Materials Literature
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We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-temperature density-functional theory of the one-electron states, (b) exact energy minimization and hence calculation of the exact Hellmann-Feynm…
Field emission from two special kinds of emitters has been studied in detail: intentionally introduced particles of controlled geometry, and sites produced by intentional mechanical damage to the cathode surface. We found that the size of particles seems to play no role in their threshold field but their shapes are a…
A simple but generalized, ballistic collisional based, model of densification and stress evolution in ion-assisted deposition of thin films is developed. It is proposed that densification of voided films occurs by forward atomic recoil generation and, consequentially, modification of tensile stresses. The total recoil…
Because they are cheap and available in very large quantities as a waste material from palm oil mills, oil palm empty fruit bunches can be seen as a potentially valuable starting material for manufacturing solid carbon products, which are widely used in the field of electrical engineering. In this context it was there…
A new microscopy, called Orientation Imaging Microscopy, is described. Imaging results from precise measurements of local lattice orientation rapidly obtained by Backscattered Kikuchi Diffraction. The hardware configuration of the microscope is described and a description of image formation presented. Applications to…
Dynamic interconnect holograms are designed by the use of a simulated annealing algorithm and written to a 128 × 128 pixel ferroelectric spatial light modulator that is used in a binary-phase mode. Dynamic holograms are used to implement a 2 × 2 crossbar with single-mode fiber inputs and outputs, which function with a…
We have isolated overlapping mouse cDNAs encoding a collagenous polypeptide that we have designated alpha 1(XVIII) collagen. Nucleotide sequence analysis shows that alpha 1(XVIII) collagen contains 10 triple-helical domains separated and flanked by non-triple-helical regions. Within the non-triple-helical regions, the…
We present a new simulation scheme for structural phase transitions via first-principles molecular dynamics. The method is obtained by combining the Car-Parrinello method for ab initio simulation with the Parrinello-Rahman method to account for variable cell shape. We demonstrate the validity of our approach by simula…
The order-disorder phase transition in RbSCN connected with a head-tail reorientation of the linear SCN molecule is investigated by diffuse neutron scattering techniques. The experiment corroborates earlier findings in the isostructural compound KSCN showing that disordering occurs by the increased formation of antiph…
Polycrystalline diamond films, heavily implanted with boron ions (2×1016 cm−2, 60 keV) are found to exhibit, following annealing and graphite removal, electrical properties similar to those obtained for chemical vapor deposited diamond, heavily doped with B during film growth. Control experiments in which carbon ions…
We demonstrate the growth of c-axis oriented La-Sr-Co-O/Pb-La-Zr-Ti-O/La-Sr-Co-O ferroelectric capacitor heterostructures on a highly [001] oriented Pt film which was grown on a thermally oxidized Si (SiO2/Si) substrate. The [001] growth orientation in the Pt film is induced by depositing it on a thin c-axis oriented…
Abstract Long‐chain fatty acid cellulose esters (FACE) were synthesized by the acid chloride‐pyridine reaction with different degrees of substitution (DS). The hydrolyzed soybean oil was used as unsaturated fatty acids, its unsaturation degree, and composition were analyzed by 1 H and 13 C NMR methods. The chemical st…
Abstract A bubble of air, trapped at the centre of a spherical container of water on the surface of which spherical sound waves are maintained by transducers, may emit light, a phenomenon known as sonoluminescence. The surface of the bubble expands and contracts in obedience to the Rayleigh–Lamb equation, which requir…
Relaxation dynamics was investigated in the hydrogen-bonded glass former glycerol using incoherent neutron scattering and depolarized light scattering. The neutron data have a q-independent form in the intermediate \ensuremath{\beta}-relaxation regime implying factoratization of the q and \ensuremath{\omega} dependenc…
A novel organic nonlinear optical crystal, l-pyrrolidone-2-carboxylic acid (l-PCA), has been found to be phase matchable for second-harmonic generation (SHG) and sum-frequency mixing down to the UV range at room temperature. Tunable radiation down to 266 nm was obtained. The nonlinear coefficient d14 of l-PCA for the…
Computer simulations with polarizable anions are shown to reproduce the distinctive prepeak observed in diffraction studies of molton ${\mathrm{ZnCl}}_{2}$ and its mixtures with alkali chlorides. Two distinct origins for the peak in the microscopic structure of the melts are identified. The influence of alkali cation…
We have measured the effective magnetoelastic coupling coefficients, Beff, of polycrystalline NiFe/Ag/Si, NiFe/Cu/Si, and Ni/SiO2/Si films in situ as functions of magnetic layer thickness over the range from 1.5 to 50 nm using magneto-optic Kerr effect and applied static strain. The Beff’s agree well with bulk values…
Abstract This work deals with the chemical composition, physical structure, and thermal behavior of Antheraea assama silk fibers. The amino acid composition is characterized by the high content of alanine, glycine, and serine. Among the amino acid residues with polar side chains, aspartic acid, arginine, and tyrosine…
Abstract The problem of those discernible features of the intermediate range order (IRO) which can be attributed to the first sharp diffraction peak (FSDP) observed in the structure factor of many liquid and glassy materials is approached by treating this peak as a distinct feature. It is found, by considering the mea…
Infrared and Raman spectra of silica powders differ for fumed and precipitated samples. Site models of the surfaces of fumed silica are proposed. These models involve surfaces resembling faces {111} of β-cristobalite, edges and steps. The site SiOH···O b (H)SiO a H, located at steps between planes {111}, is related to…