Monday, September 22, 2014

The emergence of patterns in Physics. Part I.

Hola Malena,

What is an electron, a proton, a pion or a quark? Little balls of different size and mass? Strings vibrating in different modes?

Ignoring for the moment String Theory and other theories trying to unify Gravitation with Quantum Field Theory (QFT), I wanted to suggest you a simple exercise in algebra which illustrates what is understood as an elementary particle within the framework of QFT. And, as you surely guessed it, this has to do with our game csɔ (read as /kasak/; classification, symmetry, ɔonservation, or the other way around ;-).

This example illustrates as well how the patterns that help us understand nature emerge in Physics.

Let me explain this last sentence by recalling the world view that once had Heraclitus (or even better here). We know about him from the writings of Plato. According to him, Heraclitus claimed that everything was in permanent change, or, as is probably better known, you cannot step twice into the same stream. Namely, the current of water you see today is not the same as that from yesterday, whence it is not the same river, Heraclitus would probably say.

What has this to do with current Physics? Probably nothing. But it amuses me thinking that Physics, not without some bit of irony, rephrases Heraclitus when assuming that what is real is that which stays invariant when performing a change, a transformation; that what then gets conserved is the only thing meaningful to talk about, the rest being superfluous.

And that's the idea of our game csɔ, you remember? Let's see. Consider the ammonia molecule NH3. It has a tetrahedral configuration with a triangular base.
Balls & stick model of the ammonia molecule NH3. Nitrogen atom in blue; hydrogen atoms in grey. Figure retrieved from Wikipedia.
A more schematic drawing is given by the following figure:

Top view of the positions of atoms in a NH3 molecule.
Imagine the three hydrogen atoms on the base and the bigger, nitrogen one, on the center and above the  plane of the others. Let's assign this position the number 0.

Question 1: What are the transformations that leave this structure invariant?

Try to answer before reading on...

Ok, the answer is the group of 6 transformations called C3v, which can be obtained considering the following symmetries: A) 120 deg. rotations around an axis perpendicular to the plane of the figure and passing through the N atom, and B) 3 reflections through each of the 3 perpendicular planes that contain N and each one of the H atoms.

If we label the rest of the positions by 1, 2 and 3, see the figure, we can use following notation. We'll call S1 to the reflection through the plane containing 0 & 1, that is, the transformation which swaps whatever is in locations 2 & 3; S2 the one containing 0 & 2, and therefore, only swapping whatever is in 1 & 3; and S3 the one swapping 1 & 2 -notice how we keep abusing of our language one step more every sentence!

[ Remark: It becomes somewhat tedious to keep repeating "whatever is in..." and usually it's not said, but still that's what's meant! ]

From the three possible rotations, that with an angle of 360 is the same as not doing anything, that is, it's the identity, and we'll call it E. To the 120, anti-clockwise rotation, we'll call it C1, and the 240, anti-clockwise one, C2. Thus, the group of symmetries consists in C3v={E,C1,C2,S1,S2,S3}

[Remark: Technically speaking, one says that the structure has the symmetry C3v, and each transformation of the group is called a symmetry element.]

[Remark: Here we are using the word "group" in a quite informal way as a "collection of objects". We'll later see that it has a very precise mathematical definition. But we'll ignore that for moment -let's see how far we get :) ]

Question 2: If we denote by C2C1 the composition of transformations (in analogy to the usual composition of functions fg), that is, first apply C1 and, to the result, apply then C2, convince yourself of the following identities:

C2C1=C1C2=ES1S1=S2S2=S3S3=E

Question 3: A possible first notation for these 6 transformations is that of permutations. It works as follows.

For each transformation, list the four atoms sorted on one line. The sorting of each atom is given by its position. On a line beneath that one, list again the atoms after the transformation while respecting the same sorting of positions. In this way, we obtain

E=[NH1H2H3NH1H2H3]C1=[NH1H2H3NH3H1H2]

For instance, for C1 this reads as follows: "the transformation C1 leaves the object located on 0 on the same location; that which was on location 1,H1, it moves it to location 2; the one located on 2,H2, is moved to 3; and the one which was located on 3,H3, gets moved to location 1".

As the first reference line will always be the same, we can omit it and thereby save some work! In this way, we'll write

E=[NH1H2H3]C1=[NH3H1H2]C2=[NH2H3H1] 

Write the permutations corresponding to S1,S2 and S3.

Question 4: We can represent these transformation as matrices as well. Consider the same sorting for columns and rows as that one above for positions. Again this sorting denotes thus the locations 0,1,2 and 3. We may then read each column, say column 'c' as "that which was on position 'c' gets moved to position..." and the answer is the location corresponding to the row where we put a "1" on that same column. We have then, e.g.,


E=(1000010000100001)
and

C1=(1000000101000010).

