Metric for quantifying elastic and inelastic thermal transport at interfaces
Understanding interfacial thermal transport across interfaces is crucial for unraveling heat
transfer mechanisms in materials and devices. Interestingly, an effective metric to quantify …
transfer mechanisms in materials and devices. Interestingly, an effective metric to quantify …
Optimizing the performance of phase-change azobenzene: from trial and error to machine learning
Molecular solar thermal (MOST) systems employ molecular photoswitches to store or
release solar energy as heat under specific conditions. Among these systems, azobenzene …
release solar energy as heat under specific conditions. Among these systems, azobenzene …
Prediction methods for phonon transport properties of inorganic crystals: from traditional approaches to artificial intelligence
Y Wei, Z Liu, G Qin - Nanoscale Horizons, 2025 - pubs.rsc.org
In inorganic crystals, phonons are the elementary excitations describing the collective
atomic motions. The study of phonons plays an important role in terms of understanding …
atomic motions. The study of phonons plays an important role in terms of understanding …
Near-interface effects on interfacial phonon transport: Competition between phonon-phonon interference and phonon-phonon scattering
Recent studies suggest that the phonon-phonon couplings in the near-interface region may
affect interfacial thermal transport. In this paper, we revisit the interfacial thermal transport …
affect interfacial thermal transport. In this paper, we revisit the interfacial thermal transport …
Active learning molecular dynamics-assisted insights into ultralow thermal conductivity of two-dimensional covalent organic frameworks
Two-dimensional covalent organic frameworks (2D COFs) are novel materials with high
porosities and large surface areas that are highly sought after for separation technologies …
porosities and large surface areas that are highly sought after for separation technologies …
Thermal boundary conductance of metal–diamond interfaces predicted by machine learning interatomic potentials
Thermal boundary conductance (TBC) across metal–diamond interfaces plays a critical role
in the thermal management of future diamond-based ultrawide bandgap semiconductor …
in the thermal management of future diamond-based ultrawide bandgap semiconductor …
Enhancing nanoscale phase-change heat transfer by collaborative roles of surface functionalization and external electric field
Understanding the mechanism behind phase-change heat transfer and designing new
strategies to improve the heat transfer coefficient is crucial for numerous applications, such …
strategies to improve the heat transfer coefficient is crucial for numerous applications, such …
The Enormous and Distinctive Role of Four-Phonon Scattering in the Thermal Transport Characteristic of Pentagonal Structures
P Tian, Y Gao, Z Yang, X Zhang, Y Liu… - The Journal of Physical …, 2024 - ACS Publications
In this paper, the thermal transport characteristics of penta-CN2 and-BCN, which can be
seen as the analogues of penta-graphene, are systematically studied by first-principles …
seen as the analogues of penta-graphene, are systematically studied by first-principles …
Promising Candidate for Ising Ferromagnetism of the Two-Dimensional Kagome V2O3 Honeycomb Monolayer
Due to the low dimensionality in the quantization of the electronic states and degree of
freedom for device modulation, two-dimensional ferromagnetism plays a critical role in lots …
freedom for device modulation, two-dimensional ferromagnetism plays a critical role in lots …
Tunable Thermal Conductivity of Sustainable Geopolymers by the Si/Al Ratio and Moisture Content: Insights from Atomistic Simulations
W Liu, S Ju - The Journal of Physical Chemistry B, 2024 - ACS Publications
In this work, the effects of the Si/Al ratio and moisture content on thermal transport in
sustainable geopolymers have been comprehensively investigated by using the molecular …
sustainable geopolymers have been comprehensively investigated by using the molecular …