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http://dx.doi.org/10.1103/physrevb.54.r5275 | DOI Listing |
Phys Rev E
November 2019
Department of Mechanical Engineering, Northwestern University, Evanston, Illinois 60208, USA.
Size-driven particle segregation can occur when an object such as a blade moves through an otherwise static bed of granular material. Here we use discrete element method (DEM) simulations to study segregation resulting from a subsurface blade moving through a bed of size-bidisperse spherical particles. Segregation increases with each pass of the blade until a surface layer of mostly large particles forms above a small-particle layer adjacent to the bottom wall.
View Article and Find Full Text PDFJ Phys Chem Lett
December 2017
Department of Mechanical Engineering & Materials Science and Engineering Program, State University of New York at Binghamton, Binghamton, New York 13902, United States.
Using in situ transmission electron microscopy that spatially and temporally resolves the evolution of the atomic structure in the surface and subsurface regions, we find that the surface segregation of Au atoms in a Cu(Au) solid solution results in the nucleation and growth of a (2 × 1) missing-row reconstructed, half-unit-cell thick L1 CuAu(110) surface alloy. Our in situ electron microscopy observations and atomistic simulations demonstrate that the (2 × 1) reconstruction of the CuAu(110) surface alloy remains as a stable surface structure as a result of the favored Cu-Au diatom configuration.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2014
Department of Applied Physics, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan.
We report results of the segregation induced by the adsorption of O2 and the barrier of the formation of Cu2O in Cu3Au(111) with an experimental and theoretical approach. Oxidation by a hyperthermal O2 molecular beam (HOMB) was investigated by X-ray photoemission spectroscopy in conjunction with a synchrotron light source. From the incident-energy dependence of the measured O-uptake curve, dissociative adsorption of O2 is less effective on Cu3Au(111) than on Cu(111).
View Article and Find Full Text PDFJ Chem Phys
December 2008
Department of Applied Physics, Hunan University, Changsha 410082, China.
Density functional theory calculations have been employed to study the effects of alloy on energetics and preferential adsorption sites of atomic (H, C, N, O, S), molecular (N(2), NO, CO), and radical (CH(3), OH) adsorption on RhMn(111) alloy surface, and underlying electronic and structural reasons have been mapped out. We find that though Mn is energetically favorable to stay in the subsurface region, the RhMn surface alloy may be developed via the segregation induced by strong interaction between oxygen-containing species and Mn. Independent of adsorbates (not including O and OH), the interactions between these species and Rh atoms are preferential, and enhanced in general due to the ligand effects induced by Mn nearby.
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