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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Aghajamali, Alireza
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (8/8 displayed)
- 2020Band gap engineering in constant total length nonmagnetized plasma-dielectric multilayerscitations
- 2020Epitaxial Formation of SiC on (100) Diamondcitations
- 2019Transferability in interatomic potentials for carboncitations
- 2018Unphysical nucleation of diamond in the extended cutoff Tersoff potentialcitations
- 2017Double-negative multilayer containing an extrinsic random layer thickness magnetized cold plasma photonic quantum-well defectcitations
- 2016Study of optical reflectance properties in 1D annular photonic crystal containing double negative (DNG) metamaterialscitations
- 2016Near-infrared tunable narrow filter properties in a 1D photonic crystal containing semiconductor metamaterial photonic quantum-well defectcitations
- 2014Effects of loss factors on zero permeability and zero permittivity gaps in 1D photonic crystal containing DNG materialscitations
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article
Transferability in interatomic potentials for carbon
Abstract
<p>Interatomic potentials underpin many atomistic simulations and great effort is devoted to develop and benchmark potentials. In 2016 [Carbon 109, 681-693], we tested six common carbon potentials and compared their ability to describe disordered carbon structures. Here, we expand this study with eight additional potentials: AIREBO, REBO2-S, Erhart/Albe, ABOP, GAP, Tersoff-S, Tersoff/Nordlund and Tersoff with modified cutoff. Using molecular dynamics we produce and anneal amorphous carbon structures of different densities. Characterization using coordination analysis, ring statistics, radial distribution functions and diffraction intensity show that no two potentials give the same result. To address this lack of transferability, we have developed a web application tool, www.carbonpotentials.org which collates all carbon potentials and enables real-time and equivalent comparison. Unlike a traditional publication that is frozen in time, the tool is expandable and can accommodate new potentials and data. (C) 2019 Elsevier Ltd. All rights reserved.</p>