Scholar’s Advanced Technological System
Chapter 1340: Implicit density functional method
Young's modulus ≥ 2.1tpa, damage strength ≥ 80n / m......
From the point of view of the series of parameters given, Lu Zhou first thought of a cable with very strong tensile strength, and then thought of the impact coating used in automotive or aerospace equipment. .
As for where this stuff can be used...
That is more useful.
It is said that it can be used as a cable. It can be used in the space station as a traction rope for fixing the heat sink and the solar panel. It can be used as a suspension material for engineering equipment when it is placed on the ground. As a blocking cable on the deck of the aircraft carrier.
Especially the latter, this stuff is not expensive.
And these are just one of the uses of this material.
Lu Zhou believes that after the advent of such high Young's modulus and high destructive strength materials, there must be countless people who can come up with ideas for him, which he did not think of.
Go back to the study itself.
For the technical standard given by the system, the best option that Lu Zhou can think of is the carbon-based material with high tensile strength, light weight and strong plasticity.
In particular, a series of graphite-derived reinforced composites such as carbon fiber.
This kind of material not only has a broad imagination in theory, but also his research on computational materials science. At the beginning, when he was doing computational materials research, he started with carbon materials.
Therefore, this task for him can be said to be a little difficult.
It’s like being white!
After leaving the laboratory of Professor Wang Qingping, Lu Zhou did not stop at the Jinling Institute of Advanced Studies, but returned straight to the home.
In the previous revision of the mathematical model against the experimental results, his mind suddenly produced some ideas about the theoretical study of computational materials science.
Perhaps because both mathematics and physics have risen to lv10, Lu Zhou has found that his sensitivity to numbers and physical phenomena has reached a state of supernaturalization.
Even a clue that is almost negligible can be magnified infinitely in his eyes and become a key that can be touched by both hands.
No matter where the inspiration comes from, he has only one thought at the moment.
That is to say that this inspiration has not dissipated, record it.
When I went upstairs to the study room and told Xiao Ai to make a cup of coffee, Lu Zhou sat at the desk and laid the draft paper brought back from the lab on the table.
“The material a synthesized according to the experimental design of the original model has a low density, and after the deposition, a bulky mass is formed, and the diameter of the carbon nanotubes is extremely uneven...”
"The reason for this result should be that the monomeric acrylonitrile is insufficiently subjected to radical polymerization, and a large amount of intermediate products are formed, resulting in insufficient progress in the third stage reaction. Finally, the foamy mixture is formed."
"Oh, interesting."
What makes Lu Zhou interested is not the foamy mixture, but some very interesting phenomena he found when he corrected the calculation model.
After thinking about it for a while, he picked up the pen and wrote a line of text on a blank draft paper.
[implicit density functional method]
Looking at the inspiration of this line being refined into words, Lu Zhou’s mouth could not help but pick up a smile.
In general, when a problem is clearly written, it has already been solved halfway.
At least, for him!
The so-called implicit functional density is a computational material method relative to the explicit functional density, which is a hot research direction in the field of computational materials science.
It is well known that the traditional exchange-related energy functional is an explicit functional directly expressed by the electron density function, and the hohn-shan orbital wave function is used as a direct variable representation method, which is an implicit functional.
The simplest implicit functional is the fock exchange energy, which is often referred to as exact correlation in the context of density functional theory.
For molecular systems, the use of implicit functionals can achieve the accuracy equivalent to second-order multi-body perturbation theory with relatively small computational complexity, so the implicit density functional method is widely regarded as having a broad Prospective computational materials research method.
However, although there are some such things, the shortcomings are obvious. For example, the accuracy is limited, such as the inability to accurately describe the van der Waals interactions, etc., which is almost fatal for the study of solid materials.
Therefore, the implicit density functional method is relatively rare in the study of solid materials, and only some progress has been made in some areas... and this is still the case when the computing power is greatly developed.
At present, the most relevant concern in the academic world is the implicit correlation functional based on the adiabatic associated fluctuation dissipation theorem, which is widely regarded as a breakthrough in studying the inadequacies of overcoming the implicit functional density.
However, the problem of such functionals is not small, especially the huge amount of computation can be tricky even for the most powerful traditional computers. Therefore, the research direction is still in the exploratory study of simple systems.
What Lu Zhou is doing at the moment is to extend this method from a simple system to a relatively complex carbon material research!
Once this research is successful, the help of the entire carbon composite research field will be enormous, and its significance will even surpass the "Young's modulus ≥ 2.1tpa, the damage strength ≥ 80n / m..." The material itself!
The pen on the hand did not stop at all, and after completing the title, Lu Zhou quickly went deep into the exploration of the proposition itself.
[According to the h-k theorem, the ground state energy functional of the system can be expressed as: eg{p(r)}=e{p(r)}+∫v(r)p(r)dr......]
[The functional e{p(r)} can be expressed as: e{p(r)}=t{p(r)}+1/2∫∫{p(r){p(r)drdr+exc{ p(r)}......]
[...]
The line-by-line formula flows out from under the nib, like a brook stream, and merges with the inspiration that comes out of the river, and flows into the sea!
Everything about material inspiration, the number that is visible at this moment, is woven into a language that can be mourned.
Under the cover of this giant network, all the forces and physical characteristics are included, all of which are abstracted into turbulent logic into mathematical language and answered by mathematical methods!
"Then, the shrodinger equation is introduced -"
Gently meditating in the mouth, the tip of the boat pinched at the fingertips, like a sharp short sword, draws a powerful trajectory on the paper, and also pierces the thick cover that covers the end of the maze. fog.
Looking at the result of almost leaping on the paper, Lu Zhou's pupils became brighter and brighter, and the slightly locked brows finally relaxed a slight smile.
Although there is still a long way to go from the end.
But the intuition about science has told him that he is very close to the end!
Time passes by one minute.
The sun has gradually moved from the sky to the corner of the sky.
As the sky outside the window finally completely darkened, the street lights on both sides of the tree-lined path began to light up. At this moment, the boat finally raised its head and took a sigh of relief, stopping the pen that was almost pinched in the hand.
"...The implicit density functional method also has broad prospects for the study of carbon composites, at least for now it has been extended to this area."
“At the same time, this can be considered as a breakthrough in the promotion of this method from a simple system to a complex system.”
“Although there is room for further exploration.”
"But, it’s good to be here for the time being."
After all, Lu Zhou smiled with some satisfaction and put the pen in his hand aside.
Almost at the same time he just put the pen down, a line of light blue text unexpectedly came to his eyes.
At first I thought it was my own mistake, and Lu Zhou blinked subconsciously.
However, the light blue text was not dimmed by his blink of an eye, it was still so clear and could not be ignored...
[Congratulations on the host, complete the task! 】
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