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Forschungszentrum Jülich GmbH Wilhelm-Johnen-Straße 52428 Jülich, Germany http://www.fz-juelich.de
Contact Mr Prof. Dr. Dominik Marx +49 234 3228083
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Forschungszentrum Jülich GmbH

Viel bringt nicht immer viel

RUB-Forscher enttarnen Janus-Natur mechanischer Kräfte mit Jülicher Spitzenrechner

(PresseBox) (Jülich/ Bochum, )
Je fester man zieht, desto schneller geht's. Das war eine bislang gültige Regel in der Mechanochemie, mit der Forscher chemische Reaktionen durch mechanische Kräfte in Gang setzen. Dass mehr Kraft sich aber nicht eins zu eins in eine umso schnellere Reaktion übersetzen lässt, berichten RUB-Chemiker um Prof. Dominik Marx vom Lehrstuhl für Theoretische Chemie der Ruhr-Universität Bochum in der Zeitschrift "Nature Chemistry". Mit komplexen molekulardynamischen Simulationen am Jülicher Supercomputer "JUQUEEN" enttarnten sie die Janus-Natur der Mechanochemie. Bis zu einer bestimmten Kraft steigt die Reaktionsgeschwindigkeit proportional zur Kraft an. Ist diese Schwelle überschritten, beschleunigen größere mechanische Kräfte die Reaktion wesentlich weniger.

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