barostat


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barostat

(ˈbærəʊˌstæt)
n
(General Physics) a device for maintaining constant pressure, such as one used in an aircraft cabin
Translations
References in periodicals archive ?
MD simulations were performed for 5 ns in the constant temperature, constant pressure (NPT) ensemble at standard ambient conditions (T = 300 K; P = 1 atm) controlled by Nose-Hoover thermostat and Hoover barostat with a relaxation time of 0.02 ps.
All simulations were performed in an NPT (number of molecules, pressure, and temperature constant) ensemble using Nose-Hoover thermostat and barostat to apply desired temperature and pressure.
The last term is associated with the pressure pof the barostat (ambient pressure).
The period of the thermal and barostat reservoirs [43] was set to 1 and 5 ps, to allow for relatively weak coupling.
Pressure was controlled by the Parrinello-Rahman barostat [33] while temperature was controlled by the Nose-Hoover thermostat [34-36].
The damping coefficient for the temperature thermostat and pressure barostat was 1ps.
A Parrinello-Rahman barostat pressure of 1 bar was used with a coupling constant of Tau_P = 0.5 ps and compressibility of 4.5e-5 ([bar.sup.-1]).
Components of the pressure tensor in the x and y directions were independently kept constant by a Berendsen-type barostat [21] with a time constant of 3ps (based on the bulk modulus of gold 180 GPa).
The temperature was controlled at 298 K or 453 K using the Andersen thermostat (49) and pressure was maintained around 1 atm using the Berendsen barostat (50).