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Prediction of thermal conductivity in CALF-20 with first-principles accuracy via machine learning interatomic potentials
Understanding the thermal transport properties of CALF-20, a recent addition to the metal-
organic framework family, is crucial for its effective utilization in greenhouse gas capture …
organic framework family, is crucial for its effective utilization in greenhouse gas capture …
Nontrivial impact of interlayer coupling on thermal conductivity: Opposing trends in in-plane and out-of-plane phonons
HF Feng, B Liu, JL Bai, X Zhang, ZX Song, ZX Guo - Physical Review B, 2024 - APS
The study of heat transport in two-dimensional (2D) materials reveals novel behaviors due to
quantum confinement effects, where in-plane and out-of-plane phonons play crucial roles. In …
quantum confinement effects, where in-plane and out-of-plane phonons play crucial roles. In …
Anomalous Transition in Thermal Conductivity in Germanene Monolayer
SSP Chowdhury, S Thapliyal… - arxiv preprint arxiv …, 2024 - arxiv.org
We report an anomalous temperature-induced transition in thermal conductivity in
germanene monolayer around a critical temperature $ T_c= 350\,\text {K} $. Equilibrium …
germanene monolayer around a critical temperature $ T_c= 350\,\text {K} $. Equilibrium …
Unusual Phonon Thermal Transport Mechanisms in Monolayer Beryllene
We compute the thermal conductivity of monolayer beryllene using the linearized phonon
Boltzmann transport equation with interatomic force constants obtained from\textit {ab-initio} …
Boltzmann transport equation with interatomic force constants obtained from\textit {ab-initio} …
Modeling Germanene Monolayer: Interaction Potentials and Insights into the Phonon Thermal Conductivity
S Thapliyal, SS Paul Chowdhury… - National Conference on …, 2022 - Springer
Due to the unique and intriguing buckled topology, modeling and understanding thermal
transport is challenging in germanene 2D materials. We examine the suitability of Tersoff …
transport is challenging in germanene 2D materials. We examine the suitability of Tersoff …
Exploring the Thermal and Mechanical Properties of Semi Metallic XCr₂S₄ (X: Ag, Au) Monolayers
MB Tagani - 2024 - researchsquare.com
The synthesis of non-layered two-dimensional materials is crucial due to the ability to
precisely control their composition and structural features. Recently, a non-layered two …
precisely control their composition and structural features. Recently, a non-layered two …