Abstract
NEMD simulations of molten NaCl under shear were performed using the SLLOD algorithm in the canonical ensemble using either a kinetic thermostat based on the equipartition principle or a configurational temperature thermostat. As was shown in previous work, a configurational temperature thermostat is a more realistic approach than a kinetic temperature thermostat. Overall, both series of simulation show that molten NaCl under shear has qualitatively the same behavior as a simple fluid.
Original language | English |
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Pages (from-to) | 2783-2791 |
Number of pages | 9 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 6 |
DOIs | |
Publication status | Published - 8 Feb 2003 |