Dielectric Response of Imidazolium-Based Room-Temperature Ionic Liquids

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Multi-scale approach for the prediction of atomic scale properties

Michele Ceriotti, Andrea Grisafi, Jigyasa Nigam

Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

2021

Optical properties of in vacuo lithiated nanoporous WO3:Mo thin films as determined by spectroscopic ellipsometry

Andreas Schueler, Josef Andreas Schuler, Olivia Valérie Charlotte Bouvard, Luc Burnier, Maxime Lagier, Aurélien Bertinotti

Incorporation of Mo into pure WO3 thin films is of interest for electrochromic devices, as it improves colour neutrality in the dark state. Existing literature still lacks reliable quantitative data on the complex dielectric function of such coatings. In t ...

2021

Low-Frequency Dielectric Response of Tetragonal Perovskite CH3NH3PbI3

Alfredo Pasquarello, Ethan Alexandre Berger, Julia Anna Wiktor

The dielectric properties of tetragonal hybrid perovskite CH3NH3PbI3 are studied through molecular dynamics at a temperature of 300 K in the presence of a finite electric field. The high-frequency dielectric constant epsilon(infinity), is found to be 4.5 a ...

AMER CHEMICAL SOC2020

Phase transitions, screening and dielectric response of CsPbBr3

Dominik Józef Kubicki

Cesium-lead-bromide (CsPbBr3) is the simplest all inorganic halide perovskite. It serves as a reference material for understanding the exceptional solar cell properties of the organic-inorganic hybrid halide perovskites and is itself discussed as an altern ...

Royal Society of Chemistry2020

Interface-Dominated Time-Dependent Behavior of Poled Poly(Vinylidene Fluoride–Trifluoroethylene)/Barium Titanate Composites

Dragan Damjanovic, Yves Leterrier, Véronique Michaud, Sara Dalle Vacche

Composites in which particles of ferroelectric ceramic phase are randomly dispersed in a polymeric matrix are of interest because of flexibility, conformability, and ease of processing. However, their piezoelectric properties are rather low, unless very hi ...

2020

Individual Barkhausen Pulses of Ferroelastic Nanodomains

Dragan Damjanovic, Vasiliki Tileli, Reinis Ignatans

Ferroelectric materials, upon electric field biasing, display polarization discontinuities known as Barkhausen jumps, a subclass of a more general phenomenon known as crackling noise. Herein, we follow at the nanoscale the motion of 90 degree needle domain ...

2021

MyDEP: A New Computational Tool for Dielectric Modeling of Particles and Cells

Philippe Renaud, Jonathan Bastien Cottet

Dielectrophoresis (DEP) and electrorotation (ROT) are two electrokinetic phenomena exploiting nonuniform electric fields to exert a force or torque on biological particles suspended in liquid media. They are widely used in lab-on-chip devices for the manip ...

2019

SIMPLE code: Optical properties with optimal basis functions

Paolo Umari, Nicola Marzari, Gianluca Prandini

We present SIMPLE, a code developed to calculate optical properties of metallic and insulating extended systems using the optimal basis method originally proposed by E.L. Shirley in 1996. Two different approaches for the evaluation of the complex dielectri ...

ELSEVIER SCIENCE BV2019

Modeling Dielectric Constant Variability in Aggregate Polymers from CV Measurements

Marco Mattavelli, Jean-Michel Sallese, Catherine Dehollain, Diego Ruben Barrettino

Recently a new technique based on capacitive sensing has been developed and used to estimate the amount of moisture in polymers by means of the deviation of the dielectric constant. This technique is expected to be used for in-line monitoring of aggregate ...

IEEE2019

Artificial Muscles: Dielectric Elastomers Responsive to Low Voltages

Yauhen Sheima

The lack of soft high-dielectric-permittivity elastomers responsive to a low voltage has been a long-standing obstacle for the industrialization of dielectric elastomer actuators (DEA) technology. Here, elastomers that not only possess a high dielectric pe ...

WILEY-V C H VERLAG GMBH2019

Design of High Permittivity Polysiloxane Elastomers for Dielectric Elastomer Transducers

Philip Horst Caspari

Dielectric elastomer transducers consist of a dielectric elastomer between two compliant electrodes. When the elastic capacitor is electrically charged, the dielectric elastomer elongates until a balance of elastic and electrostatic force is reached. Elect ...

EPFL2019

Incorporating long-range physics in atomic-scale machine learning

Michele Ceriotti, Andrea Grisafi

The most successful and popular machine learning models of atomic-scale properties derive their transferability from a locality ansatz. The properties of a large molecule or a bulk material are written as a sum over contributions that depend on the configu ...

2019

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