How an electron behaves in an atom, or how it moves in a solid, can be predicted precisely with the equations of quantum mechanics. These theoretical calculations agree with the results from experiments. But complex quantum systems, which contain many electrons or elementary particles can currently not be described exactly. A team from Kiel University has now developed a simulation method, which enables quantum mechanical calculations up to around 10,000 times faster than previously possible.
Scientists at The University of Tokyo studied a method for recycling unused concrete with wood fibers. They found the conditions that produce new building materials with bending strength even greater than the original concrete. This work may help reduce the CO2 emissions associated with manufacturing new concrete.
In a first for quantum physics, University of Otago researchers have 'held' individual atoms in place and observed previously unseen complex atomic interactions.
The C-O and C-S bonds break in the side chains of aromatic and alicyclic hydrocarbons. The content of primary (Cp) and the sum of secondary and quaternary (Csq) carbons was increased, while the content of tertiary (Ct) and aromatic carbons (Car) declined. The high-molecular poly-alicyclic and polyaromatic components had lost the straight and branched aliphatic hydrocarbons, and then were transformed into coke like substance -- carbene-carboids.
Research published in the Journal of the American Chemical Society by University of Utah chemists Pavithra Naullage and Valeria Molinero provides the foundation to design efficient polymers that can prevent the growth of ice that damages cells.
The discovery shows that when electrons can be made to attract one another, they can form bunches of two, three, four and five electrons that behave like new types of particles.
Researchers from Graz University of Technology and the University of Vienna are demonstrating for the first time how the energy flow between strongly interacting molecular states can be better described.
Employing a computer simulation, physicists Maximilian Liebetreu and Christos Likos have shown a unique dynamic behavior of cyclic polymers. Their motion can be distinguished into phases, and the scientists were able to observe the so-called "inflation phase" for the first time. During this new phase, they observed swelling and self-stabilization of the polymers. The results have been published in the first volume of new journal Nature Communications Materials.
How much carbon lies deep in the Earth's water reservoirs? Using complex computer simulations, Pritzker School of Molecular Engineering researcher Giulia Galli studied what happens when carbon dioxide is dissolved in water. Her work provides a step toward better understanding our planet's carbon cycle.
Water is a familiar substance that is present virtually everywhere. The properties of the first few layers of water molecules in contact with the surface of materials (called 'surface water') are especially important in materials science. In a recent study led by Prof Takahiro Yamamoto of Tokyo University of Science, scientists employed statistical data analysis tools to reveal what happens to water molecules on top of graphene.