Write the matrices corresponding to C2,S1,S2 and S3.

Verify the following identities by doing the corresponding matrix multiplications:

C1C2=C2C1=ES1S1=ES1S2=C2

Question 5: The inverse of a transformation has to be one such that when multiplying by the said transformation one obtains the identity. Write as a matrix the inverse of the transformation C1, i.e., (C1)1, and verify that C1(C1)1=(C1)1C1=E.

Do the same for S1. Can you write down the matrices corresponding to inverses of S2 and S3 without calculating them? Actually, it's easy to write down all inverses without calculating the inverse matrix. It suffices to understand the notation and realize what changes each inverse transformation does.

Question 6: The matrices we obtained in Q4 above are the matrices written on the basis of vectors given by B0={e0,e1,e2,e3}, as given on the big slide at the bottom. This basis represents the four positions as vectors in a virtual vectorial space (nothing to do with the 3-dimensional space where we can construct the triangular tetrahedron, nor the one where the ammonia molecule lives in).

Write the corresponding matrices in the basis Bz as given by the slide at the bottom.

The final result is as follows. In the basis Bz, the symmetry C3v has the following matricial representation:

Ez=(1000010000100001)C1z=(10000100001212003212)C2z=(10000100001212003212)

S1z=(1000010000100001)S2z=(10000100001212003212)S3z=(10000100001212003212)


Notice how the 6 matrices get structured in blocks around the diagonals (in linear algebra, this is similar to what's called the Jordan normal form, or Jordan canonical form of a matrix, which is the simplest representation we can get when a matrix cannot be diagonalized). We can distinguish two blocks of 1x1 size and one of size 2x2 on all six matrices!

Yes, for E and S1 that may sound a bit strange, but it isn't. The said 2x2 block is just (1001) for E and (1001) for S1.


Conclusion:
As you can see, none of the transformations "mix" the vectors Z0 and Z1, neither among them, nor with Z2 or Z3. However, vectors Z2 and Z3 do get mixed under the transformations  C1,C2,S2 and S3. Under S1, Z2 stays invariant, but Z3 reverses its orientation. Whence, in some sense, Z3 does mix as well in this case, even if it´s with himself!

Indeed, the fact that there are blocks that do not mix means that these blocks present some "identity", some reality; it means it is something that gets preserved, conserved, under any transformation. It is, thus, something we may call a (symmetry) pattern.

In the following figure you can see my attempt to graphically represent the different patterns one may distinguish. Not all are obtained within a single basis, as happens with the patterns given by the vectors e0,V0 and Z1.

Four basic patterns of the C3v symmetry: I) everything collapsed on a dot, II) a triangular tetrahedral frame as a whole; III) a triangular frame corresponding to the base; IV) two more abstract, intertwinned patterns related to the orientation of location 0 relative to the plane formed by 1, 2 and 3.  
These patterns we are talking about, i.e., the specific set of vectors as e0, V0,    Z1, etc., these are mathematical patterns: We considered a physical system and arbitrarily decided to represent it through vectors and matrices. Maybe we could have chosen a different description. But given our present choice, we then see that a particular combination of vectors somehow conveys our idea of pattern.

The job of the physicist is then to apply this language in the description of physical systems in a way that helps us understand them better. For instance, these ideas may provide an easier argument explaining why the electrostatic field is perpendicular to the surface of a conductor, or why the magnetic field of a current through a wire has only an angular component around that wire.

But the ideas of symmetry are much more powerful. Physics considers the elementary particles, and, for what it matters, any other particle as well, in an analogous way as we did here, namely as symmetry patterns analogous to the examples shown here. More exactly, an elementary particle is but a component of an irreducible representation of a symmetry group. By irreducible representation it is meant the blocks we obtained above; a component is like a vector defining such a block, i.e., like e0 or like Z2.

Furthermore, the concept of symmetry allows the physicist to classify things, like, say, atoms :-) . This is just the familiar Mendeleev's periodic table of elements: the concept of symmetry, as we did here, is used to identify recurrent patterns in the configuration of the electrons of the atoms. Once you can identify different patterns, you can classify things based on who shows which pattern, in much the same way we all have done often as kids. Thus, each column of the periodic table groups together elements with the same irreducible representation of the group of rotations (rotations by an arbitrary angle; see next paragraph). This is the symmetry manifested by the valence electrons (those farthest from an atom's nucleus). A version of the periodic table of elements that best reflects this classification is Janet's left-step periodic table.

The difference in QFT is that the corresponding symmetry groups are very different. In particular, the may represent groups of continuous transformations, i.e., they accept rotations by an arbitrary angle, and not only by 120; or each transformation may depend on the location in space; or they may refer to transformations in a virtual space that has nothing to do with swapping balls around some locations in space.

