The Infosys Prizes, 2015

I realized that it was the end of November the other day, and it somehow struck me that I should check out if there has been any news on the Infosys prizes for this year. I vaguely recalled that they make the yearly announcements sometime in the last quarter of a year.

Turns out that, although academic bloggers whose blogs I usually check out had not highlighted this news, the prizes had already been announced right in mid-November [^].

It also turns out also that, yes, I “know”—i.e., have in-person chatted (exactly once) with—one of the recipients. I mean Professor Dr. Umesh Waghmare, who received this year’s award for Engineering Sciences [^]. I had run into him in an informal conference once, and have written about it in a recent post, here [^].

Dr. Waghmare is a very good choice, if you ask me. His work is very neat—I mean both the ideas which he picks out to work on, and the execution on them.

I still remember his presentation at that informal conference (where I chatted with him). He had talked about a (seemingly) very simple idea, related to graphene [^]—its buckling.

Here is my highly dumbed down version of that work by Waghmare and co-authors. (It’s dumbed down a lot—Waghmare et al’s work was on buckling, not bending. But it’s OK; this is just a blog, and guess I have a pretty general sort of a “general readership” here.)

Bending, in general, sets up a combination of tensile and compressive stresses, which results in the setting up of a bending moment within a beam or a plate. All engineers (except possibly for the “soft” branches like CS and IT) study bending quite early in their undergraduate program, typically in the second year. So, I need not explain its analysis in detail. In fact, in this post, I will write only a common-sense level description of the issue. For technical details, look up the Wiki articles on bending [^] and buckling [^] or Prof. Bower’s book [^].

Assuming you are not an engineer, you can always take a longish rubber eraser, hold it so that its longest edge is horizontal, and then bend it with a twist of your fingers. If the bent shape is like an inverted ‘U’, then, the inner (bottom) surface has got compressed, and the outer (top) surface has got stretched. Since compression and tension are opposite in nature, and since the eraser is a continuous body of a finite height, it is easy to see that there has to be a continuous surface within the volume of the eraser, some half-way through its height, where there can be no stresses. That’s because, the stresses change sign in going from the compressive stress at the bottom surface to the tensile stresses on the top surface. For simplicity of mathematics, this problem is modeled as a 1D (line) element, and therefore, in elasticity theory, this actual 2D surface is referred to as the neutral axis (i.e. a line).

The deformation of the eraser is elastic, which means that it remains in the bent state only so long as you are applying a bending “force” to it (actually, it’s a moment of a force).

The classical theory of bending allows you to relate the curvature of the beam, and the bending moment applied to it. Thus, knowing bending moment (or the applied forces), you can tell how much the eraser should bend. Or, knowing how much the eraser has curved, you can tell how big a pair of fforces would have to be applied to its ends. The theory works pretty well; it forms of the basis of how most buildings are designed anyway.

So far, so good. What happens if you bend, not an eraser, but a graphene sheet?

The peculiarity of graphene is that it is a single atom-thick sheet of carbon atoms. Your usual eraser contains billions and billions of layers of atoms through its thickness. In contrast, the thickness of a graphene sheet is entirely accounted for by the finite size of the single layer of atoms. And, it is found that unlike thin paper, the graphen sheet, even if it is the the most extreme case of a thin sheet, actually does offer a good resistance to bending. How do you explain that?

The naive expectation is that something related to the interatomic bonding within this single layer must, somehow, produce both the compressive and tensile stresses—and the systematic variation from the locally tensile to the locally compressive state as we go through this thickness.

Now, at the scale of single atoms, quantum mechanical effects obviously are dominant. Thus, you have to consider those electronic orbitals setting up the bond. A shift in the density of the single layer of orbitals should correspond to the stresses and strains in the classical mechanics of beams and plates.

What Waghmare related at that conference was a very interesting bit.

He calculated the stresses as predicted by (in my words) the changed local density of the orbitals, and found that the forces predicted this way are way smaller than the experimentally reported values for graphene sheets. In other words, the actual graphene is much stiffer than what the naive quantum mechanics-based model shows—even if the model considers those electronic orbitals. What is the source of this additional stiffness?

He then showed a more detailed calculation (i.e. a simulation), and found that the additional stiffness comes from a quantum-mechanical interaction between the portions of the atomic orbitals that go off transverse to the plane of the graphene sheet.

Thus, suppose a graphene sheet is initially held horizontally, and then bent to form an inverted U-like curvature. According to Waghmare and co-authros, you now have to consider not just the orbital cloud between the atoms (i.e. the cloud lying in the same plane as the graphene sheet) but also the orbital “petals” that shoot vertically off the plane of the graphene. Such petals are attached to nucleus of each C atom; they are a part of the electronic (or orbital) structure of the carbon atoms in the graphene sheet.

In other words, the simplest engineering sketch for the graphene sheet, as drawn in the front view, wouldn’t look like a thin horizontal line; it would also have these small vertical “pins” at the site of each carbon atom, overall giving it an appearance rather like a fish-bone.

What happens when you bend the graphene sheet is that on the compression side, the orbital clouds for these vertical petals run into each other. Now, you know that an orbital cloud can be loosely taken as the electronic charge density, and that the like charges (e.g. the negatively charged electrons) repel each other. This inter-electronic repulsive force tends to oppose the bending action. Thus, it is the petals’ contribution which accounts for the additional stiffness of the graphene sheet.

I don’t know whether this result was already known to the scientific community back then in 2010 or not, but in any case, it was a very early analysis of bending of graphene. Further, as far as I could tell, the quality of Waghmare’s calculations and simulations was very definitely superlative. … You work in a field (say computational modeling) for some time, and you just develop a “nose” of sorts, that allows you to “smell” a superlative calculation from an average one. Particularly so, if your own skills on the calculations side are rather on the average, as happens to be the case with me. (My strengths are in conceptual and computational sides, but not on the mathematical side.) …

So, all in all, it’s a very well deserved prize. Congratulations, Dr. Waghmare!

 


A Song I Like:

(The so-called “fusion” music) “Jaisalmer”
Artists: Rahul Sharma (Santoor) and Richard Clayderman (Piano)
Album: Confluence

[As usual, may be one more editing pass…]

[E&OE]

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