Crystallography & Symmetry
patterns derived from their groups
Theme

The theme: Symmetry is decidable — page 12

Unusually for a physical science, the central questions here have exact answers computable in integer arithmetic. There is no tolerance to choose and no residual to interpret.
Seventy-three arithmetic classes, from fourteen groups. Every subgroup of every lattice's own group, split by whether the subgroup's own Bravais group is that lattice's. The ones that are not belong to a lower lattice and are counted there, which is what stops the same class being counted twice. The running total ends at seventy-three, and no conjugacy in GL(3, ℤ) was ever decided. What symmetry decides

Seventy-three, without a search

The unit a space group is built from is a point group together with the lattice it acts on, and there are seventy-three of them. Getting there looks like it needs conjugacy in GL(3,ℤ), which is a search this collection tried and abandoned. It does not: every finite group of integer matrices carries a canonical larger group that says which lattice it belongs to, and once that is computed the search has nothing left to do.

 Both sides of the transformation, on five lattices. A Gaussian of width set by t on every point of a lattice, summed; and the same sum over the dual lattice with the width inverted and the covolume divided out. The two agree to the last bit a double carries, at every t and on lattices with no symmetry in them, so nothing here is a coincidence of parameters. The identity is exact and the reason to have it is that the two sides do not cost the same. Lattices

The sum that turns a lattice into its dual

Put a Gaussian on every point of a lattice and add them up. The answer equals the same sum over the dual lattice with the width inverted and the covolume divided out — exactly, to the last bit a double carries, on lattices with no symmetry in them. The identity is free and the reason to have it is that the two sides do not cost the same: at one end of the range the direct sum needs forty thousand terms and the dual sum needs a hundred and twenty-five.

 The same terms, added in two shapes. Partial sums of the alternating 1/r sum over the simple cubic lattice, taken over expanding cubes and over expanding spheres. The terms are identical and only the order differs. The cubes creep towards 1.747565 — 1.7258 by the last point drawn — and the spheres do not settle at all, landing at -3.527 after passing through values on both sides of it. A conditionally convergent sum has no value until the order is named. Lattices

The sum whose answer depends on the shape

Give the points of a cubic lattice alternating signs and add up one over the distance. Added over expanding cubes the total creeps towards 1.747565; added over expanding spheres it does not converge at all, landing on both sides of that number and never settling. The terms are identical and only the order differs. Splitting the sum in two with the theta transformation gives it a value — ten decimal places from a few thousand terms.

 Three variants, and not one undistorted plane. The three tetragonal variants a cubic parent produces, with the principal stretches of each. Every one of them has the same three numbers in a different order, and the middle one is not one — so none of the three leaves any plane undistorted, and none of them can meet the parent phase across an interface. That is the difficulty the whole of the crystallographic theory of martensite exists to resolve, and it is visible in one column. Symmetry at work

The plane a deformation leaves alone

Two differently deformed regions can meet across a plane only if that plane is deformed identically from both sides — which forces the two deformations to differ by a rank-one term. Multiplying each side by its own transpose removes the rotation and leaves a condition on a signature: one positive eigenvalue, one negative, one exactly zero. In that form the classical rule that the middle principal stretch must be one is not quoted but derived, and it says that no single variant of a cubic-to-tetragonal transition can meet its parent at all.

 Where the laminate's middle eigenvalue crosses zero. The middle eigenvalue of FᵀF − I for the average deformation of a twinned laminate, against the volume fraction of one variant. At both ends the laminate is a single variant and the value is well away from zero; in between it crosses, twice, and each crossing is a volume fraction at which the laminate can meet the parent phase across a plane. The two roots are complementary, which is the same plate with the two variants exchanged. Symmetry at work

The plate that only fits when it is twinned

No single variant of a cubic-to-tetragonal transition can meet its parent across a plane. A fine mixture of two variants can, because its average deformation carries a free parameter — the volume fraction — and that parameter passes through the compatibility condition twice. Sweeping it gives the two fractions, the two habit planes, and one inequality: the plate exists exactly when the two principal stretches satisfy η₁² + η₃² ≤ 2.

 Why a tetrahedron is not a cube cut up. The two invariants side by side. A cube's twelve right angles are each a rational part of a turn and contribute nothing; a regular tetrahedron's six edges each contribute one α, giving six. Cutting a polyhedron and rearranging the pieces cannot change the invariant, so no dissection takes one to the other however the volumes are matched. That is Hilbert's third problem, and the whole of it is one angle. The classification

The angle that is not a fraction of a turn

Any two polygons of equal area can be cut into pieces that rearrange into each other. In space that fails, and the obstruction is a sum over edges of length against dihedral angle — zero for anything that fills space, and not zero for a regular tetrahedron. The whole argument reduces to one claim about one angle, and that claim is an integer computation: a sequence that is never divisible by three, when it would have to be.

