Dear all:
I want to simulate fluid flows confined between two parallel walls. The interaction model between fluid atoms is LJ potential, and also the interaction model between fluid atoms and wall atoms is LJ potential. On the other side, the interaction model between wall atoms is spring model by using “fix spring/self”. Therefore, for each wall atom, the resulting force consists of two kinds of forces: the LJ force due to the fluid atoms and the “spring force”. In this way, wall atoms can only oscillating around their initial postions. My question is: how to control the temperature of wall atoms? I want to keep the wall at one constant temperature.
Any suggestions are very appreciated.
Best,
Jun Zhang
Dear all:
I want to simulate fluid flows confined between two parallel walls. The interaction model between fluid atoms is LJ potential, and also the interaction model between fluid atoms and wall atoms is LJ potential. On the other side, the interaction model between wall atoms is spring model by using “fix spring/self”. Therefore, for each wall atom, the resulting force consists of two kinds of forces: the LJ force due to the fluid atoms and the “spring force”. In this way, wall atoms can only oscillating around their initial postions. My question is: how to control the temperature of wall atoms? I want to keep the wall at one constant temperature.
Any suggestions are very appreciated.
Time integration and thermostat functionality are implemented as fixes and thus can be applied to groups of atoms independently. Pretty straightforward to do.
Axel