10/2021
Exploring the Free Energy Landscape To Predict the Surfactant Adsorption Isotherm at the Nanoparticle–Water Interface

Paolo De Angelis, Annalisa Cardellini, and Pietro Asinari

Exploring the Free Energy Landscape To Predict the Surfactant Adsorption Isotherm at the Nanoparticle–Water Interface

ACS Central Science 5, no. 11, (2019) : 1804-1812 .

Abstract

AdsorptionFree energyMoleculesSodium dodecyl sulfateSurfactants

Publication Date 5/11/2019