Abstract
Molecular dynamics simulations are carried out to investigate the microscopic, or atomic scale mechanism of melting/solidification in relation to the macroscopic materio-thermo-mechanics. A simple model with 2-D array of atoms is treated, and uniform temperature distribution is considered. After evaluating the melting point and some other material properties for the model, mode of volume dilatation and generation of latent heat due to melting and hysteresis of temperature are simulated. The results represent that the feature of phase transformation depends on heating and cooling rates. Simulation of non-uniform heating process is followed where thermal stress is induced. The variation of temperature is compared with the solution of normal heat conduction equation, which shows good correspondence with MD simulation.
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© 1999 Springer Science+Business Media Dordrecht
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Inoue, T., Uehara, T. (1999). Molecular Dynamics Simulation of Melting/Solidification and Induced Stresses. In: Argoul, P., Frémond, M., Nguyen, Q.S. (eds) IUTAM Symposium on Variations of Domain and Free-Boundary Problems in Solid Mechanics. Solid Mechanics and Its Applications, vol 66. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-4738-5_13
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DOI: https://doi.org/10.1007/978-94-011-4738-5_13
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-5992-3
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