Original language | English |
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Pages (from-to) | 1-9 |
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Number of pages | 9 |
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Journal | MRS Advances |
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Early online date | 23 May 2016 |
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DOIs | |
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Publication status | E-pub ahead of print - 23 May 2016 |
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Long wavelength acoustic phonons are normally weakly coupled to other vibrational
modes in a crystalline system. This is particularly problematic in molecular dynamics
calculations where vibrations at the system-size scale are typically excited at initiation. The
equilibration time for these vibrations depends on the strength of coupling to other modes, so is
typically very long. A very simple deterministic method is presented which removes this
problem. Examples of equilibration in lithium and a martensitic phase transition in sodium are
used to demonstrate the method.
ID: 25440002