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19992026
most citedImplementation strategies in phonopy and phono3py

1.3k citations

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11 papers · 1 filter

cond-mat.soft2026

Fluctuation-Dissipation Framework for Size-Dependent Surface Tension

Sergii Burian, Yevhenii Shportun, Liudmyla Klochko +3

The size-dependent liquid-vapor surface tension controls phase change, wetting, and transport at nanoscales, yet its first curvature correction, the Tolman length, remains difficul…

cond-mat.soft2025

Structural Order Drives Diffusion in a Granular Packing

David Luce, Adrien Gans, Sébastien Kiesgen de Richter +1

We investigate how structural ordering, i.e. crystallization, affects the flow of bidisperse granular materials in a quasi-two-dimensional silo. By systematically varying the mass…

cond-mat.soft2024

NMR contributions to the study of water transfer in proton exchange membranes for fuel cells

Jean-Christophe Perrin, Assma El Kaddouri, Laouès Guendouz +5

As programs to support efficient and sustainable energy sources are expanding, research into the potential applications of the hydrogen vector is accelerating. Proton exchange memb…

cond-mat.soft2023★ 5 cited

Features of the Contact Angle Hysteresis at the Nanoscale: A Molecular Dynamics Insight

Viktor Mandrolko, Guillaume Castanet, Sergii Burian +4

Understanding the physics of a three-phase contact line between gas, liquid, and solid is important for numerous applications. At the macroscale, the three-phase contact line respo…

cond-mat.soft2020

Certifying the intrinsic character of a constitutive law for semi-crystalline polymers: a probation test

Stéphane André, Simon Becker, Camille Noûs +2

A study of methodological nature demonstrates the efficiency of a probation test allowing for the intrinsic character of a rheological constitutive law to be assessed. Such a law i…

cond-mat.soft2018★ 11 cited

Use of Digital Image Correlation to study the effect of temperature on the development of plastic instabilities in a semi-crystalline polymer

Laurent Farge, Stéphane André, Julien Boisse

The plastic deformation processes that occur in a tensily deformed High Density Polyethylene specimen were studied from full-field strain and strain rate measurements obtained by 3…

cond-mat.soft2017★ 24 cited

Gibbs adsorption impact on a nanodroplet shape: modification of Young-Laplace equation

Mykola Isaiev, Sergii Burian, Leonid Bulavin +6

An efficient technique for the evaluation of the Gibbs adsorption of a liquid on a solid substrate is presented. The behavior of a water nanodroplet on a silicon surface is simulat…

cond-mat.soft2017★ 29 cited

Size dependence of the surface tension of a free surface of an isotropic fluid

Sergii Burian, Mykola Isaiev, Konstantinos Termentzidis +2

We report on the size dependence of the surface tension of a free surface of an isotropic fluid. The size dependence of the surface tension is evaluated based on the Gibbs-Tolman-K…

cond-mat.soft2016★ 18 cited

Principles of thermal design with nematic liquid crystals

S. Fumeron, E. Pereira, F. Moraes

Highly engineered materials are arousing great interest because of their ability to manipulate heat, as described by coordinate transformation approach. Based on the recently devel…

cond-mat.soft2016★ 16 cited

Retrieving the saddle-splay elastic constant of nematic liquid crystals from an algebraic approach

Sébastien Fumeron, Fernando Moraes, Erms Pereira

The physics of light interference experiments is well established for nematic liquid crystals. Using well-known techniques, it is possible to obtain important quantities, such as t…

cond-mat.soft2013★ 22 cited

Metric approach for sound propagation in nematic liquid crystals

E. Pereira, S. Fumeron, F. Moraes

In the eikonal approach, we describe sound propagation near to topological defects of nematic liquid crystal as geodesics of a non-euclidian manifold endowed with an effective metr…