Browsing by Author "0af67ee0-09a6-46c4-b73e-f33bcc471c95"
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Valencia, Felipe; González, Rafael I.; Tramontina, Diego; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Bringa, Eduardo (American Chemical Society, 2016-10-20)The potential and properties of palladium hollow nano particles (hNPs) as a possible H storage material are explored by means of classical molecular dynamics (MD) simulations. First, we study the stability of pure Pd hNPs ...
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González, Rafael I.; Rogan Castillo, José; Bringa, Eduardo; Valdivia Hepp, Juan (American Chemical Society, 2016)The mechanical response of aluminosilicate nano tubes (imogolite) under compression is investigated by means of classical molecular dynamics simulations using the CLAYFF potential. Using the uncompressed length L-0, when ...