Materials Literature
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The nucleation of diamond on Si is enhanced for negative substrate bias of 200–250 V. We show that the ion flux is the critical factor causing the enhanced nucleation. The ion energy distribution has a maximum at about 80 eV, the optimum to subplant C ions into a-C. We propose that subplantation causes deposition of n…
Within a spectral function $A(\mathbf{k},\ensuremath{\omega})$ interpretation of angle-resolved photoemission (ARPES), the intensity obeys the sum rule $\ensuremath{\int}d\ensuremath{\omega}f\left(\ensuremath{\omega}\right)A(\mathbf{k},\ensuremath{\omega})\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}n\left(\math…
The aim of the present investigation was to elucidate the role of structural relaxations in determining the relative stability of ${L1}_{2}$, ${D0}_{22}$, and ${D0}_{23}$ structures in ${\mathrm{Al}}_{3}\mathrm{Ti}$ and ${\mathrm{Al}}_{3}\mathrm{Zr}$. This task was accomplished by a unique combination of total-energy…
This work determines the pressure–velocity relation of bubble flow in polygonal capillaries. The liquid pressure drop needed to drive a long bubble at a given velocity U is solved by an integral method. In this method, the pressure drop is shown to balance the drag of the bubble, which is determined by the films at th…
Kidney bean purple acid phosphatase (KBPAP) is an Fe(III)-Zn(II) metalloenzyme resembling the mammalian Fe(III)-Fe(II) purple acid phosphatases. The structure of the homodimeric 111-kilodalton KBPAP was determined at a resolution of 2.9 angstroms. The enzyme contains two domains in each subunit. The active site is loc…
A highly ordered metal nanohole array (platinum and gold) was fabricated by a two-step replication of the honeycomb structure of anodic porous alumina. Preparation of the negative porous structure of porous alumina followed by the formation of the positive structure with metal resulted in a honeycomb metallic structur…
The Gaussian overlap model for anisotropic particles is generalized to include ellipsoids which are not axially symmetric. Explicit analytical expressions are given for the potential and for the torques necessary in molecular dynamics (MD) simulations. Employing this model, we have obtained MD results for several syst…
PbTe nanocrystals have been grown in doped glasses. By choosing the appropriate glass matrix and controlling the heat treatment temperatures and times, the quantum confined energy gaps of the PbTe dots can be changed in the wavelength range 1.1 – 2.0 µm. These glasses are potential materials for applications in optica…
The photoelectron spectra of FeO− and FeO−2 are obtained at 3.49 eV photon energy. Transitions to the ground state (5Δ) and three low-lying excited states (5Σ+, 3Σ+, and 3Δ) of FeO are observed. The two low-spin excited states found at 6770 and 8310 cm−1 above the ground state, respectively, have not been observed bef…
Abstract A method for determining the stability of general static capillary surfaces is illustrated by application to the liquid bridge. Axisymmetric bridges with fixed contact lines under gravity are parametrized by three quantities: bridge length L, bridge volume V, and Bond number B. The method delivers: (i) stabil…
Electronic structure calculations for compressed molecular hydrogen are performed to provide more insight into the diversity of phenomena recently observed experimentally. We perform full-potential LAPW calculations and analyze them in terms of a molecular tight-binding model. We show that $σ_g$ and $σ_u$ bands overla…
Abstract The migration of phthalate esters which are commonly employed for plasticizing poly(vinyl chloride) (PVC) is a significant problem in PVC‐based medical devices as well as in packaging used for food stuffs and pharmaceuticals. Medical‐grade PVC resin was treated with sodium azide in dimethylformamide (DMF) to…
Abstract Isothermal glassy‐state properties of cured thermosetting materials pass through maximum and minimum values with increasing fractional chemical conversion. In this work, a diglycidyl ether of bisphenol A (a diepoxide) and trimethylene glycol di‐ p ‐aminobenzoate (a tetrafunctional aromatic diamine) system was…
Abstract Different levels of β‐form crystallinity in isotactic polypropylene (iPP) were produced by blending a series of additives. X‐ray diffraction analyses showed that the Kx values varied from 0 to 0.05. Indigosol Brown IRRD, Indigosol Red Violet IRH, Cibantine Orange HR, Indigosol Pink IR, Cibantine Blue 2B, Indi…
The theory of statistical-mechanical lattice-gas modeling of adsorption is reviewed and shown to be applicable to a range of electrochemical problems dominated by effective, lateral adsorbate--adsorbate interactions. A general strategy for applying the method to specific systems is outlined, which includes microscopic…
In this paper, by introducing a factor f to denote the contraction effect of perovskite crystals along the trigonal axis in the cubic-to-trigonal phase transition, the expressions for calculating the zero-field splitting D, the first excited-state splitting Delta ( 2 E) and the anisotropy of the EPR g-factor (characte…
The recent measurements of the magnetic properties of Pd 2 TiIn and Pd 2 TiAl Heusler-type alloys motivated a study of the electronic structure of such compounds. The electronic structures of the ordered Pd 2 TiX (X=Al, Ga, In) Heusler-type alloys are calculated by the self-consistent spin-polarized TB LMTO method. Th…
The effect of substrate bias voltage was investigated for bias-enhanced diamond nucleation pretreatments of diamond thin films in a microwave plasma chemical vapor deposition reactor. A critical bias voltage of approximately −200 V was observed for nucleation density enhancement from ∼104 cm−2 to ∼1010 cm−2. Furthermo…
Detailed neutron powder diffraction data are presented which show that the phase transition (P6 3 /mmc-C2/m) at 754 K in sodium carbonate, Na 2 CO 3 , is a second-order proper ferroelastic m=2 transition. The order parameter is characterized by the shear strain epsilon 5 , with a coupled rotation of the carbonate grou…
We have studied experimentally phase separation in binary mixtures comprised of nearly monodisperse emulsion droplets of two different sizes. For three values of \ensuremath{\xi}, where $\ensuremath{\xi}<1$ is the size ratio, we have determined phase diagrams and find that segregation occurs for $\ensuremath{\xi}\e…