Publication

First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-xAlxN1-y

Publications associées (31)

Phase separation of self-propelled disks with ferromagnetic and nematic alignment

Ignacio Pagonabarraga Mora, Elena Sesé Sansa

We present a comprehensive study of a model system of repulsive self-propelled disks in two dimensions with ferromagnetic and nematic velocity alignment interactions. We characterize the phase behavior of the system as a function of the alignment and self- ...

AMER PHYSICAL SOC2021

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

Time-Synchronization Attack Detection in Unbalanced Three-Phase Systems

Jean-Yves Le Boudec, Mario Paolone, Marguerite Marie Nathalie Delcourt, Gyorgy Miklos Dan

Phasor measurement units (PMU) rely on an accurate time-synchronization to phase-align the phasors and timestamp the voltage and current phasor measurements. Among the symmetrical components computed from the phasors in three-phase systems, the standard pr ...

2021

Is a Single Conformer Sufficient to Describe the Reorganization Energy of Amorphous Organic Transport Materials?

Anne-Clémence Corminboeuf, Kun-Han Lin, Iwona Swiderska, Hélène Wu, Raimon Fabregat I De Aguilar-Amat, Jacob Terence Blaskovits

The reorganization energy (lambda), which quantifies the structural rearrangement of a molecule when accommodating a charge, is a key parameter in the evaluation of charge mobility in molecular solids. However, it is unclear how lambda is influenced by con ...

AMER CHEMICAL SOC2021

Insights into the microbial reduction of pentavalent and hexavalent uranium species by Shewanella oneidensis MR-1

Margaux Camille Andréa Molinas

Decades of uranium-related activities such as ore mining, nuclear power generation, weapon manufacture, storage of nuclear wastes, have contributed to the release of U in the environment. U occurrence is concerning, since in surface environments, U is typi ...

EPFL2021

A quantum magnetic analogue to the critical point of water

Mohamed Zayed, Ludger Weber, Frédéric Mila, Bruce Normand, Henrik Moodysson Rønnow, Julio Antonio Larrea Jiménez, Kazimierz Conder, Ellen Fogh, Christian Rüegg

At the liquid-gas phase transition in water, the density has a discontinuity at atmospheric pressure; however, the line of these first-order transitions defined by increasing the applied pressure terminates at the critical point(1), a concept ubiquitous in ...

2021

Solidification of Metallic Alloys: Does the Structure of the Liquid Matter?

Michel Rappaz, Güven Kurtuldu

In 1952, Frank (Proc R Soc Lond Ser-Math Phys Sci 215:43-46, 1952) already postulated that Icosahedral Short Range Order (ISRO) of atoms in the liquid could possibly explain the large nucleation undercoolings measured in metallic alloys by Turnbull and Fis ...

SPRINGER2020

Photoemission from non-polar aromatic molecules in the gas and liquid phase

Majed Chergui, Frank van Mourik, Christopher Alexander Arrell, Lars-Hendrik Mewes, José Javier Pancracio Ojeda Andara, Jakob Grilj, Luca Longetti

The photoelectron spectra of both liquid and gas phase aromatic molecules are reported. The spectra were obtained using a 34.1 eV source produced by high harmonic generation and analysed with the help of high-level ab initio simulations using the reflectio ...

ROYAL SOC CHEMISTRY2020

Measurement of the Gas Velocity in a Water-Air Mixture in CROCUS Using Neutron Noise Techniques

Pavel Frajtag, Andreas Pautz, Oskari Ville Pakari, Vincent Pierre Lamirand, Mathieu Hursin

The possibility of measuring the gas-phase velocity in a two-phase mixture through the use of neutron noise techniques is demonstrated in the zero-power reactor CROCUS of the Ecole Polytechnique Federale de Lausanne. It is the first step toward the experim ...

TAYLOR & FRANCIS INC2020

Fluorination of Organic Spacer Impacts on the Structural and Optical Response of 2D Perovskites

Mohammad Khaja Nazeeruddin, Valentin Ianis Emmanuel Queloz, Tom Theodorus Antonius Lummen, Giulia Grancini, Inés Garcia Benito, Pietro Caprioglio

Low-dimensional hybrid perovskites have triggered significant research interest due to their intrinsically tunable optoelectronic properties and technologically relevant material stability. In particular, the role of the organic spacer on the inherent stru ...

2020

Phase behaviour and structure of a model biomolecular condensate

Julian Charles Shillcock

Phase separation of immiscible fluids is a common phenomenon in polymer chemistry, and is recognized as an important mechanism by which cells compartmentalize their biochemical reactions. Biomolecular condensates are condensed fluid droplets in cells that ...

2020