dCache integration with CERN Tape Archive
Explore the source record for details and available documents.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Engineering topics
Karimi, M.
Publications and source records attributed to Karimi, M..
Angularly resolved X-ray photoelectron spectroscopy investigation of PTFE after prolonged space exposure
Monochromatized angularly resolved X-ray photoelectron spectroscopy (ARXPS) was used to study PTFE (Teflon) that had been exposed to an earth orbital environment for approximately six years. The primary interest of the research is on a very reactive component of this environment (atomic oxygen) which, because of the typical orbital velocities of a spacecraft, impinge on exposed surfaces with 5 eV energy. This presentation deals with the method of analysis, the findings as they pertain to a rather complex carbon, oxygen, and fluorine XPS peak analysis, and the character of the valence bands. An improved bias referencing method, based on ARXPS, is also demonstrated for evaluating specimen charging effects. It was found that the polymer molecule tends to resist the atomic oxygen attack by reorienting itself, so that the most electronegative CF3 groups are facing the incoming hyperthermal oxygen atoms. The implications of these findings to ground-based laboratory studies are discussed.
Dalins, I.↗
Surface disordering of Pb(110)
A molecular dynamics simulation of Pb(110), using embedded atom method energy functional and two-body potential derived for the purpose, shows that near 400 K the three surface layers begin to disorder well before the bulk (interior) layers. Transfer of atoms from the first subsurface layer to the surface layer occurs. Disordering propagates beyond the top three layers above 550 K, accompanied by formation of an adlayer and vacancies in the top three layers. Behavior of the two-dimensional layer structure factors indicates that disordering is anisotropic. Simulation results are consistent with experimental observations of surface roughening near 400 K and more extensive surface ordering above 525 K. Results are consistent with simulations for Ni and Al.
Tibbits, P.↗
Molecular Dynamics study of Pb overlayer on Cu(100)
Isothermal-isobaric Molecular Dynamics (MD) simulation of a submonolayer Pb film in c(2x2) ordered structure adsorbed on a Cu(100) substrate showed retention of order to high T. The Embedded Atom Method (EAM) calculated the energy of atoms of overlayer and substrate. The time-averaged squared modulus of the two dimensional structure factor for the Pb overlayer measured the order of the overlayer. The results are for increasing T only, and require verification by simulated cooling.
Karimi, M.↗
Structural and electronic changes in the growth of mercury overlayers on Cu(001) - A helium beam scattering, LEED and ARPES study
We used ABS, LEED and angle-resolved photo-electron spectroscopy (ARPES) to study bilayer films of Hg on Cu(001). In the surface temperature range of 180 to 330 K, the first Hg layer forms two ordered phases, a c(2x2) (with coverage-0.5 of Cu(001)) and a high density (partially commensurate) c(4x4) (coverage-0.62). ARPES data show that there is little or no dispersion of the 5d band of Hg. ABS data show that this layer is not flat, with in-registry Hg atoms lying about 0.15 below the not-in-registry Hg atoms. From ABS we find that the second layer forms a completely registered c(4x4) phase. From ARPES we obtain that the second layer has an electronic structure, particularly the 5d levels, characteristic of bulk mercury. Preliminary results of calculations of the structure of the bilayer are given.
Vidali, G.↗
Order/disorder and phase diagram of H on Pd(100)
A phase boundary for H-Pd(100) was calculated using the Metropolis (1953) algorithm and the embedded atom method (EAM) described by Daw and Foiles (1987). The calculated phase boundary agreed with an experimentally determined phase boundary in its curvature and the coverage at which maximum Tc appeared, but was about 125 K lower than the experimental phase boundary.
Tibbits, P.↗
Application of the embedded atom method to Pb and Be
We have derived the embedding energy functional and two-body potential of the embedded atom method using decreasing exponentials for both the electron density and the two body potential. The embedding function was obtained from the equation of state given by Rose et al. (1984). Because of the form of the embedding function, the equilibrium lattice constant, cohesive energy, and bulk modulus are automatically satisfied. The two parameters phi(e) and gamma of the two-body potential were determined by fitting to shear modulus and the single vacancy formation energy. Contributions of up to the third nearest neighbors were included in the evaluation of the charge density rho and the two-body potential phi. The stability and anisotropy of each structure were estimated and compared with the available experimental data.
Karimi, M.↗
Interaction of H2 with simple metal surfaces - A model based on the anisotropic effective medium theory
Calculations are presented for the interaction of H2 with surfaces of Cu, Ag, Au and Al. The repulsive part of the potential is evaluated using the results of anisotropic effective medium theory (AEMT) while the attractive part is calculated from anisotropic damped dipole-dipole and damped dipole-quadrupole interactions. The model does not have any fitting parameters and its predictions are in excellent agreement with the available experimental data. The anisotropy of H2 is included in the model but our results show that this effect is very small.
Karimi, M.↗