Related papers: A calculation method to estimate thermal conductiv…
Lattice thermal conductivities (LTC) for a subset of polymer crystals from the Polymer Genome Library were investigated to explore high LTC polymer systems. We employed a first-principles approach to evaluating phonon lifetimes within the…
We report the study of the cocktail effect on superconductivity in high-entropy alloys (HEAs),using hexagonal close-packed HEAs as a prototype system. Compared with the compositional averages of the constituent elements, the superconducting…
Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…
This study presents the first-principles phonon calculations to understand the experimental thermal expansion ($\alpha(T)$) and lattice thermal conductivity ($\kappa_{L}$) of CoSi at high temperature region. Phonon dispersion is computed…
Controlling anisotropy in self-assembled structures enables engineering of materials with highly directional response. Here, we harness the anisotropic growth of ice walls in a thermal gradient to assemble an anisotropic refractory metal…
Materials with very low thermal conductivity are of high interest for both thermoelectric and optical phase-change applications. Synthetic nanostructuring is most promising to suppress thermal conductivity by scattering phonons, but…
As various property studies continue to emerge on high entropy and entropy-stabilized ceramics, we seek further understanding of property changes across the phase boundary between \enquote{high-entropy} and \enquote{entropy-stabilized}. The…
High entropy alloys (HEAs) are the new class of materials with an attractive combination of tunable mechanical and physicochemical properties. They crystallize mainly in cubic structures, however, for practical applications, HEAs with…
We study the thermal conductivity of amorphous solids by constructing a continuum model whose degrees of freedom are propagating vibrational modes (phonons) and extended Volterra dislocation line defects with their own vibrational degrees…
Lattice thermal conductivity (kL) is a crucial physical property of crystals with applications in thermal management, such as heat dissipation, insulation, and thermoelectric energy conversion. However, accurately and rapidly determining kL…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…
In this work, we have studied the electronic structure of a promising thermoelectric half-Heusler FeVSb using FP-LAPW method and SCAN meta-GGA including spin-orbit coupling. Using the obtained electronic structure and transport calculations…
High-entropy alloys, which exist in the high-dimensional composition space, provide enormous unique opportunities for realizing unprecedented structural and functional properties. A fundamental challenge, however, lies in how to predict the…
The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional materials design and discovery. However, the identification of stable and synthesizable HEMs…
We Investigate the ultrafast carrier, coherent acoustic phonons (CAPs), and acoustic strain pulse dynamics in topological insulator BiSbTe1.5Se1.5 (BSTS) thin films of varying thickness using degenerate pump-probe reflection spectroscopy.…
Varying the thermal boundary conductance at metal-dielectric interfaces is of great importance for highly integrated electronic structures such as electronic, thermoelectric and plasmonic devices where heat dissipation is dominated by…
In nanostructures phonon transport behaviour is distinctly different to transport in bulk materials such that materials with ultra low thermal conductivities and enhanced thermoelectric performance can be realized. Low thermal…
Declining the lattice thermal conductivity in graphene is essential for its thermoelectric applications. In high electron density systems, scatterings of phonons by electrons are no less than the phonon scatterings by other phonons. With…
Syntactic foams are a promising candidate for applications in marine and oil and gas industries in underwater cables and pipelines due to their excellent insulation properties. The effective transmission of electrical energy through cables…
High-entropy alloys (HEAs) comprise a compositionally complex class of materials that in certain cases exhibit outstanding mechanical properties. While substantial progress has been made in understanding their phase stability,…