Publication

Phase-transition-induced twinning in the 1 : 1 adduct of hexamethylenetetramine and azelaic acid

Publications associées (53)

Stability: a search for structure

In this thesis we study stability from several viewpoints. After covering the practical importance, the rich history and the ever-growing list of manifestations of stability, we study the following. (i) (Statistical identification of stable dynamical syste ...

EPFL2024

In-silico zein/tannic acid colloidal nanoparticles and their activity at oil and water interface of Pickering emulsion using molecular dynamics simulation

Niloufar Sharif

The computational method was used to explain the activity of zein-based colloidal nanoparticles at inter-face between water and oil phases. The alpha-zein/tannic acid colloidal nanoparticles (ZTPs) were made using three steps including dissolving alpha-zei ...

ELSEVIER2022

Room-temperature skyrmion phase in bulk Cu2OSeO3 under high pressures

Helmuth Berger

A skyrmion state in a noncentrosymmetric helimagnet displays topologically protected spin textures with profound technological implications for high-density information storage, ultrafast spintronics, and effective microwave devices. Usually, its equilibri ...

2020

Hydrogen-Bonded Small Molecules and Polymers in Organic Electronics

Bilal Özen

Organic semiconductors are important components for applications in different fields of technology, as their advantages include the possibility of low-temperature processing as well as low-cost, large-area manufacturing based on solution-based processes, c ...

EPFL2020

Iterative Unbiasing of Quasi-Equilibrium Sampling

Michele Ceriotti, Bingqing Cheng, Gareth Aneurin Tribello, Federico Giberti

Atomistic modeling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an appropriately chosen s ...

AMER CHEMICAL SOC2020

Energy domain versus time domain precursor fluctuations above the Verwey transition in magnetite

Henrik Moodysson Rønnow, Fabrizio Carbone, Gregory Scott Tucker, Simone Borroni

We study the dynamics and interactions of the critical fluctuations of the Verwey transition in magnetite (Fe3O4) in the pretransition region by means of inelastic neutron scattering experiments on a natural single crystal. We find that a Delta(5) mode int ...

AMER PHYSICAL SOC2020

A one-step mechanism for new twinning modes in magnesium and titanium alloys modelled by the obliquity correction of a (58 degrees, a+2b) prototype stretch twin

Cyril Cayron

The {11-22} and {11-26} twinning modes were recently discovered by Ostapovets et al. [Philos. Mag. (2017), 97, 1088-1101] and interpreted as {10-12}-{10-12} double twins formed by the simultaneous action of two twinning shears. Another interpretation is pr ...

Int Union Crystallography2018

First-principles investigation of phase stability in the Mg-Sc binary alloy

Anirudh Raju Natarajan

The recent discovery of shape memory behavior in Mg-Sc alloys has opened the door to the possibility of lightweight shape memory alloys. Very little is known, however, about martensitic phase transformations or about equilibrium phase stability in this all ...

APS2017

Thermal induced structural properties of silver(I) sulphate (Ag2SO4)

Philip Pattison

The crystal structures of silver(I) sulphate, Ag2SO4, have been investigated as a function of temperature. A main feature is the phase transition from the low-temperature ordered phase, F ddd, to the high-temperature disordered phase, P63/mmc. In particula ...

Wiley-Blackwell2016

Pressure dependence of the structure and electronic properties of Sr3Ir2O7

Henrik Moodysson Rønnow

We study the structural evolution of Sr3Ir2O7 as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from tetragonal to monoclinic symme ...

2016

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