1.3k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Université de LorraineFR54 papers
- Centre National de la Recherche ScientifiqueFR46 papers
- Centre d'Énergétique et de Thermique de LyonFR12 papers
- Lyon 1 UniversitéFR11 papers
- Taras Shevchenko National University of KyivUA11 papers
- Institut National des Sciences Appliquées de LyonFR10 papers
- Institut Lumière MatièreFR5 papers
- Aix-Marseille UniversitéFR4 papers
- Institut Universitaire des Systèmes Thermiques IndustrielsFR4 papers
- National Institute for Materials ScienceJP4 papers
- University of GothenburgSE4 papers
- École Nationale Supérieure de Mécanique et d'AérotechniqueFR3 papers
13 papers · 1 filter
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…
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…
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…
Zero-point Renormalization of the Band Gap of Semiconductors and Insulators Using the PAW Method
Manuel Engel, Henrique Miranda, Laurent Chaput +4
We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, m…
Transferability of neural network potentials for varying stoichiometry: phonons and thermal conductivity of MnGe compounds
Claudia Mangold, Shunda Chen, Giuseppe Barbalinardo +7
Germanium manganese compounds exhibit a variety of stable and metastable phases with different stoichiometry. These materials entail interesting electronic, magnetic and thermal pr…
Thermal transport across nanometre gaps: phonon transmission vs air conduction
A. Alkurdi, C. Adessi, F. Tabatabaei +3
Heat transfer between two surfaces separated by a nanometre gap is important for a number of applications ranging from spaced head disk systems, scanning thermal microscopy and the…
Decorated dislocations against phonon propagation for thermal management
Stefanos Giaremis, Joseph Kioseoglou, Mykola Isaiev +3
The impact of decorated dislocations on the effective thermal conductivity of GaN is investigated by means of equilibrium molecular dynamics simulations via the Green-Kubo approach…
Features of photothermal transformation in porous silicon based multilayered structures
K. Dubyk, L. Chepela, P. Lishchuk +3
This paper is devoted to the study of photothermal transformations in multilayered structures. As a modelled sample, porous silicon with a periodic distribution of the porosity was…
Thermal conductivity of strained silicon: molecular dynamics insight and kinetic theory approach
Vasyl Kuryliuk, Oleksii Nepochatyi, Patrice Chantrenne +2
In this work, we investigated tensile and compression forces effect on the thermal conductivity of silicon. We used equilibrium molecular dynamics approach for the evaluation of th…
Impact of Screw and Edge Dislocation on the Thermal Conductivity of Nanowires and Bulk GaN
Konstantinos Termentzidis, Mykola Isaiev, Anastasiia Salnikova +3
We report on thermal transport properties of wurtzite GaN in the presence of dislocations, by using molecular dynamics simulations. A variety of isolated dislocations in a nanowire…
A Mechanical Study of a Glass Fabric-Thermoplastic Resin Composite: 3D-DIC and X-ray tomographic observations explained by numerical simulations based on a spectral solver
Zakariya Boufaida, Julien Boisse, Stéphane André +1
In the study presented in this paper, we analyzed the mechanical response of a glass fiber plain weave/polymer composite at the fabric millimetric mesoscale. The detail of the stre…
Discovery of low thermal conductivity compounds with first-principles anharmonic lattice dynamics calculations and Bayesian optimization
Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi +3
Compounds of low lattice thermal conductivity (LTC) are essential for seeking thermoelectric materials with high conversion efficiency. Some strategies have been used to decrease L…
Thermal boundary conductance across rough interfaces probed by molecular dynamics
Samy Merabia, Konstantinos Termentzidis
In this article, we report the influence of the interfacial roughness on the thermal boundary conductance between two crystals, using molecular dynamics. We show evidence of a tran…