Thus, as we can see, the concept of symmetry has been very useful for the physicist in describing nature. It has allowed her understand which quantities have to be conserved, defining the essential concept of elementary particle, and also to classify systems. But there is more: physics shows us that the four fundamental forces are uniquely determined by the symmetries that characterize them. That is, once the symmetries are given, so are the forces! The theory of liquid crystal, in condensed matter, is another clear example where the symmetry of the constituent particles uniquely determines the dynamics, i.e., the response of the liquid crystal.

The Emergence of Patterns I

Solutions:

Question 1: Evidently, C3v is a symmetry group of the ammonia molecule NH3. Any of its symmetry elements transforms the molecule into a state that is indistinguishable from the initial state before the transformation. We could end the discussion here, as the solution to the question is already in the above text: It's enough checking that C3v is indeed a symmetry!

However, if we care for the details, we could ask, how we know for sure that these are all the symmetries of NH3. That is, aren't we missing a symmetry transformation of NH3 that is not included in C3v? For the sake of completeness of the discussion in this post, we will now try to respond to this question here.

For example, we could swap the atoms N and H1. Clearly, this is not a symmetry, as we would immediately realize that somebody moved the molecule. However, if we then rotate the molecule within the plane containing atoms N, H1 and H3 we could bring N atom back on the top position.   Isn't this a symmetry transformation? Isn't this, therefore, a transformation different that those contained in C3v? And from a more general point of view, why did we consider rotations only around the N atom? why not also rotations around each and every hydrogen atom? And, what about reflections including N as well? Couldn't there be combinations of such kind of rotations and reflections that lead to additional symmetries of NH3?

That is our mindset now. These are the questions we are trying to clarify. Fine. Let's look into it in detail now.

For the sake of simplifying our discussion, let's first consider only transformations that leave invariant hydrogen atom H2. For those leaving invariant H1 or H3 the argument should be similar.

Fine. If H2 is invariant, we just need to repeat the same arguments in the text above, but considering H2 as if it were the nitrogen atom. That is, we will have 3 reflections and 3 rotations in the plane containing atoms N, H1 and H3. We will call the first three σ0, σ1 and σ3, with the indices referring to the positions left invariant, and we'll call the rotations D3, D32 and D33E, the last one being the identity. We will also call the group of transformations formed by these elements C3vII. Notice how, σ0 is identical to the reflection S2 of our previous group C3v. This will be the key for why we don't need to consider any additional transformations to those already discussed.

Evidently, C3vII is not a group of symmetries of the ammonia molecule NH3. It's easy to see that none of the elements D3, σ1 or σ3 is a symmetry element -and if D3 isn't, so is D32, isn't? But, what about combinations of these transformations? In order to set up a combination resulting in a symmetry, we must manage to get the N atom back on position 0 at the end of such a transformation. We will see now that this is that strong a constraint that it limits the answer to only one possibility -besides the trivial one, E.

Let's use the notation corresponding to permutations -it's more concise and this text is becoming already  very long. Let's consider now the first combination we mentioned above, namely, D32σ3, that is, (fasten your seat belts now!) swapping whatever are in locations 0 and 1, followed by a counter-clockwise rotation of 240 around an axis containing 2 and perpendicular to the plane 0, 1 and 3. (Side note: one day I'll draw a picture and just refer to it.)

Ok. The reflection is easy to write down, namely S3=[1,0,2,3]. The other isn't much more difficult: D32=[1,3,2,0]. We might have applied twice D3=[3,0,2,1] as well, instead of guessing it directly. Fine, we then have

D32σ3=D32[1,0,2,3]=[0,3,2,1]=σ0

It's relatively easy to convince oneself that, no matter with which transformation TC3vII we start with. If we want that the next transformation T leaves the N atom on position 0, the resulting combination will always end up being σ0! In other words, now all the symmetries of NH3 are the transformations contained within the subgroup G{E,σ0}C3vII.  But, as σ0=S2, G is but a subgroup of C3v.

We would have arrived to the same conclusion if we would have fixed atom H1 or H3 instead of H2. We are shown, therefore, that the group C3v contains all possible symmetry elements of the ammonia molecule NH3. QED :-)

Question 2: C1 is a transformation that rotates each and every one of the hydrogen atoms 120 counter-clockwise around an axis containing N. C2 is a rotation in the same sense and around the same axis, but by angle of 240. Thus, if we first rotate all H atoms 120 and right afterwards we add a 240 rotation to it, the net effect will be like rotating all those atoms 360, and therefore, like not doing anything. In mathematical jargon, the combined effect of both transformations is identical to the identity transformation! The same happens if we first apply C2 and then C1. It therefore holds that C2C1=E=C1C2.

