Elastic ceramic aerogels for thermal superinsulation under extreme conditions

X Xu, S Fu, J Guo, H Li, Y Huang, X Duan - Materials Today, 2021 - Elsevier
Thermal insulation under extreme conditions requires materials that can withstand sharp
thermal shocks as well as extended high-temperature exposure. In this regard, a new …

[HTML][HTML] DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B Hourahine, B Aradi, V Blum, F Bonafe… - The Journal of …, 2020 - pubs.aip.org
DFTB+ is a versatile community developed open source software package offering fast and
efficient methods for carrying out atomistic quantum mechanical simulations. By …

Role of four-phonon processes in thermal conductivity of two-dimensional materials and thermal-transport enhancement arising from interconnected nanofiller …

SS Danayat, Z Mona, N Avinash, RS Annam, J Garg - Nanoscale, 2024 - pubs.rsc.org
Recent research has shed light on the importance of four-phonon scattering processes in
the thermal conductivity (k) of 2D materials. Inclusion of 4 phonon scattering processes from …

Unlocking the Trade‐off Between Intrinsic and Interfacial Thermal Transport of Boron Nitride Nanosheets by Surface Functionalization for Advanced Thermal Interface …

L An, M An, B Yao, J Song, X Zhang… - Advanced Materials, 2025 - Wiley Online Library
The increasing computing power of AI presents a major challenge for high‐power chip
solution and heat dissipation. Boron nitride nanosheet‐based thermal interface materials …

Tuning phononic and electronic contributions of thermoelectric in defected S-shape graphene nanoribbons

MA Bazrafshan, F Khoeini - Scientific Reports, 2022 - nature.com
Thermoelectrics as a way to use waste heat, is essential in electronic industries, but its low
performance at operational temperatures makes it inappropriate in practical applications …

Properties of graphene-related materials controlling the thermal conductivity of their polymer nanocomposites

S Colonna, D Battegazzore, M Eleuteri, R Arrigo… - Nanomaterials, 2020 - mdpi.com
Different types of graphene-related materials (GRM) are industrially available and have
been exploited for thermal conductivity enhancement in polymers. These include materials …

Effect of the degree of polymerization, crystallinity and sulfonation on the thermal behaviour of PEEK: a molecular dynamics-based study

A Mittal, A Parashar - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
The safe and efficient working of fuel cells depends on the thermal management of the heat
generated during the electrochemical process. The aim of the article is to study the thermal …

Temperature-dependent thermal transport of single molecular junctions from semiclassical Langevin molecular dynamics

G Li, BZ Hu, N Yang, JT Lü - Physical Review B, 2021 - APS
Thermal conductance of single molecular junctions at room temperature has been
measured recently using picowatt-resolution scanning probes. However, fully understanding …

Mechanical Properties of Nanoporous Graphenes: Transferability of Graph Machine‐Learned Force Fields Compared to Local and Reactive Potentials

A Kabylda, B Mortazavi, X Zhuang… - Advanced Functional …, 2024 - Wiley Online Library
Nanoporous and chemically‐bridged graphene nanosheets span a wide chemical space
with a broad set of applications in sensing and electronics. Modeling the structure and …

Bispyrene functionalization drives self-assembly of graphite nanoplates into highly efficient heat spreader foils

G Ferraro, MM Bernal, F Carniato… - … applied materials & …, 2021 - ACS Publications
Thermally conductive nanopapers fabricated from graphene and related materials are
currently showing great potential in thermal management applications. However, thermal …