Machine learning can predict the mechanical properties of polymers

A machine learning algorithm can use X-ray diffraction data from polymers to predict the behaviour of new materials

30-Oct-2024 - Polymers such as polypropylene are fundamental materials in the modern world, found in everything from computers to cars. Because of their ubiquity, it’s vital that materials scientists know exactly how each newly developed polymer will perform under different preparation conditions. Thanks to a ...

Evidence stacks up for poisonous books containing toxic dyes

21-Aug-2024 - If you come across brightly colored, cloth-bound books from the Victorian era, you might want to handle them gently, or even steer clear altogether. Some of their attractive hues come from dyes that could pose a health risk to readers, collectors or librarians. The latest research on these ...

Machine learning boosts search for new materials

Scientists have developed deep-learning models that can sift through the massive amounts of data generated by X-ray diffraction techniques

29-Dec-2023 - Scientists from theUniversity of Rochestersay deep learning can supercharge a technique that is already the gold standard for characterizing new materials. In annpj Computational Materialspaper, the interdisciplinary team describes models they developed to better leverage the massive amounts ...

Unveiling molecular origami: A breakthrough in dynamic materials

20-Dec-2023 - Origami, traditionally associated with paper folding, has transcended its craft origins to influence a diverse range of fields, including art, science, engineering, and architecture. Recently, origami principles have extended to technology, with applications spanning solar cells to biomedical ...

Microscopic Transformations of Electrocatalyst Surfaces

Researchers reveal the disordering of copper surfaces during catalysis

24-Aug-2023 - Developing technologies that can convert CO2 into synthetic fuels and base chemicals is of key importance for reaching the climate goals. The electrochemical reduction of CO2 at copper electrodes allows to do this directly with electric power from renewable sources which could be used for the ...

Development of a versatile, accurate AI prediction technique even with a small number of experiments

21-Dec-2021 - NIMS, Asahi Kasei, Mitsubishi Chemical, Mitsui Chemicals and Sumitomo Chemical have used the chemical materials open platform framework to develop an AI technique capable of increasing the accuracy of machine learning-based predictions of material properties (e.g., strength, brittleness) through ...

AI agent helps identify material properties faster

High-throughput X-ray diffraction measurements generate huge amounts of data - The agent renders them usable more quickly

21-Apr-2021 - Artificial intelligence (AI) can analyse large amounts of data, such as those generated when analysing the properties of potential new materials, faster than humans. However, such systems often tend to make definitive decisions even in the face of uncertainty; they overestimate themselves. An ...

Liquid crystals form nano rings

Quantised self-assembly enables design of materials with novel properties

07-Feb-2018 - At DESY's X-ray source PETRA III, scientists have investigated an intriguing form of self-assembly in liquid crystals: When the liquid crystals are filled into cylindrical nanopores and heated, their molecules form ordered rings as they cool – a condition that otherwise does not naturally occur ...

Discovery of gold nanocluster 'double' hints at other shape-changing particles

21-Jun-2016 - Chemically the same, graphite and diamonds are as physically distinct as two minerals can be, one opaque and soft, the other translucent and hard. What makes them unique is their differing arrangement of carbon atoms. Polymorphs, or materials with the same composition but different structures, ...

ORNL tracks how halogen atoms compete to grow 'winning' perovskites

08-Apr-2016 - Researchers at the Department of Energy's Oak Ridge National Laboratory have found a potential path to further improve solar cell efficiency by understanding the competition among halogen atoms during the synthesis of sunlight-absorbing crystals. Photovoltaic cells that convert sunlight directly ...