output
19992026
most citedImplementation strategies in phonopy and phono3py

1.3k citations

83 papers

physics.ins-det2026

Laser-Induced Fluorescence for measuring salt mass fraction in evaporating saline solutions

Antoine Dumain, Florine Giraud, Ophélie Caballina +2

A non-intrusive optical diagnostic based on Laser-Induced Fluorescence (LIF) is developed for measuring salt mass fraction in highly concentrated aqueous solutions relevant to abso…

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…

eess.SY2026

Harmonic Modeling and Control under Variable-Frequency

Maxime Grosso, Pierre Riedinger, Jamal Daafouz +3

This paper develops a harmonic-domain framework for systems with variable fundamental frequency. A variable-frequency sliding Fourier decomposition is introduced in the phase domai…

physics.class-ph2026

Scale effects methodology applied to uprising jets in ASTRID

B Jourdy, D Guenadou, N Seiler +2

CEA is involved in the development of the 4 th generation of nuclear reactors, among which are the Sodium Cooled Fast Reactors (SFR). To support their design and safety, specific c…

physics.bio-ph2025

All in one: holographic microscopy unveils bacterial transport from single cells to population

Lucie Klopffer, S. Becker, Laurence Mathieu +1

Prior to pioneer surface adhesion, bacteria have to navigate in flows, often in confined environments. While much is known about their individual swimming dynamics, our understandi…

math.OC2025

Opportunities for Hybrid Modeling Approaches in Energy Systems optimization

Mohamed Tahar Mabrouk, Shri Balaji Padmanabhan, Bruno Lacarrière +5

This paper surveys the primary computational hurdles of Energy Systems optimization coming from different sources: model-induced complexity, optimization algorithm requirements, an…

eess.SY2025

Real-Time Power electronics Control and Monitoring with TI F28379D DSC and GUI Composer

Ilyas Bennia, Lotfi Baghli, Ehsan Jamshidpour +3

This paper details the implementation and experimental validation of a real-time control system for a three-phase induction motor using the Texas Instruments TMS320F28379D microcon…

cond-mat.mes-hall2025★ 3 cited

Tailored Thermal Transport in Phase Change Materials-Based Nanocomposites through Interfacial Structuring

Viktor Mandrolko, Mykola Isaiev

Interfacial thermal transport is a critical bottleneck in nanoscale systems, where heat dissipation and energy efficiency are strongly modulated by molecular ordering at solid-liqu…

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…

physics.atm-clus2025★ 6 cited

Tailoring Heat Transfer at Silica-Water Interfaces via Hydroxyl and Methyl Surface Groups

Viktor Mandrolko, Konstantinos Termentzidis, David Lacroix +1

Efficient thermal transport across solid-liquid interfaces is essential for optimizing heat dissipation in modern technological applications. This study employs molecular dynamics…

cond-mat.mtrl-sci2025★ 2 cited

Interfacial Behavior from the Atomic Blueprint: Machine Learning-Guided Design of Spatially Functionalized a-SiO2 Surfaces

Evgenii Strugovshchikov, Viktor Mandrolko, Dominika Lesnicki +3

a-Quartz surfaces functionalized with hydroxyl and methyl groups provide a versatile platform for controlling interfacial properties critical to applications such as catalysis, pro…

cs.LG2024★ 1 cited

Transfer Learning for Deep Learning-based Prediction of Lattice Thermal Conductivity

L. Klochko, M. d'Aquin, A. Togo +1

Machine learning promises to accelerate the material discovery by enabling high-throughput prediction of desirable macro-properties from atomic-level descriptors or structures. How…

eess.SP2024

Deployment of ARX Models for Thermal Forecasting in Power Electronics Boards Using WBG Semiconductors

Mohammed Riadh Berramdane, Alexandre Battiston, Michele Bardi +3

Facing the thermal management challenges of Wide Bandgap (WBG) semiconductors, this study highlights the use of ARX parametric models, which provide accurate temperature prediction…

physics.class-ph2024

A convolutional model for estimating the junction temperatures of SiC MOSFET transistors

Ali El Arabi, Denis Maillet, Nicolas Blet +1

The junction temperature is a very important parameter for monitoring power electronics converters based on MOSFET transistors. They offer the possibility of switching at relativel…

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…

cs.LG2023

Deep Learning Approaches for Dynamic Mechanical Analysis of Viscoelastic Fiber Composites

Victor Hoffmann, Ilias Nahmed, Parisa Rastin +2

The increased adoption of reinforced polymer (RP) composite materials, driven by eco-design standards, calls for a fine balance between lightness, stiffness, and effective vibratio…

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…

eess.SY2023★ 3 cited

Harmonic control of three-phase AC/DC converter

Maxime Grosso, Pierre Riedinger, Jamal Daafouz +3

In this paper, we propose a harmonic-model based control approach for the three-phase grid-tied AC-DC converter. We derive a nonlinear harmonic domain model and demonstrate its eff…

cond-mat.mes-hall2023★ 7 cited

Thermal Transport Properties of Nanoporous Silicon with Significant Specific Surface Area

Mykola Isaiev, Yuliia Mankovska, Vasyl Kuryliuk +1

This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the depen…

cond-mat.mtrl-sci2023

Deformation mechanisms in PBT at elevated temperatures

Laurent Farge, François Tournilhac, Javier Perez +5

The plastic deformation of Polybutylene terephthalate (PBT) is investigated at three temperatures (120C, 150C, 180C) representative of the span between glas…

cond-mat.mtrl-sci2023★ 1.3k cited

Implementation strategies in phonopy and phono3py

Atsushi Togo, Laurent Chaput, Terumasa Tadano +1

Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the in…

cond-mat.mes-hall2022★ 12 cited

Thermal transport properties of the nanocomposite system "porous silicon/ionic liquid"

Pavlo Lishchuk, Alina Vashchuk, Sergiy Rogalsky +4

This paper investigates thermal transport in a nanocomposite system "porous silicon matrix filled with ionic liquid". First, the thermal conductivity and heat capacity of two imida…

math.NA2022★ 15 cited

Experimental and Theoretical Investigations of a Ground Source Heat Pump System for Water and Space Heating Applications in Kazakhstan

Yelnar Yerdesh, Tangnur Amanzholov, Abdurashid Aliuly +8

The ground source heat pump heating system is considered as one of the best solutions for the transition towards green heating under the continental climate conditions like Kazakhs…

physics.class-ph2022

Solving viscoelastic problems in a step-inverse Laplace transform approach supplanted with ARX models: a way to upgrade Finite Element or spectral codes

Stéphane André, Camille Noûs

Finite Element codes used for solving the mechanical equilibrium equations in transient problems associated to (time-dependent) viscoelastic media generally relies on time-discreti…