Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential
Atomistix tool kit force field calculations have been done, using the embedded atom method-Finnis-Sinclair potential as implemented in Virtual Nano Lab-Atomistix Tool Kit (VNL-ATK) to study the temperature dependence of self-diffusion coefficient of liquid aluminum. Also, we calculated the shear vi...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Joint Coordination Centre of the World Bank assisted National Agricultural Research Programme (NARP)
2018-05-01
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| Series: | Journal of Applied Sciences and Environmental Management |
| Subjects: | |
| Online Access: | https://www.ajol.info/index.php/jasem/article/view/170493 |
| _version_ | 1797227976056635392 |
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| author | O.N. Nenuwe O.E. Osafile |
| author_facet | O.N. Nenuwe O.E. Osafile |
| author_sort | O.N. Nenuwe |
| collection | DOAJ |
| description |
Atomistix tool kit force field calculations have been done, using the embedded atom method-Finnis-Sinclair potential as implemented in Virtual Nano Lab-Atomistix Tool Kit (VNL-ATK) to study the temperature dependence of self-diffusion coefficient of liquid aluminum. Also, we calculated the shear viscosity from the Sutherland-Einstein relation, and reports that, the calculated SDC and viscosity are sensitive to temperature. Results obtained at 980, 1020 and 1060K for SDC underestimated available experimental results, while the calculated results for viscosity at 1000 and 1200K overestimated experimental data available in the literature. The underestimation might be due to the shortrange order in liquid Al.
Keywords: self-diffusion, viscosity, aluminum, temperature
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| first_indexed | 2024-04-24T14:49:21Z |
| format | Article |
| id | doaj.art-80fb250d4f9e465fa7ab02ac3c73ebc9 |
| institution | Directory Open Access Journal |
| issn | 2659-1502 2659-1499 |
| language | English |
| last_indexed | 2024-04-24T14:49:21Z |
| publishDate | 2018-05-01 |
| publisher | Joint Coordination Centre of the World Bank assisted National Agricultural Research Programme (NARP) |
| record_format | Article |
| series | Journal of Applied Sciences and Environmental Management |
| spelling | doaj.art-80fb250d4f9e465fa7ab02ac3c73ebc92024-04-02T19:51:51ZengJoint Coordination Centre of the World Bank assisted National Agricultural Research Programme (NARP)Journal of Applied Sciences and Environmental Management2659-15022659-14992018-05-0122410.4314/jasem.v22i4.14Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potentialO.N. NenuweO.E. Osafile Atomistix tool kit force field calculations have been done, using the embedded atom method-Finnis-Sinclair potential as implemented in Virtual Nano Lab-Atomistix Tool Kit (VNL-ATK) to study the temperature dependence of self-diffusion coefficient of liquid aluminum. Also, we calculated the shear viscosity from the Sutherland-Einstein relation, and reports that, the calculated SDC and viscosity are sensitive to temperature. Results obtained at 980, 1020 and 1060K for SDC underestimated available experimental results, while the calculated results for viscosity at 1000 and 1200K overestimated experimental data available in the literature. The underestimation might be due to the shortrange order in liquid Al. Keywords: self-diffusion, viscosity, aluminum, temperature https://www.ajol.info/index.php/jasem/article/view/170493self-diffusionviscosityaluminumtemperature |
| spellingShingle | O.N. Nenuwe O.E. Osafile Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential Journal of Applied Sciences and Environmental Management self-diffusion viscosity aluminum temperature |
| title | Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential |
| title_full | Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential |
| title_fullStr | Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential |
| title_full_unstemmed | Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential |
| title_short | Temperature dependence of Self-diffusion coefficient (SDC) of liquid aluminum using Embedded Atom Method-Finnis-Sinclair (EAMFS) potential |
| title_sort | temperature dependence of self diffusion coefficient sdc of liquid aluminum using embedded atom method finnis sinclair eamfs potential |
| topic | self-diffusion viscosity aluminum temperature |
| url | https://www.ajol.info/index.php/jasem/article/view/170493 |
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