High‐throughput screening has become one of the major strategies for the discovery of
novel functional materials. However, its effectiveness is severely limited by the lack of …

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 …

A new high-entropy diboride (Hf 0.25 Zr 0.25 Ta 0.25 Sc 0.25) B 2 was designed to
investigate the effect of introducing rare-earth metal diboride ScB 2 into high-entropy …

As the high-entropy design concept applied to the diboride ceramic system, high-entropy
diboride ceramics with a wide range of composition control, is expected to become a new …

Borophene allotropes have many unique physical properties due to their polymorphism and
similarity between boron and carbon. In this work, based on the density functional theory …

Ultra-high temperature ceramics (UHTCs) are refractory materials with unusual properties
making them strong contenders for applications involving adverse and chemically …

Heat dissipation through nanoscale heterostructures is of technological importance and
fundamental research interest. Diamond is a desirable heat spreader, for integrating with …

Lattice vibrational frequencies are related to many important materials properties such as
thermal and electrical conductivity as well as superconductivity. However, computational …

The electronic contribution significantly dominates thermal transport for most pure metallic
systems, while the phononic (lattice) contribution remains relatively small. We report four …

Porous mullite ceramics with complex geometry were developed by stereolithography (SLA)
combined with an in-situ reaction sintering method. The effects of the sintering temperature …