Constant-pressure molecular-dynamics simulations of phospholipid membranes in the fluid Lα phase reveal strong correlations between equilibrium fluctuations of volume and energy on the nanosecond time-scale. The existence of strong volume-energy correlations was previously deduced indirectly by Heimburg from experiments focusing on the phase transition between the Lα and the Lβ phases. The correlations, which are reported here for three different membranes (DMPC, DMPS-Na, and DMPSH), have volume-energy correlation coefficients ranging from 0.81 to 0.89. The DMPC membrane was studied at two temperatures showing that the correlation coefficient increases as the phase transition is approached.
|Title of host publication||AIP Conference Proceedings|
|Number of pages||3|
|Publisher||American Institute of Physics|
|Publication status||Published - 2008|
|Event||Complex Systems : 5th International Workshop on Complex Systems - |
Duration: 1 Jan 2008 → …
|Conference||Complex Systems : 5th International Workshop on Complex Systems|
|Period||01/01/2008 → …|
Pedersen, U. R., Peters, G. H. J., Schröder, T. B., & Dyre, J. C. (2008). Volume-Energy Correlations in the Slow Degrees of Freedom of Computer-Simulated Phospholipid Membranes. In AIP Conference Proceedings (Vol. 982, pp. 407-409). American Institute of Physics.