منابع مشابه
Atomistic simulation of the transition from atomistic to macroscopic cratering.
Using large-scale atomistic simulations, we show that the macroscopic cratering behavior emerges for projectile impacts on Au at projectile sizes between 1000 and 10000 Au atoms at impact velocities comparable to typical meteoroid velocities. In this size regime, we detect a compression of material in Au nanoparticle impacts similar to that observed for hypervelocity macroscopic impacts. The si...
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ACKNOWLEDGEMENTS Thank you to my family and friends for their continued support.
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Understanding the speciation of mercury throughout the coal-combustion process is crucial to the design of efficient and effective mercury removal technologies. Mercury oxidation takes place through combined homogeneous (i.e., strictly in the gas phase) and heterogeneous (i.e., gas–surface interactions) pathways. Both bench-scale combustion experiments [1] and quantumchemistry-based theoretical...
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Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic scale therefore critically influence the toughness and overall fracture behavior of materials. Atomistic simulationmethods including large-scalemolecular dynamics simulations with classical potentials, density functional theory calculations and advanced concurrent multiscale methods have led to new ins...
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Friday July 8 2005 Editors: J.Bernardini, H.Dallaporta, Ch. Girardeaux 10 International Conference on the Formation of Semiconductor Interfaces (ICFSI-10) Aix-en-Provence, France, July 3-8, 2005 Friday 2 Fr.Plenary-8.30 I ATOMISTIC NANODEVICE SIMULATION Michel Lannoo L2MP UMR CNRS 6137, Faculté des Sciences de St Jérôme, F-13397 Marseille Cedex There now exist a large variety of methods for the...
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ژورنال
عنوان ژورنال: Nature Reviews Chemistry
سال: 2020
ISSN: 2397-3358
DOI: 10.1038/s41570-020-0172-5