Revolution in Materials Discovery: The Power of Computational Methods
- Material Gurl
- Jun 16, 2023
- 1 min read
Hey there, readers! Flashback to my Marvel-obsessed childhood: I remember watching in awe as Tony Stark created a new material with JARVIS's help in Iron Man. Little did I know that years later, as a computational materials researcher, I'd be facepalming at the sheer inaccuracies of the scene.
That's why I'm here to take you on a journey through the exciting and sometimes frustrating world of computational materials science. From firing up my computer to run simulations and crunching numbers for hours on end, to heading to the lab and getting my hands dirty with trial-and-error experiments, I'll share with you the ups and downs of working in this field.
So, let's suit up and dive into the nitty-gritty of the wild world of materials design through computational methods!
The Iconic Iron Man Scene and it's inaccuracies!
For those who haven't been bitten by the Marvel bug, don't worry, I won't judge you... okay, maybe a little. But fear not, I'll break it down for you like I'm explaining the plot to a clueless Groot. So, whether you think Hawkeye is just a fancy name for an archery supply store, or if you're convinced that Drax is a new prescription medication, sit back and let me tell you about the most badass scene in the MCU for a materials scientist since Cap lifted Mjolnir! Grab your popcorn and buckle up for some materials science excitement!
In Iron Man, Tony Stark faces a life-threatening problem - the palladium in his arc reactor is slowly killing him. Palladium is a material that when exposed to air or water, can corrode and release toxic fumes, making it unsuitable for prolonged use in a biomedical setting. So, what does he do? He turns to his trusty AI assistant, JARVIS, to help him find a solution. Together, they attempt to replace the palladium in the arc reactor with a new material, in a matter of mere seconds.
As a computational researcher, I have to say that this scene is a BIT frustrating to watch. While computational modelling can help researchers predict the properties of different materials, it can't create new materials out of thin air - especially not in a matter of seconds!
Creating a new material involves a complex and rigorous process that takes time and careful experimentation. It's not something that can be done with a few button presses or a wave of a pencil, no matter how advanced your AI assistant may be. Even with JARVIS's computational power, it's highly unlikely that they could create a new material on the spot like that.
So, while the scene in Iron Man may be entertaining, it's important to remember that it's not an accurate representation of the reality of materials science. Creating new materials requires hard work, dedication, and a lot of trial and error. You can't just replace palladium and create a new material in a matter of seconds - sorry, Tony and JARVIS!
The Reality of Materials Discovery: Harsh but also SUPER Exciting :)
So, you dream of creating a new material that could revolutionize the world? Buckle up, because the road to discovery is a wild ride full of twists, turns, and a whole lot of math. As a computational materials scientist, you'll start by firing up your computer and running simulations to predict the properties of your dream material. Think of it like playing a complicated video game, but with a lot more math and fewer dragons (unless you're working on dragon-scale armor, of course).
You might use Density Functional Theory (DFT) to predict the electronic structure and properties of your material, or you might go with Molecular Dynamic simulations to see how the atoms and molecules in your material interact. Or maybe you'll try Monte Carlo simulations to model the behaviour of your material on a larger scale. Either way, get ready to crunch some serious numbers - these simulations can take hours, days, or even weeks to complete. But hey, at least you can do it all while wearing your pajamas - One of the many reasons I chose to be a computational scientist ; )
Let’s not get into the ones that could take years, FOR NOW :) (topic for another blog coming soon!)
Once you've got a promising material on paper, it's time for the experimentalists to head to the lab to get their hands dirty. You'll need to synthesize your material using a variety of techniques, testing it under different conditions to see how it performs. And let's face it, things don't always go smoothly in the lab - expect your experiments to be as unpredictable as a mad scientist's hair. :\
But hey, that’s all part of the fun, right? Because when you finally create that amazing new material, the one that could change the world, it'll all be worth it. You'll feel like a superhero, or maybe even a supervillain (we won't judge). Just don't forget to thank your trusty computational models and AI assistants for all their hard work along the way.
So keep crunching those numbers and dreaming up new materials, because who knows - the next Iron Man suit might just be one simulation away. And who wouldn't want to be a superhero, even if it's just in the lab?
Adversity is the Mother of Innovation: Scope for Computational Materials Science
Conclusion
Head over to the resources section of the website to study these topics in detail. Don’t forget to get a hands-on experience with the aforementioned methods through the open-access material.
To conclude, thank you for reading my post on materials science and joining me on this exciting journey of discovery. I hope you found it informative and enjoyable. Stay tuned for my next post where I will delve into another fascinating topic in the field of materials science.
Until then, keep exploring and learning!
- Material Gurl <3
Comments