mpcd.force

Overview

block

Block force.

constant

Constant force.

sine

Sine force.

Details

MPCD external force fields.

An external field specifies the force to be applied per MPCD particle in the equations of motion (see mpcd.stream). The external force should be compatible with the chosen streaming geometry. Global momentum conservation is typically broken by adding an external force field; care should be chosen that the force field does not cause the system to net accelerate (i.e., it must maintain average momentum conservation). Additionally, a thermostat will likely be required to maintain temperature control in the driven system (see mpcd.collide).

Note

The external force must be attached to a streaming method (see mpcd.stream) using set_force to take effect. On its own, the force object will not affect the system.

class hoomd.mpcd.force.block(F, H=None, w=None)

Block force.

Parameters
  • F (float) – Magnitude of the force in x per particle.

  • H (float or None) – Half-width between centers of block regions.

  • w (float or None) – Half-width of blocks.

Imposes a constant force in x as a function of position in z:

\begin{equation} \mathbf{F} = \begin{cases} +F \mathbf{e}_x & |r_z - H| < w \\ -F \mathbf{e}_x & |r_z + H| < w \\ \mathbf{0} & \mathrm{otherwise} \end{cases} \end{equation}

The force is applied in blocks defined by H and w so that the force in x is \(+F\) in the upper block, \(-F\) in the lower block, and zero otherwise. The blocks must lie fully within the simulation box or an error will be raised. The blocks also should not overlap (the force will be zero in any overlapping regions), and a warning will be issued if the blocks overlap.

This force field can be used to implement the double-parabola method for measuring viscosity by setting \(H = L_z/4\) and \(w = L_z/4\), where \(L_z\) is the size of the simulation box in z. If H or w is None, it will default to this value based on the current simulation box.

Examples:

# fully specified blocks
force.block(F=1.0, H=5.0, w=5.0)

# default blocks to full box
force.block(F=0.5)

Note

The external force must be attached to a streaming method (see mpcd.stream) using set_force to take effect. On its own, the force object will not affect the system.

New in version 2.6.

class hoomd.mpcd.force.constant(F)

Constant force.

Parameters

F (tuple) – 3d vector specifying the force per particle.

The same constant-force is applied to all particles, independently of time and their positions. This force is useful for simulating pressure-driven flow in conjunction with a confined geometry (e.g., slit) having no-slip boundary conditions.

Examples:

# tuple
force.constant((1.,0.,0.))

# list
force.constant([1.,2.,3.])

# NumPy array
g = np.array([0.,0.,-1.])
force.constant(g)

Note

The external force must be attached to a streaming method (see mpcd.stream) using set_force to take effect. On its own, the force object will not affect the system.

New in version 2.6.

class hoomd.mpcd.force.sine(F, k)

Sine force.

Parameters
  • F (float) – Magnitude of the force in x per particle.

  • k (float) – Wavenumber for the force.

Applies a force in x that is sinusoidally varying in z.

\[\mathbf{F}(\mathbf{r}) = F \sin (k r_z) \mathbf{e}_x\]

Typically, the wavenumber should be something that is commensurate with the simulation box. For example, \(k = 2\pi/L_z\) will generate one period of the sine in bulk geometry.

Examples:

# one period
k0 = 2.*np.pi/box.Lz
force.sine(F=1.0, k=k0)

# two periods
force.sine(F=0.5, k=2*k0)

The user will need to determine what value of k makes sense for their problem, as it is too difficult to validate all values of k for all streaming geometries.

Note

The external force must be attached to a streaming method (see mpcd.stream) using set_force to take effect. On its own, the force object will not affect the system.

New in version 2.6.