Mass and thermal transport in liquid Cu-Ag alloys |
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| Authors: | Ujjal Sarder Tanvir Ahmed William Yi Wang Rafal Kozubski Zi-Kui Liu |
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| Institution: | 1. University Centre for Mass and Thermal Transport in Engineering Materials, Priority Research Centre for Geotechnical and Materials Modelling, School of Engineering, The University of Newcastle, Callaghan, NSW, Australia;2. School of Materials Science &3. Engineering, Northwestern Polytechnical University, Xi’an, Shaanxi Province, People's Republic of China;4. M. Smoluchowski Institute of Physics, Jagiellonian University, Krakow, Poland;5. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA, USA |
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| Abstract: | In this paper, the diffusion, thermodynamic and thermotransport properties in Cu–Ag liquid alloys are extensively investigated with molecular dynamics over a wide composition and temperature range. The simulations are performed with the most reliable EAM potential. The Green-Kubo formalism is employed for calculating transport properties. It is found that the reduced heat of transport in Cu–Ag is very small (about 0.10?eV in absolute value) and almost temperature independent. Further it is found that the interdiffusion coefficient together with both self-diffusion coefficients are almost composition independent. In Cu–Ag, the thermodynamic factor is found to be less than unity whereas the Manning factor is greater than unity (with significant composition and temperature dependence) and their product is very close to 1. |
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| Keywords: | Diffusion coefficients mass transport thermotransport heat of transport partial enthalpies molecular dynamics Green-Kubo Cu-Ag liquid alloy |
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