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139 Current news about the topic computer simulations

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The behavior of water

New properties of H2O

15-Aug-2018

A team of scientists has uncovered new molecular properties of water--a discovery of a phenomenon that had previously gone unnoticed. Liquid water is known to be an excellent transporter of its own autoionization products; that is, the charged species obtained when a water molecule (H2O) is split ...

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Breaking the bond: To take part or not?

10-Jul-2018

Physicists working with Roland Wester at the University of Innsbruck have investigated if and how chemical reactions can be influenced by targeted vibrational excitation of the reactants. They were able to demonstrate that excitation with a laser beam does not affect the efficiency of a chemical ...

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Water compresses under a high gradient electric field

04-Jul-2018

Modern civilization relies on water's incompressibility--it's something we take for granted. Hydraulic systems harness the virtual non-compressibility of fluids like water or oil to multiply mechanical force. Bulldozers, cranes, and other heavy machinery exploit the physics of hydraulics, as do ...

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New material for splitting water

20-Jun-2018

Solar energy is clean and abundant. But when the sun isn't shining, you must store the energy in batteries or through a process called photocatalysis -- in which solar energy is used to make fuels. In photocatalytic water splitting, sunlight separates water into hydrogen and oxygen. The hydrogen ...

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How order first appears in liquid crystals

24-May-2018

Liquid crystals undergo a peculiar type of phase change. At a certain temperature, their cigar-shaped molecules go from a disordered jumble to a more orderly arrangement in which they all point more or less in the same direction. LCD televisions take advantage of that phase change to project ...

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More than just spectators: Influence of ions on atomic motions investigated

03-May-2018

In batteries, fuel cells or technical coatings, central chemical processes take place on the surface of electrodes which are in contact with liquids. During these processes, atoms move over the surface, but how this exactly happens has hardly been researched. Physicists at Kiel University want to ...

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An atom full of atoms

Exotic state of matter

26-Feb-2018

What is inside an atom, between the nucleus and the electron? Usually there is nothing, but why could there not be other particles too? If the electron orbits the nucleus at a great distance, there is plenty of space in between for other atoms. A "giant atom" can be created, filled with ordinary ...

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Weak hydrogen bonds key to strong, tough infrastructure

31-Jan-2018

The right mix of hydrogen bonds in polymer and cement composites is critical to making strong, tough and ductile infrastructure material, according to Rice University scientists who want to mimic the mechanics of mother-of-pearl and similar natural composites with synthetic materials. Seashells ...

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Surprising discovery could lead to better batteries

16-Jan-2018

A collaboration led by scientists at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory has observed an unexpected phenomenon in lithium-ion batteries--the most common type of battery used to power cell phones and electric cars. As a model battery generated electric current, the ...

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Electrostatic force takes charge in bioinspired polymers

06-Nov-2017

Researchers at the University of Illinois and the University of Massachusetts, Amherst have taken the first steps toward gaining control over the self-assembly of synthetic materials in the same way that biology forms natural polymers. This advance could prove useful in designing new bioinspired, ...

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