Computational Materials Science - Ordering effects in 2D hexagonal systems of binary and ternary C-B-N alloys

Published: 22 January 2018| Version 1 | DOI: 10.17632/p4ynwbgy9p.1
Contributor:
Agnieszka Jamróz

Description

Processed data used in preparation of paper "Ordering effects in 2D hexagonal systems of binary and ternary C-B-N alloys". It contains: - files with energy during simulation of BC2N systems, - differences in energy for other systems under interest, - initial and final positions after Monte Carlo simulation for exemplary concentrations and temperatures, - Warren-Cowley Short Range Order Parameters for initial and final positions of the systems.

Files

Institutions

Uniwersytet Warszawski

Categories

Graphene, Ordering, Monte Carlo Simulation, Boron Nitride, Nitrogen-Doped Graphene

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