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5 results for "Mechanochemistry-TBD"
5 results for "Mechanochemistry-TBD"
Ekin Dogus Cubuk
Dogus currently works at Google. He finished his Ph.D. studying structural complexities in atomistic systems, ranging from disordered solids to catalytic surfaces, in 2016. He worked on developing methodologies to combine first-principles calculations...
Identifying Structural Flow Defects in Disordered Solids Using Machine-Learning Methods
We use machine-learning methods on local structure to identify flow defects—or particles susceptible to rearrangement—in jammed and glassy systems. We apply this method successfully to two very different systems: a two-dimensional experimental realization...
Reactive Flow in Silicon Electrodes Assisted by the Insertion of Lithium
In the search for high-energy density materials for Li-ion batteries, silicon has emerged as a promising candidate for anodes due to its ability to absorb a large number of Li atoms. Lithiation of Si leads to large deformation and concurrent changes in...
Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF
Silicon (Si) has been recognized as a promising anode material for the next-generation high-capacity lithium (Li)-ion batteries because of its high theoretical energy density. Recent in situ transmission electron microscopy (TEM) revealed that the...