Advances in thermal conductivity for energy applications: a review
Thermal conductivity is a crucial material property for a diverse range of energy
technologies, ranging from thermal management of high power electronics to thermal …
technologies, ranging from thermal management of high power electronics to thermal …
Engineering the thermal conductivity of polymer-bonded explosives by interfacial thermal resistance reduction and structural designs: a review
Z Liu, J Wang, G He, Z Yang - Advanced Composites and Hybrid Materials, 2025 - Springer
Polymer-bonded explosives (PBXs) are a kind of specialized functional composite,
exhibiting stringent comprehensive performance requirements due to their significant …
exhibiting stringent comprehensive performance requirements due to their significant …
Perspective on ab initio phonon thermal transport
ABSTRACT Coupling of the Peierls-Boltzmann equation with density functional theory
paved the way for predictive thermal materials discovery and a variety of new physical …
paved the way for predictive thermal materials discovery and a variety of new physical …
Understanding the thermal conductivity and Lorenz number in tungsten from first principles
Tungsten is known to have a Lorenz number L larger than the Sommerfeld value (L 0= π 2 k
B 2/3 e 2= 2.445× 10− 8 V 2/deg 2) by 30%. By performing fully first-principles calculations …
B 2/3 e 2= 2.445× 10− 8 V 2/deg 2) by 30%. By performing fully first-principles calculations …
Atomistic insights into the origin of high‐performance thermoelectric response in hybrid perovskites
Due to their tantalizing prospect of heat‐electricity interconversion, hybrid organic–inorganic
perovskites have sparked considerable research interests recently. Nevertheless …
perovskites have sparked considerable research interests recently. Nevertheless …
Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation
Ab initio Green-Kubo (aiGK) simulations of heat transport in solids allow for assessing lattice
thermal conductivity in anharmonic or complex materials from first principles. In this work, we …
thermal conductivity in anharmonic or complex materials from first principles. In this work, we …
First-principles modeling of thermal transport in materials: achievements, opportunities, and challenges
Thermal transport properties have attracted extensive research attentions over the past
decades. First-principles-based approaches have proved to be very useful for predicting the …
decades. First-principles-based approaches have proved to be very useful for predicting the …
Superhigh flexibility and out-of-plane piezoelectricity together with strong anharmonic phonon scattering induced extremely low lattice thermal conductivity in …
Abstract Although CdX (X= S, Se) has been mostly studied in the field of photocatalysis,
photovoltaics, their intrinsic properties, such as, mechanical, piezoelectric, electron and …
photovoltaics, their intrinsic properties, such as, mechanical, piezoelectric, electron and …
Gauge fixing for heat-transport simulations
Thermal and other transport coefficients were recently shown to be largely independent of
the microscopic representation of the energy (current) densities or, more generally, of the …
the microscopic representation of the energy (current) densities or, more generally, of the …
A Review of the Mg2(Si,Sn) Alloy System as Emerging Thermoelectric Material: Experimental and Modeling Aspects
This paper reviews the basic understanding of Mg-based thermoelectric materials and
various approaches for increasing their thermoelectric efficiency. Recent developments in …
various approaches for increasing their thermoelectric efficiency. Recent developments in …