Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning
We propose a methodology for crystal structure prediction that is based on the evolutionary
algorithm USPEX and the machine-learning interatomic potentials actively learning on-the …
algorithm USPEX and the machine-learning interatomic potentials actively learning on-the …
Data-driven learning of total and local energies in elemental boron
The allotropes of boron continue to challenge structural elucidation and solid-state theory.
Here we use machine learning combined with random structure searching (RSS) algorithms …
Here we use machine learning combined with random structure searching (RSS) algorithms …
Single-phase borophene on Ir (111): formation, structure, and decoupling from the support
Artificial two-dimensional (2D) materials, which host electronic or spatial structure and
properties not typical for their bulk allotropes, can be grown epitaxially on atomically flat …
properties not typical for their bulk allotropes, can be grown epitaxially on atomically flat …
Nanoparticles containing boron and its compounds—Synthesis and applications: A review
Nanomaterials have already contributed to many innovative products in the consumer
markets. Constant efforts are directed at attaining unique morphologies and reduction in …
markets. Constant efforts are directed at attaining unique morphologies and reduction in …
Discovery of superhard materials via CALYPSO methodology
The study of superhard materials plays a critical role in modern industrial applications due to
their widespread applications as cutting tools, abrasives, exploitation drills, and coatings …
their widespread applications as cutting tools, abrasives, exploitation drills, and coatings …
Ball milling induced borophene flakes fabrication
K Zielinkiewicz, D Baranowska, E Mijowska - RSC advances, 2023 - pubs.rsc.org
To fill the knowledge gap for borophene, as the youngest member of the two-dimensional
(2D) nanomaterials family, a facile, cost effective, scalable and reproducible fabrication route …
(2D) nanomaterials family, a facile, cost effective, scalable and reproducible fabrication route …
All-optical cryogenic thermometry based on nitrogen-vacancy centers in nanodiamonds
The nitrogen-vacancy (NV) center in diamond has been recognized as a high-sensitivity
nanometer-scale metrology platform. Thermometry has been a recent focus, with attention …
nanometer-scale metrology platform. Thermometry has been a recent focus, with attention …
Mitigating amorphization in superhard boron carbide by microalloying-induced stacking fault formation
Q An - Physical Review Materials, 2021 - APS
The abnormal brittle failure of superhard boron carbide (B 4 C) and other icosahedral solids
arises from the shear-induced amorphization. Mitigating the amorphization in these …
arises from the shear-induced amorphization. Mitigating the amorphization in these …
Combining superionic conduction and favorable decomposition products in the crystalline lithium–boron–sulfur system: a new mechanism for stabilizing solid li-ion …
We report a solid-state Li-ion electrolyte predicted to exhibit simultaneously fast ionic
conductivity, wide electrochemical stability, low cost, and low mass density. We report …
conductivity, wide electrochemical stability, low cost, and low mass density. We report …
Phase diagram of boron crystals
K Shirai - Japanese Journal of Applied Physics, 2017 - iopscience.iop.org
The current status of study on the phase diagram of boron is given from the theoretical
viewpoint. Boron is the last elemental crystal whose phase diagram is missing. In the last …
viewpoint. Boron is the last elemental crystal whose phase diagram is missing. In the last …