100 citations · 564 across the 24 of their papers we have counts for
24 papers
Structural Chart of Copper-Silver Nanoalloys through machine learning
Manoj Settem, Emanuele Telari, Antonio Tinti +2
Nanoalloys (or alloy nanoparticles) are an important class of materials that are promising for their functional properties. However, designing synthesis protocols to control their…
Molecular origin of slippery behaviour in tethered liquid layers
Fabio Rasera, Isaac J. Gresham, Antonio Tinti +2
Slippery covalently attached liquid surfaces (SCALS) are a family of nanothin polymer layers with remarkably low static droplet friction, characterised by a low contact angle hyste…
Inherent structural descriptors via machine learning
Emanuele Telari, Antonio Tinti, Manoj Settem +10
Finding proper collective variables for complex systems and processes is one of the most challenging tasks in simulations, which limits the interpretation of experimental and simul…
The surface tension of Martini 3 water mixtures
Lorenzo Iannetti, Sonia Cambiaso, Fabio Rasera +4
The Martini model, a coarse-grained forcefield for biomolecular simulations, has experienced a vast increase in popularity in the past decade. Its building-block approach balances…
Tailored Fabrication of 3D Nanopores with Dielectric Oxides for Multiple Nanoscale Applications
German Lanzavecchia, Anastasiia Sapunova, Ali Douaki +6
Nanopore sensing is a key technology for single-molecule detection and analysis. Solid-state nanopores have emerged as a versatile platform, since their fabrication allows to engin…
Chemical Physics of Controlled Wettability and Super Surfaces
Carolina Brito, Hans-Jürgen Butt, Alberto Giacomello
Wetting phenomena are widespread in both natural and technological contexts. Despite the well-established nature of this scientific field and our extensive knowledge of its underly…
Voltage controlled iontronic switches: a computational method to predict electrowetting in hydrophobically gated nanopores
Gonçalo Paulo, Alberto Gubbiotti, Giovanni Di Muccio +1
Reliable and controllable switches are crucial in nanofluidics and iontronics. Ion channels in nature serve as a rich source of inspiration due to their intricate mechanisms modula…
Bubbles enable volumetric negative compressibility in metastable elastocapillary systems
Davide Caprini, Francesco Battista, Pawel Zajdel +11
Although coveted in applications, few materials expand when subject to compression or contract under decompression, i.e., exhibit the negative compressibility phenomenon. A key ste…
What keeps nanopores boiling
Alberto Giacomello
The liquid to vapour transition can occur at unexpected conditions in nanopores, opening the door to fundamental questions and new technologies. The physics of boiling in confineme…
Structural transformations in Cu, Ag, and Au metal nanoclusters
Manoj Settem, Cesare Roncaglia, Riccardo Ferrando +1
Finite-temperature structures of Cu, Ag, and Au metal nanoclusters are calculated in the entire temperature range from 0 K to melting using a computational methodology that we prop…
Charting nanocluster structures via convolutional neural networks
Emanuele Telari, Antonio Tinti, Manoj Settem +3
A general method to obtain a representation of the structural landscape of nanoparticles in terms of a limited number of variables is proposed. The method is applied to a large dat…
Hydrophobically gated memristive nanopores for neuromorphic applications
Gonçalo Paulo, Ke Sun, Giovanni di Muccio +6
Brain-inspired computing has the potential to revolutionise the current von Neumann architecture, advancing machine learning applications. Signal transmission in the brain relies o…
An atomistically informed multiscale approach to the intrusion and extrusion of water in hydrophobic nanopores
Gonçalo Paulo, Alberto Gubbiotti, Alberto Giacomello
Understanding intrusion and extrusion in nanoporous materials is a challenging multiscale problem of utmost importance for applications ranging from energy storage and dissipation…
Local grafting heterogeneities control water intrusion and extrusion in nanopores
Sonia Cambiaso, Fabio Rasera, Antonio Tinti +4
Hydrophobic nanoporous materials can be intruded by water only by exerting an external action, typically increasing pressure. For some materials, water extrudes when the pressure i…
Tempering of Au nanoclusters: capturing the temperature-dependent competition among structural motifs
Manoj Settem, Riccardo Ferrando, Alberto Giacomello
A computational approach to determine the equilibrium structures of nanoclusters in the whole temperature range from 0 K to melting is developed. Our approach relies on Parallel Te…
Can one predict a drop contact angle?
Marion Silvestrini, Antonio Tinti, Alberto Giacomello +1
The study of wetting phenomena is of great interest due to the multifaceted technological applications of hydrophobic and hydrophilic surfaces. The theoretical approaches proposed…
Hierarchical macro-nanoporous metals for leakage-free high-thermal conductivity shape-stabilized phase change materials
Yaroslav Grosu, Yanqi Zhao, Alberto Giacomello +6
Impregnation of Phase Change Materials (PCMs) into a porous medium is a promising way to stabilize their shape and improve thermal conductivity which are essential for thermal ener…
Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls
Matteo Amabili, Simone Meloni, Alberto Giacomello +1
A liquid in contact with a textured surface can be found in two states, Wenzel and Cassie. In the Wenzel state the liquid completely wets the corrugations while in the Cassie state…
Collapse of superhydrophobicity on nanopillared surfaces
Matteo Amabili, Alberto Giacomello, Simone Meloni +1
The mechanism of the collapse of the superhydrophobic state is elucidated for submerged nanoscale textures forming a three-dimensional interconnected vapor domain. This key issue f…
Intrusion and extrusion of a liquid on nanostructured surfaces
Matteo Amabili, Alberto Giacomello, Simone Meloni +1
Superhydrophobicity is connected to the presence of gas pockets within surface asperities. Upon increasing the pressure this "suspended" state may collapse, causing the complete we…
Wetting and cavitation pathways on nanodecorated surfaces
Matteo Amabili, Emanuele Lisi, Alberto Giacomello +1
In this contribution we study wetting and nucleation of vapor bubbles on nanodecorated surfaces via free energy molecular dynamics simulations. The results shed light on the stabil…
Unraveling the Salvinia paradox: design principles for submerged superhydrophobicity
Matteo Amabili, Alberto Giacomello, Simone Meloni +1
The complex structure of the Salvinia molesta is investigated via rare event molecular dynamics simulations. Results show that a hydrophilic/hydrophobic patterning together with a…
Wetting hysteresis induced by nanodefects
Alberto Giacomello, Lothar Schimmele, Siegfried Dietrich
Wetting of actual surfaces involves diverse hysteretic phenomena stemming from ever-present imperfections. Here we clarify the origin of wetting hysteresis for a liquid front advan…
Mechanism of the Cassie-Wenzel transition via the atomistic and continuum string methods
Alberto Giacomello, Simone Meloni, Marcus Mueller +1
The string method is a general and flexible strategy to compute the most probable transition path for an activated process (rare event). We apply here the atomistic string method i…