Repozytorium publikacji - Politechnika Gdańska

The thermophysical properties of metal alloys are often investigated via molecular dynamics (MD) simulations.An exact and reliable estimation of the thermophysical parameters from the MD data requires a properly and carefullyelaborated methodology. In this paper, an improved two-phase sandwich method for the determination of the metal meltingtemperature is proposed, based on the solid-liquid equilibrium theory. The new method was successfully implemented usingthe LAMMPS software and the C++11 Standard Libraries and then applied to aluminum and copper systems. The resultsshow that the proposed procedure allows more precise calculations of the melting temperature than the widely used one-phase boundary methods.

Autorzy

• mgr inż. Kamil Rybacki link otwiera się w nowej karcie ,
• Valeriy Plechystyy link otwiera się w nowej karcie ,
• dr inż. Szymon Winczewski link otwiera się w nowej karcie ,
• prof. dr hab. inż. Jarosław Rybicki link otwiera się w nowej karcie