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A systematic, decoration-based technique to discover the atomic structure of a decagonal quasicrystal, given pair potentials and experimentally measured lattice constants, is applied to the ``basic'' cobalt-rich decagonal Al-Co-Ni…

材料科学 · 物理学 2007-05-23 Nan Gu , M. Mihalkovic , C. L. Henley

We present new evidence supporting the quasi-unit cell description of the $Al_{72}Ni_{20}Co_{8}$ decagonal quasicrystal which shows that the solid is composed of repeating, overlapping decagonal cluster columns with broken 10-fold symmetry.…

凝聚态物理 · 物理学 2009-10-31 E. Abe , K. Saitoh , H. Takakura , A. P. Tsai , P. J. Steinhardt , H. -C. Jeong

We investigate the high temperature decagonal quasicrystalline phase of Al$_{72}$Ni$_{20}$Co$_8$ using a quasilattice gas Monte-Carlo simulation. To avoid biasing towards a specific model we use an over-dense site list with a large fraction…

材料科学 · 物理学 2007-05-23 S. Naidu , M. Mihalkovic , M. Widom

We use energy minimization principles to predict the structure of a decagonal quasicrystal - d(AlCoNi) - in the Cobalt-rich phase. Monte Carlo methods are then used to explore configurations while relaxation and molecular dynamics are used…

材料科学 · 物理学 2009-11-11 Nan Gu , M. Mihalkovic , C. L. Henley

Scanning tunnelling microscopy has been used to study the formation of a Bi monolayer deposited on the five-fold surface of i-Al70Pd21Mn9. Upon deposition of low sub-monolayer coverages, the nucleation of pentagonal clusters of Bi adatoms…

其他凝聚态物理 · 物理学 2009-11-13 J. A. Smerdon , J. K. Parle , L. H. Wearing , T. A. Lograsso , A. R. Ross , R. McGrath

In the Al-Co-Cu alloy system, both the decagonal quasicrystal with the space group of $P\overline{10}m2$ and its approximant Al$_{13}$Co$_4$ phase with monoclinic $Cm$ symmetry are present around 20 at.% Co-10 at.% Cu. In this study, we…

材料科学 · 物理学 2016-10-13 K. Nakayama , A. Mizutani , Y. Koyama

Extensive density-functional calculations are performed for chemisorption of atoms in the three first periods (H, B, C, N, O, F, Al, Si, P, S, and Cl) on the polar TiC(111) surface. Calculations are also performed for O on TiC(001), for…

材料科学 · 物理学 2007-05-23 Carlo Ruberto , Bengt I. Lundqvist

Atomic structures of Al-Co-Cu decagonal quasicrystals (QCs) are investigated using empirical oscillating pair potentials (EOPP) in molecular dynamic (MD) simulations that we enhance by Monte Carlo (MC) swapping of chemical species and…

材料科学 · 物理学 2024-04-23 Y. Huang , M. Widom , M. Mihalkovič

The grand canonical Monte Carlo method is employed to study the adsorption of Xe on a quasicrystalline Al-Ni-Co surface. The calculation uses a semiempirical gas-surface interaction, based on conventional combining rules and the usual…

软凝聚态物质 · 物理学 2009-11-11 Wahyu Setyawan , Nicola Ferralis , Renee D. Diehl , Milton W. Cole , Stefano Curtarolo

Classical molecular dynamics simulation with embedded atom method potential had been performed to investigate the surface structure and solidification morphology of aluminum nanoclusters Aln (n = 256, 604, 1220 and 2048). It is found that…

材料科学 · 物理学 2015-05-13 F. L. Tang , W. J. Lu , G. B. Chen , Y. Xie , W. Y. Yu

This paper reviews recent progress in the study of rare gas films on quasicrystalline surfaces. The adsorption of Xe on the 10-fold surface of decagonal Al-Ni-Co was studied using low-energy electron diffraction (LEED). The results of these…

材料科学 · 物理学 2009-11-11 R. D. Diehl , W. Setyawan , N. Ferralis , R. A. Trasca , M. W. Cole , S. Curtarolo

We have studied and resolved occupancy correlations in the existing average structure model of the complex metallic alloy xi'-Al-Pd-Mn [Boudard et al., Phil. Mag. A, 74, 939 (1996)], which has approximately 320 atoms in the unit cell and…

Quasicrystals are fascinating structures, characterized by strong positional order but lacking the periodicity of a crystal. In colloidal systems, quasicrystals are typically predicted for particles with complex or highly specific…

软凝聚态物质 · 物理学 2022-02-28 Etienne Fayen , Marianne Impéror-Clerc , Laura Filion , Giuseppe Foffi , Frank Smallenburg

An interaction potential energy between and adsorbate (Xe and Ar) and the 10-fold Al-Ni-Co quasicrystal is computed by summing over all adsorbate-substrate interatomic interactions. The quasicrystal atoms' coordinates are obtained from LEED…

材料科学 · 物理学 2009-11-10 R. A. Trasca , N. Ferralis , R. D. Diehl , M. W. Cole

The occurrence of stable decagonal quasicrystalline phase in Al-Co-Ni and Al-Cu-Co alloys through conventional solidification is well established. Earlier, we have studied the effect of Cu substitution in place of Co in the Al70 Co15Ni15…

材料科学 · 物理学 2007-05-23 T. P. Yadav , N. K. Mukhopadhyay , R. S. Tiwari , O. N. Srivastava

The dodecagonal quasicrystal classified into the five-dimensional space group P126/mmc, recently discovered in a Mn-Cr-Ni-Si alloy, has been analyzed using atomic-resolution spherical aberration-corrected electron microscopy, i.e.…

材料科学 · 物理学 2016-02-17 Tsutomu Ishimasa , Shuhei Iwami , Norihito Sakaguchi , Ryo Oota , Marek Mihalkovic

We report the in situ formation of an ordered equilibrium decagonal Al-Pd-Mn quasicrystal overlayer on the 5-fold symmetric surface of an icosahedral Al-Pd-Mn monograin. The decagonal structure of the epilayer is evidenced by x-ray…

无序系统与神经网络 · 物理学 2009-11-07 D. Naumovic , P. Aebi , L. Schlapbach , C. Beeli , K. Kunze , T. A. Lograsso , D. W. Delaney

Decagonal quasiperiodic ordering of Sn thin film on $d$-Al-Ni-Co, is shown based on scanning tunneling microscopy (STM), low-energy electron diffraction and density functional theory (DFT). Interestingly, the decagonal structural…

The adsorption kinetics of CO on PdAu bimetallic clusters, containing 140 $\pm$ 12 atoms and a composition varying between 0% and 55% of Pd atoms, is investigated by a pulsed molecular beam method (MBRS). The clusters are grown on a…

材料科学 · 物理学 2020-11-03 Georges Sitja , Claude R Henry

We measured the temperature and fluence dependence of the time-resolved photoinduced optical reflectivity in a decagonal Al_{71.9}Ni_{11.1}Co_{17.0} quasicrystal. We find no evidence for the relaxation of a hot thermalized electron gas as…

其他凝聚态物理 · 物理学 2009-03-02 T. Mertelj , A. Oslak , J. Dolinsek , I. R. Fisher , V. V. Kabanov , D. Mihailovic
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