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OrderedPacking

oxiphysics_geometry::sphere_packing::types

Struct OrderedPacking 

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pub struct OrderedPacking {
    pub lattice: LatticeType,
    pub radius: f64,
    pub lattice_parameter: f64,
    pub n_cells: [usize; 3],
    pub spheres: Vec<PackingSphere>,
}
Expand description

Ordered sphere packing on crystal lattices.

Fields§

§lattice: LatticeType

Lattice type.

§radius: f64

Sphere radius.

§lattice_parameter: f64

Lattice parameter (edge length of unit cell).

§n_cells: [usize; 3]

Number of unit cells in each direction.

§spheres: Vec<PackingSphere>

Generated sphere positions.

Implementations§

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impl OrderedPacking

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pub fn new(lattice: LatticeType, radius: f64, n_cells: [usize; 3]) -> Self

Create a new ordered packing.

The lattice parameter is set so spheres are touching:

  • FCC: a = 2*r*sqrt(2)
  • BCC: a = 4*r/sqrt(3)
  • SC: a = 2*r
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pub fn generate(&mut self)

Generate all sphere positions for the lattice.

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pub fn theoretical_packing_fraction(&self) -> f64

Theoretical packing efficiency for the lattice type.

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pub fn coordination_number(&self) -> usize

Coordination number (number of nearest neighbors) for the lattice.

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pub fn actual_packing_fraction(&self) -> f64

Compute the packing fraction from generated spheres.

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pub fn nearest_neighbor_distance(&self) -> f64

Return the nearest-neighbor distance for the lattice.

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pub fn find_neighbors(&self, idx: usize, cutoff: f64) -> Vec<usize>

Find neighbors within a given cutoff distance for a sphere index.

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impl<SS, SP> SupersetOf<SS> for SP
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