From all-round academic master to chief scientist - Chapter 147 Computational Materials Science

After Lin Xiao and Huang Haoran returned to the laboratory, they observed from the side.

“What they just tested was a new type of TA32 titanium, and then tested its creep resistance.”

Huang Haoran on the side was not idle either and introduced Lin Xiao.

“You know TA32 titanium, right?”

Lin Xiao nodded: “I know.”

“That’s good.” Huang Haoran nodded, then pointed to various things in the laboratory and said: “Here, that is our stretching machine, that is our scanning electron microscope, Quantan 650, and The OLYMPUS metallographic microscope and furnace are placed next door, which is the foundry laboratory.”

“Oh, by the way, have you ever experienced experiments before? It seems that there are no such courses for mathematics students.”

“No.” Lin Xiao looked at these seemingly high-end things and shook his head. He thought about it again and said, “It seems that I went to the laboratory in high school, but I forgot about that.”

“Haha, that’s okay. If nothing happens later, I’ll give you a try.” Huang Haoran said with a smile: “Have you read any books on materials before?”

“I have read this before. I read five related books before coming here.”

Lin Xiao replied.

During one vacation, he read five books on materials science, which also gave him 25 points of experience in materials science.

“That’s fine. The boss said you’re here to help us analyze the data. I’ll find the data from the previous experiments for you later, and then you can try it. But the requirements are not particularly high anyway. We are doing material research. In terms of structure and performance, the mathematics requirements are not very high. The mathematics requirements are high in calculation and simulation. To be honest, I feel that this is simply killing a chicken with a sledgehammer.” Huang Haoran said with a smile: “You are in the field of mathematics. Boss, don’t do these things too easily.”

“You kid, don’t talk nonsense.”

At this time, probably after hearing Huang Haoran’s words, Chen Bao said: “We don’t need simulation calculations now. That’s now. If we need to use it in the future, we will definitely have to use it. Then you can take a good look at what Lin Xiao will do for you. Performance, in the words of you young people, what do you call it? It should just be a show off.”

“What? Boss, will we need to use calculations and simulations later?”

After hearing what Academician Chen said, other graduate students immediately started asking questions.

“It depends on the situation, at least I have to do some finite element analysis.” Chen Bao said with a smile, and then he looked at Lin Xiao and said, “We will just wait for your performance then.”

Lin Xiao quickly waved his hand and said: “This is my first contact, so don’t put all your hopes on me.”

“Haha, don’t I believe you?”

Chen Bao waved his hand and then said to the others: “So I ask you to learn a little bit about computational materials science. This subject has great prospects. If you can make some breakthroughs in this, you can graduate from me.”

“Yes Yes Yes.”

“Definitely next time.”

Each student responded.

“You guys.”

Seeing the completely perfunctory attitude of this group of students, Chen Bao didn’t bother to care.

Although he is more optimistic about computational materials science, computational materials science is now more of an auxiliary means in materials science research, or even a vassal of experiments, so there is nothing to say that these students are not very willing to develop in this area. .

However, Lin Xiao next to him was thoughtful after listening to it. The book he had read before was about computational materials science. This subject requires mathematics, but it also requires the cooperation of a computer.

The general process is to use experimental data, then establish a mathematical model, and then simulate it by computer. After that, through various repeated simulations, the mathematical model is revised, and based on these revised mathematical models, the process is designed to create the material entity.

The other is to directly conduct simulation calculations based on certain specific materials, or reaction mechanisms, etc. After obtaining the model, directly prepare a material that meets the design goals through experiments. This is a kind of predictive research.

But obviously, if computational materials science is really so awesome, it won’t become a vassal, because today’s computational materials science can only make approximate estimates at best, but this approximation is just a little nicer, sometimes because For some unknown reasons, the calculated results are very different from the final results.

This is also because there is currently a lack of a truly predictive computational materials theory, and existing theories can only obtain approximate results.

Lin Xiao also has some interest in this subject, but for now, it is better to focus on the things in front of him.

The experiment continues. Research on metals is destined to take a long time. It is basically impossible to get results early. Therefore, some people who study metal materials sometimes can’t help but complain that others will produce results in six months. A top-level paper in Area 1, and they publish an average paper in Area 2 a year.

Lin Xiao has been watching from the side, and from time to time he can see them burning and heating the piece of titanium alloy, for example, heating it to a temperature of 600°C, and then using the stretching machine to test its creep properties.

There are only a few ideas for improving creep resistance, such as strengthening the heat resistance of the material itself, or adding a layer of high-temperature resistant coating to the outside of the material to achieve a heat insulation effect, etc. Now they are trying to enhance the performance of the material itself. Thereby improving the creep resistance.

