Chapter 141 What is this?

"No, Xu You, your main field of study is not physics. When did you start studying algorithms again? Moreover, material simulation is difficult to completely simulate. You can't just write a few programs and get results."

"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. If you look at it, the password is your mother's birthday."

"Okay, I understand."

Xu You doesn't know what level his current computer skills have reached.

But at least Xu You can easily solve the undergraduate coursework in computer science.

Xu You feels that if you have mastered the basics of materials science and information science, and can well connect materials and models.

There is still hope to solve material structure problems through simulation.

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

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

Although the preparation of aluminum atom clusters and iron atom clusters is generally smooth, there are still clusters with a certain number of atoms that have not been successfully prepared.

As for other metal atom clusters, there is no clue at all in preparing them.

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

"If you want to obtain 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.

"Apparently, this is a mathematical problem."

There are many factors that affect the potential energy of atomic clusters, and the specific influence of each factor is 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 of all, the most important factor is the number of atoms.

In general, the greater 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, atomic cluster materials are very difficult to prepare.

The second factor is the structure of the atomic clusters.

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

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

Through various data in Xuzhou's computer, Xu You adjusted and corrected the function parameters.

In his spare time, Xu Zhou saw Xu You's serious look and couldn't help but praise Xu You in his heart.

"As expected of my Xuzhou 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 have achieved something."

At this time, Xu Zhou naturally did not have any expectations for Xu You, and only regarded Xu You as an intern undergraduate student.

After Xu You filled up the draft paper one after another, he finally got a satisfactory functional relationship formula.

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

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

This function formula also explains why atomic clusters with a certain number of atoms are difficult to prepare with the same structure.

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

"Huh? What is this?"

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 Xuzhou has never seen such a formula.

"Professor Xu, this is the formula that affects the potential energy of metal atom clusters. Here, E represents the 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 atoms 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 that affected potential energy.

The formula constructed by Xu You also feels like the standard formula found in textbooks.

Even though Xu Zhou was 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 is correct."

Hearing this, Xu Zhou couldn't believe it.

"Have you really tried it all?"

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

Xuzhou didn't hesitate and quickly put in some of his own data for verification.

And after seeing these results one by one.

Xu Zhou also had to admit that the results obtained through calculation using this formula were 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 treat each other as teachers and students."

"That's right. Then classmate Xu You, please tell me your thoughts."

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

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

Naturally, Xu Zhou could still understand most of it, but wanting to independently create such a function formula was far from being as simple as understanding.

"No wonder some aluminum atom clusters and iron atom clusters cannot be made. According to this function formula, clusters with these few atoms will have abnormal potential energy."

Although overall, the more atoms there are, the greater the potential energy.

But this rule is not absolute.

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

Even if you know when the potential energy is high and when the potential energy is low.

But getting the minimum potential energy cannot be determined through simple calculations.

There are too many influencing factors here.

Xu You also needs to construct a suitable algorithm to calculate the minimum potential energy structure corresponding to each atomic number.
Chapter completed!