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The crystal lattice parameters a, b, and c have the dimension of length. The three numbers represent the size of the unit cell , that is, the distance from a given atom to an identical atom in the same position and orientation in a neighboring cell (except for very simple crystal structures, this will not necessarily be distance to the nearest ...
The geometry of the unit cell is defined as a parallelepiped, providing six lattice parameters taken as the lengths of the cell edges (a, b, c) and the angles between them (α, β, γ). The positions of particles inside the unit cell are described by the fractional coordinates ( x i , y i , z i ) along the cell edges, measured from a reference ...
Lattice models in biophysics represent a class of statistical-mechanical models which consider a biological macromacromolecule (such as DNA, protein, actin, ...
A primitive cell is a unit cell that contains exactly one lattice point. For unit cells generally, lattice points that are shared by n cells are counted as 1 / n of the lattice points contained in each of those cells; so for example a primitive unit cell in three dimensions which has lattice points only at its eight vertices is considered to contain 1 / 8 of each of them. [3]
The diamond crystal structure belongs to the face-centered cubic lattice, with a repeated two-atom pattern. In crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices.
Lattice proteins are highly simplified models of protein-like heteropolymer chains on lattice conformational space which are used to investigate protein folding. [1] Simplification in lattice proteins is twofold: each whole residue ( amino acid ) is modeled as a single "bead" or "point" of a finite set of types (usually only two), and each ...
A force field is the collection of parameters to describe the physical interactions between atoms or physical units (up to ~10 8) using a given energy expression. The term force field characterizes the collection of parameters for a given interatomic potential (energy function) and is often used within the computational chemistry community. [50]
Similar to the ideal hcp structure, the perfect dhcp structure should have a lattice parameter ratio of = In the real dhcp structures of 5 lanthanides (including β-Ce) / variates between 1.596 (Pm) and 1.6128 (Nd). For the four known actinides dhcp lattices the corresponding number vary between 1.620 (Bk) and 1.625 (Cf).