The influence of solid-liquid interfacial energy anisotropy on equilibrium shapes, nucleation, triple lines and growth morphologies

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Transferable machine-learning models of complex materials: the case of GaAs

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

EPFL2021

Coupled segregation mechanisms of Sc, Zr and Mn at theta ' interfaces enhances the strength and thermal stability of Al-Cu alloys

Baptiste Thomas Jean Rouxel, Lu Jiang

The refinement and thermal stability of intermediate theta-prime (theta') precipitates are critical in the development of new high strength 2xxx series aluminium-copper (Al-Cu) alloys for high temperature applications. In this work, we use trace additions ...

PERGAMON-ELSEVIER SCIENCE LTD2021

Focusing on the liquid role in the vapour liquid solid growth mechanism

Lea Ghisalberti

In this work we dive into key questions regarding the wetting of a nanoscale droplet which provides fundamental understanding of Vapor-Liquid-Solid growth mode of nanowires. This understanding is important to performreproducible NW fabrication and allow th ...

EPFL2021

Multiscale Modeling Strategy of 2D Covalent Organic Frameworks Confined at an Air-Water Interface

Andres Adolfo Ortega Guerrero

Two-dimensional covalent organic frameworks (2D COFs) have attracted attention as versatile active materials in many applications. Recent advances have demonstrated the synthesis of monolayer 2D COF via an air-water interface. However, the interfacial 2D p ...

AMER CHEMICAL SOC2021

Anomalous interfacial dynamics of single proton charges in binary aqueous solutions

Aleksandra Radenovic, Evgenii Glushkov, Jean Camille Benjamin Comtet, Ahmet Avsar, Miao Zhang

Our understanding of the dynamics of charge transfer between solid surfaces and liquid electrolytes has been hampered by the difficulties in obtaining interface, charge, and solvent-specific information at both high spatial and temporal resolution. Here, w ...

AMER ASSOC ADVANCEMENT SCIENCE2021

Vibration monitoring based on optical sensing of mechanical nonlinearities in glass suspended waveguides

Yves Bellouard, Tao Yang, Pieter Vlugter, Enrico Casamenti

Vibration monitoring plays a key role in numerous applications, including machinerypredictive maintenance, shock detection, space applications, packaging-integrity monitoring andmining. Here, we investigate mechanical nonlinearities inherently present in s ...

2021

3D Ordering at the Liquid-Solid Polar Interface of Nanowires

Anna Fontcuberta i Morral, Michele Ceriotti, Cécile Hébert, Duncan Thomas Lindsay Alexander, Gözde Tütüncüoglu, Martin George Friedl, Luca Francaviglia, Mahdi Zamani, Nicolas Tappy, Giulio Imbalzano

The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic t ...

Wiley2020

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

EPFL2020

Influence of Minor Cr Additions on Crystal Growth in Rapidly Solidified Al-20Zn Alloys

Michel Rappaz

It has been discovered quite recently that Icosahedral Short-Range Order (ISRO) of atoms in the liquid phase of metallic alloys surrounding some trace elements added to the melt can influence both the nucleation and growth of the primary phase. In this wor ...

2020

Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello

Macroscopic models of nucleation provide powerful tools for understanding activated phase transition processes. These models do not provide atomistic insights and can thus sometimes lack material-specific descriptions. Here, we provide a comprehensive fram ...

AMER INST PHYSICS2020

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Coupled segregation mechanisms of Sc, Zr and Mn at theta ' interfaces enhances the strength and thermal stability of Al-Cu alloys

Baptiste Thomas Jean Rouxel, Lu Jiang

PERGAMON-ELSEVIER SCIENCE LTD2021