Mechanisms of temperature-dependent thermal transport in amorphous silica from machine-learning molecular dynamics

T Liang, P Ying, K Xu, Z Ye, C Ling, Z Fan, J Xu - Physical Review B, 2023 - APS
Amorphous silica (a-SiO 2) is a foundational disordered material for which the thermal
transport properties are important for various applications. To accurately model the …

Thermal conductivity modulation mechanism for nanoporous amorphous silica: Insights from propagons, diffusons and locons

G Wei, C Huang, L Wang, L Cui, X Du - … Journal of Heat and Mass Transfer, 2025 - Elsevier
Thermal conductivity modulations of amorphous silica through nanopore engineering are
essential for performance improvement of many devices in practical applications. The …

Thermal transport of glasses via machine learning driven simulations

P Pegolo, F Grasselli - Frontiers in Materials, 2024 - frontiersin.org
Accessing the thermal transport properties of glasses is a major issue for the design of
production strategies of glass industry, as well as for the plethora of applications and …

Hydrodynamic finite-size scaling of the thermal conductivity in glasses

A Fiorentino, P Pegolo, S Baroni - npj Computational Materials, 2023 - nature.com
In the past few years, the theory of thermal transport in amorphous solids has been
substantially extended beyond the Allen-Feldman model. The resulting formulation, based …

Phonon coherent transport leads to an anomalous boundary effect on the thermal conductivity of a rough graphene nanoribbon

S Tian, T Wang, H Chen, D Ma, L Zhang - Physical Review Applied, 2024 - APS
Coherent phonons can give rise to phenomena and physical mechanisms in different
systems. Understanding phonon-boundary scattering is critical for the manipulation of …

Lattice distortion leads to glassy thermal transport in crystalline CsBiICl

Z Zeng, Z Fan, C Chen, T Liang, Y Chen… - arXiv preprint arXiv …, 2024 - arxiv.org
The glassy thermal conductivities observed in crystalline inorganic perovskites such as Cs $
_3 $ Bi $ _2 $ I $ _6 $ Cl $ _3 $ is perplexing and lacking theoretical explanations. Here, we …

Effects of colored disorder on the heat conductivity of SiGe alloys from first principles

A Fiorentino, P Pegolo, S Baroni, D Donadio - arXiv preprint arXiv …, 2024 - arxiv.org
Semiconducting alloys, in particular SiGe, have been employed for several decades as high-
temperature thermoelectric materials. Devising strategies to reduce their thermal …

Bond-Network Entropy Governs Heat Transport in Coordination-Disordered Solids

K Iwanowski, G Csányi, M Simoncelli - arXiv preprint arXiv:2412.12753, 2024 - arxiv.org
Understanding how the vibrational and thermal properties of solids are influenced by
atomistic structural disorder is of fundamental scientific interest, and paramount to designing …

Advances in lattice thermal transport in crystals and glasses

A Fiorentino - 2024 - iris.sissa.it
Thermal conductivity is a fundamental property for describing the non-equilibrium
phenomenon of thermal transport. In solid insulators, whether disordered or crystalline, heat …

Thermoelectric effects in polar liquids and ionic conductors

E Drigo - 2024 - tesidottorato.depositolegale.it
Transport theory describes non-equilibrium conditions. The Onsager equations set a linear
relationship between thermodynamic forces and macroscopic currents. When a temperature …