Molecular dynamics investigation of structures and the potentials of para tellurite (α-TeO2) and europium oxide (Eu2O3) materials by aiming the effect of Eu3+ low doping in α-TeO2 on the mechanical and structural properties
| Autor: | M. M. Achouri, R. Bouamrane, A. Abderrahmane, N. Ziani |
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| Rok vydání: | 2018 |
| Předmět: |
010302 applied physics
Work (thermodynamics) Materials science Doping Oxide General Physics and Astronomy chemistry.chemical_element 02 engineering and technology 021001 nanoscience & nanotechnology 01 natural sciences Oxygen Matrix (chemical analysis) Molecular dynamics chemistry.chemical_compound chemistry 0103 physical sciences Physical chemistry 0210 nano-technology Europium Tellurium |
| Zdroj: | Indian Journal of Physics. 92:1373-1384 |
| ISSN: | 0974-9845 0973-1458 |
| DOI: | 10.1007/s12648-018-1232-2 |
| Popis: | In this work, the interatomic potentials of para tellurite (α-TeO2) and cubic europium oxide (Eu2O3) based on molecular dynamics method were studied. We reported the structural properties of α-TeO2 and Eu2O3 in their crystalline and glass phases and we calculated for the first time their mechanical properties, where our results showed good agreement with the experimental data from previous reports. Finally, we investigated the effect of potential combination of α-TeO2 and Eu2O3, and we used the results to discuss the effect of Europium doping on α-TeO2 matrix. As conclusion, any composition of the three elements (tellurium, oxygen and europium) can be modelled using our interatomic potentials. |
| Databáze: | OpenAIRE |
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