It's easier to see it for reflections: Consider a sorted list of characters, a, b, c,... Now swap two, and only two, characters, e.g., the first and the third characters. The list would then turn into c, b, a, ... If we now apply the same transformations again, that is, we swap again the first and third characters, we get a, b, c, ... In other words, it's like we didn't do anything. Thus, applying twice a transposition -which is the technical name for such a swap when we make no reference to space- is the same as the identity. As each of S1, S2 and S3 are transpositions, it readily follows the three identities S1S1=S2S2=S3S3=E.

Question 3: It's easy to convince yourself that the solutions are


S1=[N,H1,H3,H2],
S2=[N,H3,H2,H1],
S3=[N,H2,H1,H3].

Question 4: As we already know, C2 leaves N invariant, but rotates all hydrogens by 240

Thus, it makes H1 hop twice: from its initial position, 1, to 2 and from there to 3. In the same way, it moves H2 to the position were initially we had H1, i.e., 1, etc. Therefore, we can directly write the corresponding matrix 

C2=(1000001000010100)

The reflections are even easier and we can directly write them down

S1=(1000010000010010)
S2=(1000000100100100)
S3=(1000001001000001)



Question 5: Let's determine the inverse matrix of C1 without calculating it. Remember that such an matrix must "undo" what C1 does. For instance, C1 move an atom at 1 to position 2. It's inverse must thus bring to location 1 whatever is at 2. Thus, its column number 2 will have a one at row 1 and the rest will be zeros. Furthermore, as C3 brings what is at 3 to 1, its inverse must bring what is at 1 to 3, and therefore its column 1 will all be zeros except at row 3 where it must have a one. Similarly, we can see the its column 3 will have a single 1 only at row 2.


(C1)1=(1000001000010100)


As we can see, this matrix is just transformations C2! In short, it is C2=(C1)1.

Again, the case of the reflections is easier:

(S1)1=(1000010000010010)=S1
(S2)1=(1000000100100100)=S2
(S3)1=(1000001001000001)=S3


Question 6: The basis Bz is composed of the vectors

Z0=e0, Z1=e1+e2+e3, Z2=2e1(e2+e3) y Z3=e3e2

Let's construct the matrices with the columns and rows sorted in the same way, namely, Z0, Z1, Z2 and Z3. We can follow to ways to obtain these matrices. One path is the "mechanical" one, which is longer  but doesn't require "to think" much. This path consists in writing the matrix change of basis, let's call it M, given by the previous definitions of the Bz basis, and apply M as a similarity transformation to the matrices we obtained earlier. For instance, if call the matrix representation of C1 in the basis B0 as C10, and that one in the basis Bz as C1z, it holds that C1z=M1C10M.

Painful! It's convenient to know this way of calculating it, and sometimes it might be the only approach available; we also need to master matrix algebra, of course. But, if we clearly understand what a matrix is, we have another way of solving this question which is way easier.

[Now comes a side note on elementary linear algebra.
Let's recall what a matrix is. The column j of an arbitrary matrix A is the result of applying A on the basis vector bj, i.e.,  the column j consists on the vector Abj. An arbitrary component i of this vector is thus (Abj)i=Aij (strictly speaking it would be Aijij as it is a 1-covariant, 1-contravariant tensor. Will we ignore, however, such subtleties as we are not considering the effects of having any particular metric around). In other words, the matrix element Ars of a matrix A is the component r of the image of the basis vector bs given by the linear application A.

For the case of a matrix change of basis M the interpretation changes only slightly. This takes a vector of basis Bz, say Z1, and assigns it as image a linear combination of vectors of basis B0, namely e1+e2+e3. Sorting the columns as Z0, Z1, Z2 and Z3, and the rows as e0, e1, e2 and e3, the previous change of basis, M has the matrix representation given by

M=(1000012001110111).

End of review of linear algebra.]

Therefore, in order to construct the corresponding matrices, we just need to build the images of Z0, Z1, Z2 and Z3 as given by each and every one of the 6 symmetry elements of C3v.

Immediately we see that Z0 is invariant under all transformations -as it should, for it corresponds to position 0. But also that Z1 is invariant under C3v as well. This is so because Z1 is a symmetric combination of all three positions 1, 2 and 3, i.e., it considers them all together without making any distinctions among them. Any rotation or reflection will thus change only the order of the summands in Z1. But this doesn't change Z1 at all!

There is still left to see what happens with Z2 and Z3. These are not invariant, but transform among each other! Let's look in detail the case of S2. In this case we obtain following results:

S2Z2=2e3(e2+e1)=12Z2+32Z3

S2Z3=e1e2=12Z2+12Z3

Therefore, the matrix corresponding to S2 in the basis Bz is

S2z=(10000100001212003212)

You can follow the same method to obtain the matrices of the remaining transformations.