 Three places to put the boundary. A large site and a small one, with three candidate boundaries between them. Halfway is the ordinary Voronoi cell and it cuts through the large sphere. Splitting in the ratio of the radii is the natural repair and its surfaces are not planes, so the cells do not fit together. The power plane sits where the tangent lengths agree, which is further from the large site than halfway and is still a plane — and being a plane is the whole reason the construction works. Lattices

Where the boundary goes when the atoms differ

Assigning each point of space to the nearest atom is the right rule only when every atom is the same size. Splitting the distance in the ratio of the radii is the obvious repair and it produces curved faces that do not fit together. The repair that works measures to a sphere rather than to a point: the boundary stays a plane, the cells still tile exactly, and a small enough atom loses its cell altogether — at a radius ratio of exactly one in eight.

 One curve falls and the other does not. The boundary's share of a ball, against the radius, for a plane group and for the free group on two generators. The plane group's falls like one over the radius and goes to zero; the free group's rises to two thirds and stays. A group with no sequence of regions whose boundary becomes negligible has no shape-independent average, and that is not a difficulty in the analysis — it is a property of the group. Operations

The boundary a growing region forgets

Quoting a density assumes the region it was averaged over does not matter, and that assumption is a property of the group of translations rather than of the crystal. A ball in a plane group grows like R² and its boundary like R, so the edge becomes negligible — and where that fails, the average genuinely moves. The free group on two generators keeps two thirds of itself on the boundary forever, and a slab seven layers deep is wrong by exactly one seventh however wide it is made.

 Cubic means the Sylow 3-subgroup is not normal. The thirty-two sorted two ways at once: by crystal system and by whether the Sylow 3-subgroup is normal. Two of the four boxes are empty, so the two properties coincide exactly. That gives 'cubic' a definition with no geometry in it — a class is cubic when its threefold subgroups are conjugate to each other rather than unique — and it explains why a cubic class has no principal axis: a group cannot single out one member of a conjugate family. What symmetry decides

How many axes there are is a Sylow count

Sylow's theorems say that the subgroups of prime-power order in a finite group are all conjugate and that how many there are is congruent to one modulo the prime. Applied to the thirty-two crystal classes that arithmetic counts axes: the number of Sylow 3-subgroups is the number of equivalent threefold directions, it is four in exactly five classes, and those five are the cubic ones. So cubic has a definition with no geometry in it.

 The table of marks of 4mm. Every conjugacy class of subgroup of 4mm, against every other. The entry is the number of cosets of the column's subgroup that the row's subgroup holds still. The first row is the identity, which fixes everything, so it is the size of each coset space; the last column is the whole group, whose only coset is fixed by everybody. What symmetry decides

The table that decides every action

Burnside's lemma counts orbits and stops there — two completely different actions with the same orbit count are indistinguishable to it. The object that settles the whole question is a square table whose entries count fixed cosets: lower triangular because a subgroup fixes no coset of anything smaller, positive on the diagonal because it fixes its own, and therefore invertible. Inverting it turns a list of fixed-point counts back into the orbits themselves.

 Three lattices no congruence can separate. The three reduced forms of discriminant minus twenty-three, with the integers each represents. The principal form represents one and the others do not; the others represent two and it does not. So they are genuinely different lattices — and they represent exactly the same residues modulo twenty-three, so they are in one genus and no congruence condition of any kind distinguishes them. Lattices

Lattices that agree at every prime

Counting the plane lattices with a given metric determinant is a class number. Above it sits a coarser count — the genus, which is what congruences can see — and for most small determinants the two agree. At discriminant minus twenty-three they part: three lattices representing exactly the same residues modulo everything, and different integers. No argument modulo any number can tell them apart, and they are not the same lattice.

 Five solids, twice each. Each Platonic solid as a framework of rods hinged at the corners, and again with its faces made rigid by adding their diagonals. The rank of the rigidity matrix reaches 3V − 6 exactly when the framework cannot move; the shortfall counts the ways it can. Three of the five are rigid as rods and all five are rigid as plates, which is Cauchy's theorem in the form a rank computation can see. Symmetry at work

The polyhedra that can flex

A cube of rods folds and a cube of cardboard does not, and the difference is a rank. Cauchy proved in 1813 that a convex polyhedron with rigid faces is rigid; the rank of a rigidity matrix sees it directly, and it also sees where the hypothesis is doing the work. Drop convexity and an octahedron flexes — followed here for forty steps with every edge length held to five parts in a thousand million million.

