Computational trick enables better understanding of exotic state of matter

New process relevant for fusion and materials research

30-Jun-2025 - It can be found inside gas giants such as Jupiter and is briefly created during meteorite impacts or in laser fusion experiments: warm dense matter. This exotic state of matter combines features of solid, liquid and gaseous phases. Until now, simulating warm dense matter accurately has been ...

When Electrons "Jump" into Water: The Secret Behind High Electrode Capacities

Researchers decode how minimal "electron spillover" increases energy storage capacity tenfold

27-Jun-2025 - In order to develop improved electrolysers for regenerative hydrogen production, the processes on the surfaces of the metal electrodes used must be precisely understood. Researchers from the Theory Department at the Fritz Haber Institute have now been able to show that even the smallest spillover ...

Observing the ultrafast electrical charging of liquids

Results extend applicability to diverse systems, from biological membranes to next-generation energy storage devices

29-Apr-2025 - Charged surfaces in contact with liquids – such as biological cell walls or battery electrodes – attract oppositely charged ions from the liquid. This creates two distinct charged regions: the surface itself and a counter-charged region in the liquid: The so-called electrical double layer. While ...

Chatbot opens computational chemistry to nonexperts

New tool turns complex process of simulating molecules in solution into a user-friendly chat

11-Apr-2025 - Advanced computational software is streamlining quantum chemistry research by automating many of the processes of running molecular simulations. The complicated design of these software packages, however, often limits their use to theoretical chemists trained in specialized computing techniques. ...

How to get rid of carbon dioxide for good

What happens when captured CO2 is pumped into the ground? Highly sophisticated computer simulations make it possible to predict its long-term behaviour

09-Apr-2025 - We have to stop emitting carbon dioxide (CO2) if we want to save the climate – there is no doubt about that. But that alone will not be enough. In addition, it will also be necessary to capture CO2 that is already present in the atmosphere, and store it permanently, for example by pumping it deep ...

Getting More Out of the Battery with Simulations

Modern simulation tools and innovative measurement techniques to drive forward the further development of battery cells for electric cars

04-Apr-2025 - Researchers at the Fraunhofer Institute for Industrial Mathematics ITWM are using innovative technologies to focus on battery behavior during charging and discharging, the optimization of battery production and the aging of batteries. They use modern simulation tools and innovative measurement ...

Breakthrough in materials research: The metal that does not expand

An alloy of several metals has been developed that shows practically no thermal expansion over an extremely large temperature interval

05-Feb-2025 - Most metals expand when their temperature rises. The Eiffel Tower, for example, is around 10 to 15 centimetres taller in summer than in winter due to its thermal expansion. However, this effect is extremely undesirable for many technical applications. For this reason, the search has long been on ...

Overcoming Material Shortages: Simulations and Advanced Testing Methods Highlight Alternatives to Conventional Materials

Fraunhofer IWS Develops Innovative Material and Process Solutions for Industrial Challenges amid Resource Scarcity

12-Dec-2024 - The scarcity of raw materials poses severe challenges to global industries. Recycling and the increased use of secondary raw materials have become essential for many companies. At the same time, rising raw material prices and uncertainties in supply chains are driving further research into ...

AI tackles one of the most difficult challenges in quantum chemistry

26-Aug-2024 - New research using neural networks, a form of brain-inspired AI, proposes a solution to the tough challenge of modelling the states of molecules. The research shows how the technique can help solve fundamental equations in complex molecular systems. This could lead to practical uses in the ...

Batteries: Modeling tomorrow's materials today

Microstructure simulations reveal strong influence of elastic deformations on charging behavior of layered oxides as cathode in sodium-ion batteries

02-May-2024 - What factors determine how quickly a battery can be charged? Researchers at the Karlsruhe Institute of Technology (KIT) are investigating this and other questions using computer-aided simulations. Microstructure models are helping to discover and investigate new electrode materials. For ...