Crystallography & Symmetry
patterns derived from their groups
Concept

Grain boundary — where it appears

The interface between two crystals of one substance in different orientations. At small angles it is a row of dislocations with good crystal between them; at large ones it is described instead by which lattice points of the two happen to coincide.

Named by 5 essays across one field — 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 6°: a boundary with a dislocation every 9.5 cells. Two crystals of the same lattice, each turned by half of 6 degrees in opposite senses, meeting on the dashed line. Almost everywhere along it the atoms of one side face the atoms of the other at very nearly the right distance — the boundary is good crystal — and at the marked places the misfit has accumulated to a whole lattice vector and an extra half-plane has to be inserted. Those are the edge dislocations, and they are 9.5 cells apart against the 9.6 that Frank's formula gives.

A small angle is a row of dislocations

Turn one crystal a degree against another and the coincidence arithmetic says they share almost nothing. The boundary between them is nevertheless nearly perfect crystal, and both statements are true: the misfit stays small for a long way and then, all at once, needs an extra half-plane.

applied · Interfaces Σ5: three lattices in one picture. Two copies of the square lattice turned by 36.87 degrees against one another — one drawn pale, one drawn in the second colour — with the points they share ringed. The fine dots are the lattice generated by both together, the DSC lattice, which contains each crystal with index 5 exactly as the coincidences sit inside each crystal with index 5. Three lattices nested at the same index, and the middle one is the crystal.

The dislocations a boundary allows

Two crystals meeting at a coincidence angle share one lattice and generate another. The second is where a boundary's own defects live, its shortest vector is one over the square root of the index, and a dislocation's energy is the square of that.

applied · Interfaces A 21.79° twist, and the cell its beat has. Two copies of the same lattice, one turned. The coarse pattern a reader sees is the beat between them, and the outlined cell is computed from the two lattices rather than measured off the picture: the moiré reciprocal lattice is the original acted on by (I − R), so the moiré cell is the original scaled by one over twice the sine of half the twist, and turned through a right angle plus half the twist.

A beat is not a period

Lay one lattice on another and turn it: the coarse pattern that appears has a spacing anyone can compute, a over twice the sine of half the twist, and it exists at every angle whatever. Whether the superposition actually repeats is a different question with a different answer — countably many angles say yes, and at most of those the true cell is larger than the beat by a definite factor. On a square net it always is.

applied · Interfaces 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 latticeBurgers vectorDislocationMisorientationSublatticeCommensurateCosetDsc latticeFrank formulaHermite normal formIndexLattice

All concepts