 The three minima of seven lattices. Every lattice scaled to covolume one, with the smallest radius at which a ball holds one, two and three independent lattice vectors. The last column is the shortest vector as a fraction of the longest any lattice of this volume can have — Hermite's constant — and only the face-centred cubic lattice reaches it. The fifth column is the product of the three, which is capped whatever the lattice. Lattices

A lattice cannot have all its vectors long

The three successive minima are the radii at which a ball first holds one, two and three independent lattice vectors. Nothing bounds any of them above on its own — a cell can be flattened without limit — but Minkowski's second theorem caps their product, so pushing one up forces another down. That is why every crystal has a shortest direction worth naming, and why a very anisotropic cell has a very short one.

 Nine graphs against two conditions. Every candidate graph with the two quantities Steinitz's theorem asks for: the largest number of vertices that can be removed while it stays connected, capped at three because three is all the theorem needs, and the number of edges against the most a planar graph on that many vertices can have. The connectivity is decided by removing every pair and testing what is left, which is the definition rather than a proxy for it. Five of the nine pass both and are the graphs of convex polyhedra; the other four fail exactly one condition each, which is why they are here. Symmetry at work

A polyhedron is two properties of a graph

Steinitz's theorem says a graph is the corner-and-edge graph of a convex polyhedron exactly when it can be drawn in the plane without crossings and stays connected after any two vertices are removed. No lengths, no angles, no convexity — the conditions are about the graph alone, and each one is needed, which four small counterexamples show.

 How far apart points on a sphere can be kept. For each number of points, the largest smallest angle a search could find between any two of them. Two unit spheres touching a third do not overlap exactly when their contact points are 60° or more apart, so the largest count whose best arrangement still clears 60° is the kissing number. Twelve clears it with three degrees to spare and thirteen falls short by more than three. The circle column is the same problem in the plane, where the answer is exactly 360/n and needs no search at all. Symmetry at work

The room a thirteenth sphere would need

Twelve equal spheres touch one, and whether a thirteenth could was argued in 1694 and settled in 1953. The reason it took so long is measurable: the twelve leave three and a half degrees of slack, which is enough room to look promising and not enough to use — and in the plane, where the same question has no slack at all, nobody ever argued.

 Seven fields and the number that counts each one. The degree of each field, computed by triangulating the sphere drawn round the defect, mapping every vertex, and adding the signed areas of the image triangles. The total is 4π times the degree, and the integral column is that total divided by 4π before rounding. Each is read on three successively finer meshes and required to give the same integer on all three, because a mesh too coarse for its field does not produce a noisy answer — it produces a confident wrong one. Symmetry at work

The point defect whose charge has no sign

A line defect is read on a loop; a point defect is read on a sphere, and the number that comes off the sphere is a degree. In a nematic that degree is an integer whose sign depends on a choice nobody can make — and the media where no such number exists at all are exactly the ones whose residual symmetry is a crystal class.

 One determinant, three dimensions. The Cayley–Menger determinant of a set of squared distances, at three sizes. Its value is the squared content of the simplex those distances describe, times a factor that alternates in sign with the dimension. At three points it is Heron's formula rewritten; at four it gives a tetrahedron's volume from its six edge lengths with no coordinates anywhere. The alternating sign is not a convention — a value of the wrong sign means the distances belong to no set of points at all. Symmetry at work

What six lengths decide and nine do not

A tetrahedron's volume is a determinant in its six edge lengths, with no coordinates anywhere. Add a fifth vertex and the lengths stop deciding: two shapes with identical edges and identical faces have volumes in the ratio 2.6. What survives is that the possibilities are finite — which is the whole reason a flexing polyhedron cannot change its volume.

 Nine frameworks, counted and then decided. Maxwell's count subtracts bars from twice the joints; the pebble game inserts the bars one at a time and discards any that cannot be paid for. The two agree on most of these frameworks and not on all, and where they differ the count is the one that is wrong — it assumes every bar is an independent constraint, and a bar added to a part that is already rigid is not. The redundant column is how many bars the game refused. Symmetry at work

A game that decides what counting only bounds

Maxwell's count subtracts bars from twice the joints and is a bound, not an answer, because it assumes every bar constrains something new. In the plane there is an exact repair: Laman's condition, run as a game in which each joint holds two pebbles and a bar is admitted only if four can be gathered at its ends. Two rigid bodies sharing a joint are what the count gets backwards.

