Now showing items 1-3 of 3
Tetrahedral amorphous boron nitride: A hard material
(WILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA, 2020)
We generate a tetrahedrally coordinated amorphous boron nitride (BN) model by means of first principles molecular dynamics calculations and report its mechanical and electrical properties in detail. The amorphous configuration ...
Hard boron rich boron nitride nanoglasses
(WILEY, 111 RIVER ST, HOBOKEN 07030-5774, NJ USA, 2018)
Boron-rich amorphous boron nitride (BxN1-x, 0.55x0.95) alloys are generated by means of abinitio molecular dynamics simulations and their local structure, mechanical properties and electronic structure are exposed. BN:B ...
Amorphous boron nitride at high pressure
(TAYLOR & FRANCIS LTD2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND, 2016)
The pressure-induced phase transformation in hexagonal boron nitrite and amorphous boron nitrite is studied using ab initio molecular dynamics simulations. The hexagonal-to-wurtzite phase transformation is successfully ...