Physics Asked by and85 on April 15, 2021
I need to calculate the pressure autocorrelation function in a Brownian dynamics particle simulation to get the viscosity (which is proportional to the time integral of this function):
$$ left langle sum_{x<y} P_{xy} (t) P_{xy} (0) right rangle $$
The pressure is defined as:
$$ P_{xy} = frac{1}{V} left[ sum_{j} m_j v_{jx} v_{jy} + 0.5 sum_{i neq j} r_{ijx} f_{ijy} right] $$
my problem is that in a Brownian simulation I don’t have the access to the velocity, which appears in the pressure definition, because I neglect the acceleration term in the Langevin equation. Are there any references of how to deal with this problem and calculate pressure tensor without velocity?
The equations I wrote are from Rapaport’s book.
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