 Ten chains, two phases. The Zak phase of the lower band of a two-site chain, as the ratio of the two hoppings is swept. Every value is exactly zero or exactly π and nothing lies between them, because the chain has an inversion centre and inversion maps the zone loop to itself reversed — which forces the phase to equal its own negative modulo a full turn. The switch happens where the two hoppings are equal, which is the one place the band gap closes and the phase belongs to no band. Into space

The phase a symmetry turns into a number

Carry a band's state once across the Brillouin zone and it returns with a phase. In a chain with an inversion centre that phase is exactly zero or exactly π and never anything else — and the two values turn out to be the two positions in the cell that an inversion centre fixes. Remove the centre and the phase moves continuously, which is what a quantisation claim has to be able to lose.

 Five strains, and which of them move the atoms. A honeycomb of harmonic bonds, strained five ways, with the internal coordinate minimised at fixed cell each time. The shuffle is how far the second atom moves away from where the strain alone would have put it. Which strains produce one is decided before any energy is computed: a strain that leaves the site's three-fold axis intact forces the shuffle to vanish, because the only vector a three-fold rotation of the plane fixes is the zero vector. The prediction and the measurement are in adjacent columns. What symmetry decides

The strain the atoms do not follow

The rule that makes an elastic constant computable — deform the cell and move every atom by the same map — is exact for a lattice with one atom in it and wrong for every other, and the reason is a site symmetry rather than a mechanical one. Which strains move the atoms inside the cell is decided by what survives of the site's own group, and a wrong answer here is a constant that is too stiff by a third.

 One crossing or the other, and never both. Two events on a square patch of lattice: a path of occupied sites crossing from left to right, and a path of vacant sites crossing from top to bottom. On the triangular lattice exactly one of them happens in every configuration tested — the claim is combinatorial rather than statistical, so one counterexample would end it. On the square lattice both can fail at once, and do, in more than a quarter of the configurations. That difference is the whole of what follows. How it is known

The threshold a symmetry pins down

Occupy sites at random and somewhere the occupied ones first join up across the crystal. For almost every lattice that occupancy is known only to a few digits. For the triangular lattice it is exactly a half, and the reason is that on a lattice whose faces are all triangles an occupied path and a vacant path cannot slip past each other — a statement about one configuration at a time, with no probability in it.

 Every closed surface, and the two that charge nothing. The same accounting indexed by Euler characteristic rather than by genus. An orientable surface has χ = 2 − 2g, so it only ever occupies an even row; a non-orientable one has χ = 2 − k and occupies every row from one downwards. The odd rows therefore belong to surfaces that cannot be oriented and to nothing else — and the first of them, the projective plane, charges six. Six pentagons is a bill no orientable surface presents. What a lattice forbids

The surfaces a count by genus skips

A count indexed by genus steps in twelves and lands only on even numbers. A closed surface can have any characteristic at or below two, and the odd ones belong to the surfaces that cannot be oriented — where the projective plane charges six pentagons, a bill no orientable surface ever presents.

 19 site symmetries, and the counts each can impose. Every distinct site symmetry across the space groups this site builds, named by the multiset of its operation types, with the orientation counts a disordered molecule there may take. The counts are the indices of the site group's subgroups, computed by closing subsets under multiplication rather than looked up. Nearly every row offers every divisor of its order. One does not: a site of order twelve whose group is the tetrahedral rotation group refuses an orientation count of two, because that group has no subgroup of order six. What a lattice forbids

How many orientations a disorder needs

A molecule at a site with more symmetry than it has resolves the contradiction by occupying several orientations at once. How many is not fitted: it is the index of the molecule's symmetry in the site's, so the occupancy is the reciprocal of a whole number — and one site in the census refuses a divisor of its own order.

 Four groups whose description count a metric can raise. Every plane group, the number of ways of writing one arrangement down on the lattice the group requires, and the number on the most symmetric lattice it may sit on. Eight groups already occupy the most symmetric lattice available to them and have nowhere to go. Four have a metric that raises the count, by two and in one case by six. The starred rows belong to groups whose normaliser has a free direction, where the quantity is a count of grid points rather than an index and cannot be compared. Operations

The normaliser is not a function of the group

How many ways there are of writing one structure down is computed from the group and printed in a table beside its name. It is not a property of the group. Draw a p2 pattern on a hexagonal cell rather than an oblique one and the number goes from four to twenty-four, with nothing done to the group at all.

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