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Atomistic Simulations of the Crystallization and Aging of GeTe Nanowires

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In this work, a level-set based finite element method was used to numerically evaluate the mechanical behavior in a small deformation range of semi-solid materials with different microstructure configurations. For this purpose, a finite element model of th ...

Institute of Physics2017

Stabilization of the Amorphous Structure of Spray-Dried Drug Nanoparticles

Esther Amstad

The bioavailability of hydrophobic drugs strongly increases if they are formulated as amorphous materials because the solubility of the amorphous phase is much higher than that of the crystal. Moreover, the stability of these particles against crystallizat ...

Amer Chemical Soc2016

Solid-liquid interfacial free energy out of equilibrium

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello

The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature, in out-of-equili ...

2015

Structure and electronic properties of AlCrOxN1-x thin films deposited by reactive magnetron sputtering

Alireza Karimi, Emad Oveisi, Hossein Najafi

In this study, the main attempt is devoted to investigating the microstructure and electronic properties of AlCrOxN1 - x films in a wide range of oxygen concentrations from 0 to 1. These oxynitride films were deposited by pulsed DC magnetron sputtering fro ...

Elsevier Science Sa2014

Fast Crystallization of the Phase Change Compound GeTe by Large-Scale Molecular Dynamics Simulations

Giacomo Francesco Leonardo Miceli, Federico Giberti

Phase change materials are of great interest as active layers in rewritable optical disks and novel electronic nonvolatile memories. These applications rest on a fast and reversible transformation between the amorphous and crystalline phases upon heating, ...

Amer Chemical Soc2013

Arrested demixing opens route to bigels

Nicolas Dorsaz, Francesco Varrato, Giuseppe Foffi, Maxim Belushkin

Understanding and, ultimately, controlling the properties of amorphous materials is one of the key goals of material science. Among the different amorphous structures, a very important role is played by colloidal gels. It has been only recently understood ...

Natl Acad Sciences2012

Liquid-solid transition in fully ionized hydrogen at ultra-high pressures

Elisa Liberatore

We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...

American Institute of Physics2011

Study of Nanometric Machining in Crystalline Solids Using Molecular Dynamics

Jean-François Molinari, Guillaume Anciaux, Pedro Romero

Due to the current interest in nanotechnology, there is a strong desire for comprehensive knowledge on the underlying mechanisms governing the nanometric machining process. This article employs molecular dynamics to study nanomachining in ductile crystalli ...

2010

Multiscale Modelling of Irradiation Induced Effects on the Plasticity of Fe and Fe-Cr

Seyed Masood Hafez Haghighat

Degradation of mechanical properties due to nanometric irradiation induced defects is one of the challenging issues in designing ferritic materials for future nuclear fusion reactors. Various types of defects, namely dislocation loops, voids, He bubbles an ...

EPFL2010

We study the state of a nanometric helium bubble in bcc-iron as a function of temperature and He content using atomistic calculations. It appears that up to moderate temperatures the Fe lattice can conﬁne He to solid state, in good agreement with known sol ...

2009