Deformation behavior and amorphization in icosahedral boron-rich ceramics

A Awasthi, G Subhash - Progress in Materials Science, 2020 - Elsevier
Among hard materials, icosahedra-based boron-rich ceramics are only second to diamond-
based structures. This class of ceramics possesses lower density, higher thermal and …

[PDF][PDF] Ultrastrong boron frameworks in ZrB12: A highway for electron conducting

T Ma, H Li, X Zheng, S Wang, X Wang, H Zhao… - Adv. Mater, 2017 - english.iop.cas.cn
DOI: 10.1002/adma. 201604003 high electrical conductivity has been an urgent task, calling
for more experimental effort along this direction. During last decade, the borides of transition …

High-pressure design of advanced BN-based materials

OO Kurakevych, VL Solozhenko - Molecules, 2016 - mdpi.com
The aim of the present review is to highlight the state of the art in high-pressure design of
new advanced materials based on boron nitride. Recent experimental achievements on the …

[HTML][HTML] High-pressure synthesis of superhard and ultrahard materials

Y Le Godec, A Courac, VL Solozhenko - Journal of Applied Physics, 2019 - pubs.aip.org
A brief overview of the high-pressure synthesis of superhard and ultrahard materials is
presented in this tutorial paper. Modern high-pressure chemistry represents a vast exciting …

Hardening and toughening mechanisms in nanotwinned ceramics

X Li, S Yin, SH Oh, H Gao - Scripta Materialia, 2017 - Elsevier
Recent experiments have reported that nanotwinned ceramics with covalent or ionic bonds
exhibit unprecedented hardness, enhanced fracture toughness and improved thermal …

Novel two-dimensional ferroelectric PbTe under tension: A first-principles prediction

X Zhang, Z Yang, Y Chen - Journal of Applied Physics, 2017 - pubs.aip.org
Enhanced ferroelectricity in two-dimensional (2D) SnTe exhibiting a higher transition
temperature (T c) than its bulk counterpart was recently discovered [Chang et al., Science …

Nanotwinned Boron Suboxide (B6O): New Ground State of B6O

Q An, KM Reddy, H Dong, MW Chen, AR Oganov… - Nano …, 2016 - ACS Publications
Nanotwinned structures in superhard ceramics rhombohedral boron suboxide (R-B6O) have
been examined using a combination of transmission electron microscopy (TEM) and …

Novel boron-rich phosphides with high hardness, large strain, and magnetism

L Wang, X Wei, X Hao, X Song, G Yang… - The Journal of …, 2023 - ACS Publications
Boron-rich compounds have attracted much attention due to their interesting structures and
excellent properties. Here, we performed an extensive study on the different B–P …

Boron oxides under pressure: Prediction of the hardest oxides

H Dong, AR Oganov, VV Brazhkin, Q Wang, J Zhang… - Physical Review B, 2018 - APS
We search for stable compounds of boron and oxygen at pressures from 0 to 500 GPa using
the ab initio evolutionary algorithm uspex. Only two stable stoichiometries of boron oxides …

Toward first-principles design of organic nonlinear optical materials: Crystal structure prediction and halogen bonding impact on hyperpolarizabilities of 2-iodo-3 …

ID Yushina, AE Masunov, D Lopez… - Crystal Growth & …, 2018 - ACS Publications
Computational methods can potentially accelerate development of more efficient organic
materials for second harmonic generation. Here, we test the method that includes the …