Top Student

"No, Xu You, your main focus is not physics. When did you start studying algorithms again? Moreover, material simulation is difficult to simulate completely. It's not like you can just write a few programs and get something out of it."

"Professor Xu, in addition to physics, mathematics, computer and other subjects are also my main subjects. Anyway, let me try it first."

"Okay, the data is in my computer, you can go and see, the password is your mother's birthday."

"Okay, I know."

Xu You didn't know what level his current computer skills had reached.

But at least, for Xu You, the computer major's undergraduate graduation project can be easily solved.

Xu You feels that if you have mastered the foundation of materials science and informatics, and can well link materials and models together.

There is still hope to solve the problem of material structure through simulation.

Xu You successfully unlocked the password of Xu Zhou's computer and found the relevant information files.

Through various information in Xu Zhou's computer, Xu You learned about Xu You's methods and data in the preparation of metal atomic clusters.

Although the preparation of aluminum atomic clusters and iron atomic clusters is generally smooth, there are still atomic clusters with some atomic numbers that have not been successfully prepared.

As for other metal atomic clusters, the preparation is completely clueless.

This shows that only the same structural model is not enough.

"If you want to get the most stable structure of an atomic cluster, you need to ensure that the potential energy of the atomic cluster is the lowest."

Soon, Xu You found the key.

When the potential energy of the atomic cluster is relatively high, the overall structure appears unstable, and the atomic cluster is easily destroyed.

Finding the relationship between potential energy and spatial structure has become the focus of the problem.

"It looks like this is a math problem."

There are many factors that affect the potential energy of atomic clusters, and the specific influence methods of each factor are also different.

It is not an easy task to construct an accurate function that can characterize the relationship between the spatial structure of an atomic cluster and its potential energy.

"Let's list a few influencing factors first." Xu You thought.

First, the most important factor is the number of atoms.

On the overall trend, the more the number of atoms, the greater the potential energy of the atomic cluster.

This is why, when the number of atomic clusters is large enough, the atomic cluster materials are very difficult to prepare.

The second factor is the structure of the atomic cluster.

Xu You describes the structure of the atomic cluster by expressing the three-dimensional coordinates of each atom in the atomic cluster.

In addition to these, Xu You also listed other secondary influencing factors.

Through various data in Xu Zhou's computer, Xu You is adjusting and correcting the function parameters.

When Xu Zhou was free, seeing Xu You's serious appearance, he couldn't help but praise Xu You in his heart.

"As expected of my Xu Zhou's son, he is not only extremely talented, but also has a very serious attitude towards learning. It's a pity that the time is a bit short, otherwise he might really have achieved something."

At this time, Xu Zhou naturally didn't have any expectations of Xu You, and only regarded Xu You as an intern undergraduate.

Xu You finally got a satisfactory functional relationship after writing one draft paper after another.

"In this way, the potential energy of the cluster of atoms can be expressed."

Xu You has verified the previous data many times to ensure that the error between the result obtained by this function formula and the real value is very small.

And through this functional formula, it also explains why it is difficult to prepare atomic clusters with the same number of atoms through the same structure.

After completing the design of the function formula, Xu You found Xu Zhou with the formula.

"Huh? What is this thing?"

Looking at the formula on Xu You's paper, Xu Zhou was a little confused.

In fact, the subject of materials has a lot to do with mathematics, physics, and chemistry.

In daily scientific research, many mathematical formulas are also used.

But Xu Zhou had never seen such a formula.

"Professor Xu, this is the influence formula of the potential energy of metal atomic clusters. Here, E represents the interaction potential energy between atoms, N represents the number of atoms, ε represents the depth of the potential energy well of the dimer, and σ represents the core distance of the dimer, rij is the Euclidean distance between any two atoms i and atom j in the atomic cluster."

Xu You explained to Xu Zhou the meaning of each physical quantity in the formula.

"Although I don't understand how this function is constructed, it does look like that." Xu Zhouxin said.

Xu Zhou knew in his heart that these physical quantities were indeed factors affecting potential energy.

And the formula that Xu You constructed also has the feeling of the standard formula in the textbook.

Even though Xu Zhou was still not sure whether the formula was correct or not, he wanted to verify it very much.

"Then let's pick some data and verify it." Xu Zhou said.

"No need, Professor Xu, I have already verified it. At least the current data are all correct."

Hearing this, Xu Zhou couldn't believe it.

"Really tried everything?"

"If you don't believe me, try again."

Xu Zhou didn't hesitate, and quickly substituted some of his own data into it for verification.

And after seeing the results one by one.

Xu Zhou also had to admit that the result obtained through this formula is indeed correct.

Even if there is a very small error in individual data, it is completely within the allowable range.

"Sure, son! How on earth did you come up with such a formula?"

"Professor Xu, in the laboratory, we try our best to address each other as teachers and students."

"That's true. Then Xu You, tell me your thinking."

Xu Zhou also understood that in such an atmosphere, it would be better to ignore the identities of father and son as much as possible.

Afterwards, Xu You told Xu Zhou some of the ideas he had constructed.

Naturally, Xu Zhou can still understand most of them, but he just wants to independently create such a functional formula, which is far from being as simple as being able to understand.

"No wonder there are a few clusters of aluminum atoms and clusters of iron atoms that cannot be made. According to this functional formula, these atomic clusters with a few atoms will have abnormal potential energy."

Although overall, the more the number of atoms, the greater the potential energy.

But this rule is not absolute.

After solving the problem of the function formula, the next problem is still very difficult.

Even knowing when the potential energy is high and when it is low.

However, it is not possible to determine the minimum potential energy through simple calculations.

Here, there are too many influencing factors.

Xu You still needs to construct a suitable algorithm to calculate the minimum potential energy structure corresponding to each atomic number.