Crystallography & Symmetry
patterns derived from their groups
Concept

Misorientation — where it appears

The rotation carrying the crystal axes of one grain onto those of its neighbour across a boundary between them. At most orientations the two grains share only one point, and at a discrete set of them they share a whole sublattice.

Named by 4 essays across 2 fields — each of them below, with the objects they name alongside it.

Σ5: two square lattices at 36.87°. Two square lattices, one turned through 36.87° about a shared point. At this angle one point in 5 lands exactly on a point of the other lattice — 29 of the 149 drawn — and those shared points are themselves a lattice, the coincidence site lattice, of index 5. The angle comes from tan(θ/2) = 1/3, and Σ is the odd part of 3² + 1² = 10. Nothing here is measured: whether a point is shared is decided by an integer congruence.

Turn a lattice against itself and almost nothing lines up

Two copies of one lattice rotated about a shared point share that point and, at almost every angle, no other. At a discrete set of angles they share a whole sublattice — one point in three, or five, or seven — and a grain boundary built on such an orientation costs a fraction of what a general one costs, because a fraction of the atoms are already where both sides want them.

applied · Interfaces Every coincidence index is odd. The rotations that bring a cubic lattice into coincidence with itself, up to index 25: 17 distinct relations across 12 indices, each found by enumerating integer quaternions and each index computed as the size of a sublattice rather than from the usual formula — the two are then required to agree. 5 of the 12 indices carry more than one relation, which is why the tables write 13a and 13b. Every index is odd. That is not a feature of this range: a rational orthogonal matrix written in lowest terms has an odd denominator, so the factors of two always cancel.

Every coincidence index is odd, and in the plane most of them do not exist

The indices at which two copies of a cubic lattice share points are 3, 5, 7, 9, 11 and every odd number after them. There is a two-line proof that no even index can occur. Ask the same question about a square lattice and the answer is a different list entirely, governed by which numbers are sums of two squares — so Σ3, which is the commonest boundary in every metal, has no plane analogue at all.

applied · Interfaces 5 units of 70.53°: 7.36° left. 5 tetrahedral units of face-centred cubic metal, each the mirror image of its neighbour in a {111} plane, arranged about a common ⟨110⟩ edge. The angle between two such planes is arccos(1/3) = 70.53°, computed from the plane normals rather than quoted, and 5 of them come to 352.64°. The shaded sector is what is left over: 7.36°, or 2.04 per cent of a full turn, which must be taken up by strain, by a gap, or by a defect along the axis.

Five copies, and the gap they leave

Gold, silver and silicon grow particles with a five-fold axis down the middle, out of a lattice that forbids one. Nothing is violated: five tetrahedral pieces of ordinary face-centred metal, each the mirror image of its neighbour, come to three hundred and fifty-two and a half degrees rather than three hundred and sixty — and the seven degrees left over have to go somewhere.

restriction · Local symmetry No two cubic grains are more than sixty-three degrees apart. For each proper class: how many rotations describe one misorientation, the largest disorientation there is, and the mean over uniformly random orientations. The maximum is found by sampling and then climbing locally, so it is a lower bound that has stopped moving rather than a solved value — and it lands on the numbers the literature records.

The angle two grains differ by

A crystal's axes are not labelled, so a relative orientation between two grains has as many descriptions as the symmetry allows — five hundred and seventy-six of them for a cubic crystal — and their rotation angles run from a few degrees to more than a hundred and seventy. The honest answer is the smallest, and its largest possible value is a number: no two cubic grains are more than sixty-three degrees apart, whatever anybody does to them.

applied · Interfaces

Named alongside it

The objects these essays reach for when they reach for this one.

Coincidence site latticeGrain boundaryIndexQuaternionSublatticeTwin lawClosureCosetCrystallographic restrictionDisclinationIcosahedral symmetryLocal symmetry

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