by Nikolai V. Shokhirev
Up: Physics
- Mechanics
- Hard-sphere dynamics
- MD Simulation
- Kinetics
-
All the presentation below are equivalent. The choice depends on the convenience and the simplicity of the equations of motion.
The definition of the Lagrangian is
![]() |
(1) |
Here K is the kinetic energy and U is the potential energy. In the Cartesian coordinates
![]() |
(2) |
The dot denotes the time derivative.
Using the following transformation
| (3) |
the Lagrangian can be expressed in terms of the generalized coordinates q and their derivatives:
![]() |
(4) |
The generalized momentum pi corresponding to a generalized coordinate qi is
![]() |
(5) |
The generalized forces
![]() |
(6) |
The equations of motion in Lagrangian mechanics are Lagrange's equations:
| (7a) |
or
![]() |
(7b) |
The Hamiltonian is defined as
| (8) |
The Hamiltonian is the otal energy of the system as a function of the
generalized coordinates and momentums (5). The Hamilton equations of
motion are written as follows:
![]() |
(9) |
If the potential U does not directly depend on time
| (10) |
This conservation law is the advantage of the Hamiltonian presentation.
In the Cartesian coordinates both (7) and (9) reduce to the well-known equation of motion
![]() |
(11) |
Let us consider the example.
This is a spring-mass system in a uniform gravitational field along the z-axis

1. Cartesian coordinates
![]() |
(12) |
The kinetic and potential energies are
![]() |
(13) |
here g is the acceleration constant, k is the spring constant. The momentums (5) are simple
![]() |
(14) |
However, the forces are complex and inconvenient for calculations
![]() |
(15) |
2. Polar coordinates
![]() |
(16) |
The coordinates and velocities are defined as
![]() |
(17a) |
![]() |
(17b) |
Now the kinetic and potential energies are
![]() |
(18) |
The forces are much simpler now
![]() |
(19) |
The momentums are now more complex
![]() |
(20) |
3. Discussion
Despite of the complexity of Eq. (20) it is more suitable for the analysis of limiting cases. In particular, for a stiff spring,
![]() |
(21) |
Only the equation for the angle is necessary, which can be obtained from the second components of (19, 20)
| (22) |
The analysis of small angles is also simpler in this coordinates.
Up: Physics
- Mechanics
- Hard-sphere dynamics
- MD Simulation
- Kinetics
-
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Please e-mail me at nikolai@shokhirev.com |
ŠNikolai V. Shokhirev, 2001-2009