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The theory of molecular dynamics is the task of recording the time evolution of the position of all the particles in a molecule. We shall write the equations of motion for each particle in a natural choice of coordinates, such as the distance between a pair of particles or the angle between a triplet of particles. A possible problem for molecular dynamics is to determine the initial conditions for which the solution of the equations of motion has a special form. We shall see that some such solutions have the form of a statistical mechanics partition function, but since it is required to solve a number of coupled equations it can only be carried out numerically. We shall show how this problem can be reformulated as an associated statistical mechanics problem and at the same time give a mathematical analysis of the solution. This analysis extends the usual argument based on the behaviour of the potential as the temperature approaches the absolute zero to argue that there should be a phase transition at some temperature. However we shall see that in this case the Boltzmann measure is not the appropriate measure and the transition is not a phase transition but a normal statistical mechanical transition between quantum and classical behaviour..docstoc
This chapter reviews the theory of molecular dynamics and its applications to systems with long range interactions. An attractive problem is the determination of the distribution of a macroscopic property under the influence of a long range interaction. It is common in applications of the basic theory to consider a two body interaction of a delta-function type. The exact solution is available but is complicated and so a closure
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Meirovitch Methods Of Analytical Dynamics Pdf Freel
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The contribution of the large-conductance Ca(2+)-activated potassium (BKCa) channels was examined on in vitro swollen lung after functional constriction. The BKCa channels were inhibited by iberiotoxin (IbTX) or charybdotoxin (ChTX) applied in concentrations of 10(-8)-10(-4) M. The effect of 10(-7) M IbTX on the mechanical tension of isolated, slightly swollen (50% TE-148) trachea (without endothelium) was compared with the effect of 10(-6)-10(-5) M Iberiotoxin in lung smears from guinea pigs before and after i.v. lung constriction by means of liquid crystal in the relaxed state. IbTX caused significant decrease of the tracheal tension; 10(-7) M IbTX caused a significant decrease of the tension of the macroscopically intact lung tissue in the relaxed state (by approximately 10% of control) after i.v. constriction of the pulmonary blood vessels. This indicates the participation of BKCa channels in the tonic regulation of the blood flow in lung.Why People Are So Interested In Virtual Reality
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