From Almighty Scholar to Chief Scientist

Chapter 147 Computational Materials Science

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

"Just now they tested a new type of TA32 titanium, and then tested its creep resistance."

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

"TA32 Titanium, do you know?"

Lin Xiao nodded: "I know."

"That's good." Huang Haoran nodded, then pointed to various things in the laboratory, and said, "Here, that's our stretching machine, that's our scanning electron microscope, Quantan650, and The metallographic microscope of OLYMPUS, and those for the furnace are next door, which is the foundry laboratory."

"Oh, by the way, have you experienced experiments before? Mathematics students don't seem to have this kind of class."

"No." Lin Xiao looked at these seemingly high-end things, shook his head, thought for a while, and said, "It seems that I went to the laboratory in high school, but I forgot about that."

"Hehe, that's okay. If you're okay later, I'll give you a taste." Huang Haoran said with a smile, "Have you read any books on materials before?"

"I've read this one. I read five related books before I came here."

Lin Xiao replied.

During a holiday, he read five books on materials science, which also brought him 25 points of experience in materials science.

"That's fine. The boss said that you came here to help us analyze the data. I will find the data of the previous experiments for you later, and then you can try it. But anyway, the requirements are not particularly high. We do material research. In terms of structure and performance, the mathematics requirements are not very high, and the calculation and simulation aspects are more demanding in mathematics. To be honest, I think this is simply killing chickens with a sledgehammer." Huang Haoran said with a smile: "You are a mathematics world. Big brother, don’t do these things too easily.”

"Don't talk nonsense, kid."

At this time, probably hearing what Huang Haoran said, Chen Bao said: "We don't need to use analog calculations now, that is now, if we need to use them in the future, we must still use them, and then you will have a good look at what Lin Xiao will give you. Performance, what do you call it in the words of young people? It should be a show operation."

"What? Boss, we still need to use calculations and simulations later?"

Hearing Academician Chen's words, other graduate students immediately asked questions.

"Depending on the situation, at least we have to do some finite element analysis." Chen Bao said with a smile, and then he looked at Lin Xiao and said, "We will wait for you to perform at that time."

Lin Xiao quickly waved his hands and said, "It's also my first contact, so don't put all your hopes on me."

"Hehe, I don't believe you."

Chen Bao waved his hand, and then said to the others: "So I ask you to study computational materials science a little bit. This subject has a bright future. If you can make some breakthroughs in it, you can also graduate from me."

"Yes Yes Yes."

"Next time definitely."

Each student responded.

"You guys."

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

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

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

The general process is to use experimental data, then establish a mathematical model, and then simulate it by a computer. After that, through various repeated simulations, the mathematical model is corrected, and the process is designed to manufacture material entities according to these corrected mathematical models.

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

But obviously, if computational materials science is really so good, it will not become a vassal, because today's computational materials science can only make approximate estimates at most, but this approximation is just a little nice, sometimes because For some unknown reasons, the calculation results and the final results are quite different.

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

As for this subject, Lin Xiao also has some interests, but for now, he should focus on the matter in front of him.

The experiment continues. Metal research is destined to take a long time. It is basically impossible to get results early, so some people who study metal materials sometimes can't help complaining. Others come out once every six months. One paper for the top one district, and one paper for the ordinary two districts a year.

And Lin Xiao has been watching from the sidelines. From time to time, they can be seen burning and heating the titanium alloy, such as heating it to a temperature of 600°C, and then testing its creep performance with that stretching machine.

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

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 limit. Do you know this?"

Huang Haoran worried that Lin Xiao didn't know where to start doing this kind of analysis for the first time, so he simply asked.

"Well, the creep limit under the specified creep elongation, and the creep limit under the specified steady-state creep rate." Lin Xiao's memory is quite good, "Titanium alloys are more obvious in the second stage of creep. And it's easy to observe, so the second way to express the creep limit, right."

"As expected of Lin Shen."

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

"Ouke." Lin Xiao nodded, then took over the data and began to calculate.

Although the terminology in materials science that popped up when listening to their experiments just now is very awesome, but if it enters into mathematical calculations, it is his field.

As if entering the comfort zone, Lin Xiao quickly calculated the result, and there were two more experiments after that, but the experiments were not over yet.

Because they are testing this new type of TA32 titanium alloy, after two hours of stretching under the same strength, one set of experiments is two hours.

After that, there will be ten or more hours of testing. If the material does not meet the objectives of the project, then it will be done again and the experiment will be repeated.

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

That's it, it's time to eat.

"Let's go, let's go eat."

Chen Bao looked at the time. It was past six o'clock, and he greeted Lin Xiao. At the same time, he also smiled and said to Lin Xiao: "Lin Xiao, let's go, I will show you our canteen here."

Lin Xiao nodded, and then followed.

When they came to the second floor of the canteen, Chen Bao ordered a sumptuous dinner, and then invited them to eat together.

Anyway, as an academician, Chen Bao is also a researcher in materials science, and the funding he applied for is too much, and there is no problem at all for eating and so on.

"How do you feel 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's quite interesting."

"Compared to mathematical research?"

"Well... each has its own merits."

Lin Xiao replied.

In fact, the status of mathematics in his heart is still higher, perhaps for mathematicians.

I remember an interview with a mathematician I saw before. The reporter asked which was more important in my heart, mathematics or my wife, and the mathematician said that maybe his answer was a bit 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 people who do mathematics are a little different."

"For those of us who work on materials, a lot of people are discussing how to change careers. You can just learn mathematics for a while, and then you will have to deal with mathematics for the rest of your life."

Lin Xiao thought for a while, and it seemed to be the case. Although there are very few people who can study pure numbers, there are still many ways out in dealing with numbers. You can't come to write novels after learning mathematics.

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

"Of course I'm optimistic. Material research is too expensive. Raw materials, equipment, sites, etc. will cost a lot. If the cost can be greatly reduced through simulation calculations, do you think about its future market prospects? Said There may be a time when even a predictive theory has 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 each particle in a piece of material, then we can really make whatever we want."

Lin Xiao also laughed, using a supercomputer to calculate all Hamiltonian quantities?
Really dare to think.

Probably only in science fiction can it be realized.

"Then if I want to learn something about this, what do you think I need to learn?"

"You want to study this?" Chen Bao was taken aback for a moment, then smiled and said, "Of course I support it. We need the help of a big figure like you in the mathematics world to make a breakthrough in computational materials science."

Lin Xiao couldn't laugh or cry: "This kind of thing doesn't just need to be good at mathematics."

"Hehe, but good mathematics must be the first requirement." Chen Bao said, "If you are sure to develop this way, first you have to learn some computer-related things, linux, Python, these, and then you have to learn Can use professional software in computational materials science, 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, to Then you just watch and learn."

"Then trouble you."

……

(End of this chapter)