After watching from the sidelines for about two hours, Lin Xiao finally had his own task, which was to analyze the data.

“Just analyze the average creep limit of our experimental materials today. There are generally two types of creep limits. Do you know this?”

Huang Haoran was worried that Lin Xiao would not know where to start when doing this kind of analysis for the first time, so he simply asked.

“Well, the creep limit under specified creep elongation, and the creep limit under specified steady-state creep rate.” Lin Xiao’s memory is quite good, “Titanium alloy is more obvious in the second stage of creep. And it’s easy to observe, so we need to use the second creep limit expression method, right?”

“As expected of the Forest God.”

Hearing what Lin Xiao said without any mistakes, Huang Haoran gave a thumbs up and then said: “Then you can analyze it. We will have two sets of experiments later. After the data comes out, I will bring it to you. “

“Oak.” Lin Xiao nodded, then took the data and started calculating.

Although all the proper terms in materials science that came up during their experiments just now are very cool, but when it comes to mathematical calculations, that is his field.

As if he had entered his comfort zone, Lin Xiao quickly calculated the results. After that, there were two sets of experiments, but the experiments were not over yet.

Because what they tested was this new type of TA32 titanium alloy, after being stretched at the same strength for two hours, a set of experiments lasted for two hours.

After that, there will be ten or more than ten hours of testing. If the material does not meet the goals of the project, then it will be reworked and the experiment will be carried out again.

So this is why their metal materials research cycle is very long.

Just like that, it’s time to eat.

“Let’s go, let’s go eat.”

Chen Bao looked at the time. It was after six o’clock, and said hello. At the same time, he smiled and said to Lin Xiao: “Lin Xiao, let’s go, I will show you the canteen here.”

Lin Xiao nodded and then followed.

Arriving on the second floor of the cafeteria, Chen Bao ordered a sumptuous dinner and then invited them to eat together.

Anyway, as an academician, Chen Bao is engaged in research in materials science. The funding he applied for is more than one yuan, and there is no problem at all for food and other things.

“How did you feel about doing the experiment today?”

While eating, Chen Bao didn’t forget to ask Lin Xiao.

Lin Xiao smiled and said: “It’s not bad, it feels quite interesting.”

“How does it compare to mathematical research?”

“Well…each has its own merits.”

Lin Xiao replied.

In fact, mathematics still has a higher status in his heart, perhaps even for mathematicians.

I remember watching an interview with a mathematician before. The reporter asked who was more important in his heart, mathematics or his wife. Then the mathematician said that maybe his answer was disrespectful to his wife, but mathematics was still more important.

Hearing Lin Xiao’s obviously hesitant answer, Chen Bao smiled and guessed the answer in Lin Xiao’s mind, “Sure enough, you math people are all a little different.”

“Those of us who work on materials, there are a lot of people discussing how to change careers. Just you can learn mathematics for a while, and then you will have to deal with mathematics for the rest of your life.”

Lin Xiao thought about it, and it seemed that this was indeed the case. Although there were very few people who could study pure numbers, there were still many opportunities in the field of applied numbers. You couldn’t just finish studying mathematics and then come over and write novels.

However, when talking about this, Lin Xiao suddenly asked: “By the way, Academician Chen, are you very optimistic about computational materials science?”

“Of course I’m optimistic. Materials research is too expensive. Raw materials, equipment, space, etc. cost who knows how much. If this cost can be greatly reduced through simulation calculations, do you think how broad its future market prospects will be?” Maybe by then a predictive theory will have to become a state secret.”

Chen Bao said with a smile: “Some people say that if there is a supercomputer in the future that can calculate the Hamiltonian of every particle in a piece of material, then we can really build whatever we want.”

Lin Xiao also laughed, using a supercomputer to calculate all Hamiltonians?

I really dare to think about it.

This can probably only be realized in science fiction novels.

“Then if I want to learn something in this area, what do you think I need to learn?”

“You want to study this?” Chen Bao was stunned, and then said with a smile: “Of course I support it. Our computational materials science needs the help of big figures in mathematics like you to achieve breakthroughs.”

Lin Xiao couldn’t laugh or cry: “It’s not just a matter of being good at math.”

“Haha, but being good at mathematics is definitely the first requirement.” Chen Bao said, “If you are sure you want to develop in this direction, first you have to learn some computer-related things, such as Linux, Python, etc., and then you have to I can use professional software in computational materials science, such as VASP, Phonopy, and other professional content, such as quantum chemistry, molecular dynamics, statistical mechanics, etc. In this way, I will ask other friends for you later. You just have to watch and learn from time to time.”

“Then I’m sorry to trouble you.”

…