Materials Literature
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We utilize the many-body potentials developed by Sutton and Chen(1990) within the context of the tight-binding approach to study the bulk properties of metals and metal alloys in molecular dynamics (MD) simulations. In the simulations of Pt-Rh alloys we used the MD algorithms based on an extended Hamiltonian formalism…
A model is studied for the theoretical description of nanoscale magnetic films with high perpendicular anisotropy. In the model the magnetic film is described in terms of single domain magnetic grains with Ising-like behavior, interacting via exchange as well as via dipolar forces. Additionally, the model contains an…
We performed density-functional theory calculations using the generalized gradient approximation for the exhange-correlation functional to investigate the unusual catalytic behavior of Ru under elevated gas pressure conditions for the carbon monoxide oxidation reaction, which includes a particularly high CO_2 turnover…
The reactions of the (arylamino)silanetriols with mono-, di-, and trifunctional alkyl/aryl tin(IV) chlorides have been investigated. Treatment of (arylamino)silanetriols RSi(OH) 3 ( 1, 2 ) with Me 3 SnCl leads to the isolation of the acyclic stannasiloxanes RSi(OSnMe 3 ) 3 (R = (2,6-Me 2 C 6 H 3 )NSiMe 3 ( 3 ), (2,6-…
Nup475 is a nuclear zinc-binding protein of unknown function that is induced in mammalian cells by growth factor mitogens. Nup475 contains two tandemly repeated sequences YKTELCX8CX5CX3H (Cys3His repeats) that are thought to be zinc-bindin domains. Similar sequences have been found in a number of proteins from various…
It has been known for many years that fluoroacetate and fluorocitrate when metabolized are highly toxic, and that at least one effect of fluorocitrate is to inactivate aconitase. In this paper we present evidence supporting the hypothesis that the (-)-erythro diastereomer of 2-fluorocitrate acts as a mechanism based i…
We consider a dilute solution of infinitely rigid rods near a curved, perfectly repulsive surface and study the contribution of the rod depletion layer to the bending elastic constants of membranes. We find that a spontaneous curvature state can be induced by exposure of BOTH sides of the membrane to a rod solution. A…
We explore the possibility of using the Kaluza-Klein geometry of Riemannian Submersions to modify the classical Maxwell Theory. We further argue that the resulting modification of Electromagnetism may be interesting in the context of, among other topics, magnetic oscillations in metals.
Immunoliposomes (antibody-directed liposomes) were used in the present study for delivery of the antineoplastic agent daunomycin to the rat brain. A coupling procedure was introduced, which allows conjugation of a thiolated antibody to maleimide-grafted 85-nm liposomes sterically stabilized with PEG. Antibody was ther…
Magnetic force microscope (MFM) profiles of domain walls (DWs) in magnetite were measured using commercially available MFM tips. Opposite polarity profiles of a single DW segment were obtained by magnetizing the MFM tip in opposite directions perpendicular to the sample surface. During a measurement, the field of the…
The structure, Curie temperature, and magnetostriction of R1−xPrxFe1.85 and R0.7Pr0.3Fey (R=Dy0.7Tb0.3, x≤0.5, 1.55≤y≤1.85) alloys were investigated. The matrix of R1−xPrxFe1.85 alloys is the MgCu2-type cubic (Dy,Tb,Pr) Fe2 and the second phase was found to be (Dy,Tb,Pr) Fe3 when x≤0.3. When x>0.4, (Dy,Tb,Pr)Fe…
The surface of the solid structures obtained by natural sedimentation from aqueous solutions of monodisperse Si${\mathrm{O}}_{2}$ spheres is imaged by atomic force microscopy. The dynamic scaling method applied to these images leads to temporal and spatial logarithmic scalings of the surface width that is consistent w…
An approach is developed to describe the evolution of threading dislocation (TD) densities in lattice-mismatched epitaxial films. TD ensembles are treated in close correspondence to chemical species in chemical reaction kinetics. ‘‘Reaction rate’’ equations are derived for changing TD density with increasing film thic…
We elucidate the basic physics of shear thickening in colloids from the viewpoint of the dissipative interactions between close approaching particles. With just hard-sphere lubrication, Brownian spheres show a logarithmic thickening at high stresses. We use a model of interactions due to porous surfaces to show that t…
Profile calculations from ionograms using the Huang-Reinisch technique arrive at a set of boundary values and coefficients that describe the profile. From an ensemble of such sets an Average Representative Profile (ARP) is derived which is again expressed in terms of boundary values and coefficients.
Insulating host materials doped with trivalent cerium show quantum efficiencies of the Ce3+ emission ranging from zero to unity. Comparing optical and photoelectrical properties of a very efficient scintillator material (Lu2(SiO4)O:Ce) to those of cerium doped oxides with quenched emission, the radical differences for…
The dynamics of a single crack moving through a heterogeneous medium is studied in the quasi-static approximation. Equations of motion for the crack front are formulated and the resulting scaling behaviour analyzed. In a model scalar system and for mode III (tearing) cracks, the crack surface is found to be self affin…
Atomic-scale calculations for the dynamics of the 90$^0$ partial glide dislocation in silicon are made using the effective-medium tight-binding theory. Kink formation and migration energies for the reconstructed partial dislocation are compared with experimental results for the mobility of this dislocation. The result…
The x-ray diffraction properties of highly oriented pyrolytic graphite (HOPG) were studied for x-ray energies ranging from 4 to 60 keV. In particular, the secondary extinction thickness was determined by recording the peak and integrated reflectivity as a function of depth below the surface. The results showed that fo…
We study a diblock AB copolymer brush in good solvent using the self-consistent field approximation. The copolymer chains of the brush are end grafted to a planar surface always by the same type of monomers. Depending on the Flory–Huggins interaction parameter χAB, we found two different regimes. If χAB≳0 a demixing t…