UCL scientists have shown how advanced computer simulations can be used to design new composite materials.
Nanocomposites, which are widely used in industry, are revolutionary materials in which microscopic particles are dispersed through plastics. But their development until now has been largely by trial and error.
The ‘virtual lab’ developed using supercomputer simulations greatly improves scientists’ understanding of how composite materials are built on a molecular level. They allow the properties of a new material to be predicted based simply on its structure and the way it is manufactured, which the team behind the project say is a holy grail of materials science.
“Developing composite materials has been a bit of a trial-and-error process until now,” says Dr James Suter (UCL Chemistry), the first author of the study. “It typically involves grinding and mixing the ingredients and hoping for the best. Of course we test the properties of the resulting materials, but our understanding of how they are structured and why they have the properties they have, is quite limited. Our work means we can now predict how a new nanocomposite will perform, based only on their chemical composition and processing conditions.”
The team led by Professor Peter Coveney and based at the UCL Centre for Computational Science, looked at a specific type of composite material, where particles of the clay called montmorillonite are mixed with a synthetic polymer. It is impossible to study these with microscopes – the processes are smaller than the wavelength of light, and therefore can’t be observed directly. Moreover, the structure of the clay particles makes them tricky to study through less direct methods. The clay particles resemble stacked packs of playing cards, made up of tightly packed sheets (the cards) that may separate out and sometimes cleave off entirely as the long chain-like polymer molecules slide between them. This means much of the interaction between the polymer and the clay is hidden from view.
“Our study developed computer simulations that describe precisely how the layered particles and the polymer chains interact,” says co-author Dr Derek Groen (UCL Chemistry). “The challenge is getting enough precision without the computer simulation being unmanageable. Certain processes need a highly detailed simulation which describes everything on a quantum level – but if we simulated the entire sample at that level, we’d literally need several decades of supercomputer time.”
The Latest on: Supercomputer virtual lab
[google_news title=”” keyword=”Supercomputer virtual lab” num_posts=”10″ blurb_length=”0″ show_thumb=”left”]
via Google News
The Latest on: Supercomputer virtual lab
- Los Alamos' Nvidia-powered Venado supercomputer trades accuracy for efficiency with 10 exaFLOPS for AI workloadson April 17, 2024 at 7:11 am
The Los Alamos National Laboratory has a new high-performance computing (HPC) system named Venado, a supercomputer specifically designed to accelerate AI algorithms and AI-based research programs.
- Samsung’s first mixed reality device probably won’t be a real Vision Pro rivalon April 16, 2024 at 3:05 pm
Google is teasing AR announcements for I/O 2024. Will we see Samsung's mysterious XR headset that will compete against the Vision Pro?
- Teens age 16-17 needed for Motion Lab in-person studyon April 16, 2024 at 9:37 am
The possible tasks of the study include a treadmill walking task, a virtual reality task, and computer-based video game tasks ...
- Immersive Learning: The Next Frontier of Higher Educationon April 16, 2024 at 9:14 am
As students develop skills to succeed in the workforce, technologies such as artificial intelligence, virtual reality, and augmented reality are providing a priceless opportunity to learn by doing.
- Los Alamos National Lab unveils new supercomputer primed for AIon April 15, 2024 at 3:26 pm
NVIDIA, Hewlett Packard, and the Department of Energy jointly bought a new supercomputer to the New Mexico lab outfitted for processing large volumes of data. The Los Alamos National Laboratory ...
- Augmented reality: An important invention or pure distraction?on April 15, 2024 at 5:05 am
New glasses with this technology are starting to become more popular. Supporters say that they do not make people more insular, while experts recommend against using them daily ...
- Star Trek's Holodeck recreated using ChatGPT and video game assetson April 13, 2024 at 6:32 pm
Star Trek's Holodeck is no longer just science fiction. Using AI, engineers have created a tool that can generate 3D environments, prompted by everyday language.
- UAlbany using virtual reality in the classroom to help teach studentson April 5, 2024 at 2:31 pm
A LBANY, N.Y. ( NEWS10) — A local college is at the forefront of using new, emerging tech in the classroom. The University at Albany has rolled out the first class in the university’s history that ...
- Divine Simbi Ndhlukula Unveils Ground breaking Computer Lab and Libraryon March 25, 2024 at 5:00 pm
Prominent philanthropist and award-winning businesswoman Divine Simbi Ndhlukula unveiled a state-of-the-art computer lab and library programme at Makudo Business Centre in rural Gutu at the weekend.
- Labs & Classroomson March 20, 2024 at 1:36 am
Computer Labs have more than one computer where faculty and/or students are expected to use the computers. Departmental Labs are computer labs designed with a specific department in mind in terms of ...
via Bing News