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Dmitry Nerukh

Publications and source records attributed to Dmitry Nerukh.

3 recordsLinked to original sources

The principle of stationary action and Lagrangian for dissipative dynamics with velocity-proportional frictional force

It has been known for a long time that the equation of motion for dissipative linear dynamical systems with constant coefficients cannot be derived from the classical principle of stationary action because the term proportional to velocity in the equation of motion leads to the time derivative of order one half in the Lagrangian. Thus, approaches utilising fractional calculus have been used; however, they suffer from deficiencies both from mathematical and physical points of view. We here present our version of such fractional calculus based approach that provides correct Euler-Lagrange and, ultimately, the Hamilton equations, energy change of the moving body, and an attempt for a geometric interpretation of how energy dissipates.

cond-mat.mes-hall

Lagrangian for Navier-Stokes equations of motion: SDPD approach

The conditions necessary and sufficient for the Smoothed Dissipative Particle Dynamics (SDPD) equations of motion to have a Lagrangian that can be used for deriving these equations of motion, the Helmholtz conditions, are obtained and analysed. They show that for a finite number of SDPD particles the conditions are not satisfied; hence, the SDPD equations of motion can not be obtained using the classical Euler-Lagrange equation approach. However, when the macroscopic limit is considered, that is when the number of particles tends to infinity, the conditions are satisfied, thus providing the conceptual possibility of obtaining the Navier-Stokes equations from the principle of least action.

physics.bio-ph

Water drives peptide conformational transitions

Transitions between metastable conformations of a dipeptide are investigated using classical molecular dynamics simulation with explicit water molecules. The distribution of the surrounding water at different moments before the transitions and the dynamical correlations of water with the peptide's configurational motions indicate that water is the main driving force of the conformational changes.

physics.bio-ph