Materials Literature
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Abstract High strain actuation can be obtained by engineering the crystallographic texture of piezoelectric ceramics. Single crystal piezoelectrics have significantly improved strain performance because crystal orientation can be controlled during use — their highly perfect lattice greatly simplifies the crystal orien…
We show how to adapt the quasi-Newton method to the electronic-structure calculations using systematic basis sets. Our implementation requires less iterations than the conjugate gradient method, while the computational cost per iteration is much lower. The memory usage is also quite modest, thanks to the efficient rep…
Copper(II) selenate pentahydrate is isotypic with its sulfate analogue. All atoms are on general positions except Cu1 and Cu2 (both with site symmetry \overline 1). The Jahn–Teller distortion of the CuO2(H2O)4 `octahedra' is slightly less pronounced than in the sulfate analogue. The average Se—O bond length is 1.640 Å.
Accurate heat capacities of the single-molecule magnet [Mn(12)O(12)(O(2)CEt)(16)(H(2)O)(3)] were measured from 0.3 to 311 K by adiabatic calorimetry without an external magnetic field. Heat-capacity anomalies were separated by assuming several contributions including lattice vibration, magnetic anisotropy, and hyperfi…
We present a procedure for the characterization and the linearization of the photoresist response to UV exposure for application to the gray-scale fabrication of diffractive optical elements. A simple and reliable model is presented as part of the characterization procedure. Application to the fabrication of surface-r…
MOCVD has been applied to the first successful deposition of CeO2 〈100〉 oriented films on no-rolled Hastelloy C276. The presently found columnar grain morphologies have been related to the zone model proposed by Mochvan and Demchishin for physical vapor deposition processes. The fiber texture strongly depends on the d…
The low-frequency dynamics of the globular protein β-lactoglobulin has been investigated by inelastic neutron scattering, on both dry and D 2 O-hydrated samples. Both the dynamic structure factor and the density of states display an excess of vibrational modes with respect to the Debye level, with such an excess being…
A binary diffractive optical element, acting as a polarizing beam splitter, is proposed and analyzed. It behaves like a transmissive blazed grating, working on the first or the second diffraction order, depending on the polarization state of the incident radiation. The grating-phase profile required for both polarizat…
Computer modeling of solvent-immersed polymeric brushes with anisotropic attraction and polyelectrolyte brushes shows extended microphase coexistence; i.e., a collapsed microphase coexists with a swollen outer layer in a wide range of temperatures. We present an analytical theory that serves as a basis for understandi…
Non-equilibrium molecular dynamics (NEMD) simulations play a major role in characterizing the rheological properties of fluids undergoing shear flow. However, all previous studies of flows in molecular fluids either use an ‘atomic’ thermostat which makes incorrect assumptions concerning the streaming velocity of atoms…
The structure of L-ribulose-5-phosphate 4-epimerase from E. coli has been solved to 2.4 A resolution using X-ray diffraction data. The structure is homo-tetrameric and displays C(4) symmetry. Each subunit has a single domain comprised of a central beta-sheet flanked on either side by layers of alpha-helices. The activ…
Two-dimensional binary diffraction gratings can be used in wearable display applications as exit-pupil expanders (EPEs) (or numerical-aperture expanders) to increase the size of the display exit pupil. In retinal scanning displays the EPE is placed at an intermediate image plane between the scanners and the display ex…
A simple chemical method to assemble peptide nanotubes and simultaneously arrange them into macroscopic bundles is reported. The peptide nanotubes, self-assemblies of the bolaamphiphilic peptide monomer bis( N -α-amido-glycylglycine)-1,7-heptane dicarboxylate, appeared in acidic solution within 1 week. In the presence…
The objective of this research was to prepare colorless photosensitive polyimides for optical applications. In the first approach to these materials two new photosensitive end-capping agents, i.e., 6-(4-aminophenoxy)hexyl methacrylate and di[2-(methacryloyloxyethyl)] 5-aminoisophthalate, for polyimides were prepared.…
A facile concept to prepare nano-objects based on self-organizing polymeric supramolecules (also called supramolecular block copolymers) is demonstrated using one particular shape, i.e., nanorods or nanofibers. Cylindrical aggregates consisting of a polystyrene (PS) core and a thin corona of poly(4-vinylpyridine) (P4V…
Sorption mechanisms of 1,3- and 1,4-dinitrobenzene, 1,3,5-trinitrobenzene (TNB), dinitro-o-creasol, and 6-sec-butyl-2,4-dinitrophenol (DINOSEB) on smectite were investigated using FTIR spectroscopy and HPLC methods. A quantitative method was developed that established a direct link between the HPLC and the FTIR data.…
Synthesis of mixed monolayer-protected Au clusters (MPCs) from unsymmetrical disulfides (HO(CH 2 ) 11 SS(CH 2 ) 11 CH 3 ) yields clusters with a 1:1 composition of HO(CH 2 ) 11 S− and CH 3 (CH 2 ) 11 S− thiolates, whereas products from reaction of a 1:1 mixture of thiols (HO(CH 2 ) 11 SH and CH 3 (CH 2 ) 11 SH) contai…
Reactions of the LCr(III) unit with an in situ prepared M(PyA)(3)(n-) ion, where L represents 1,4,7-trimethyl-1,4,7-triazacyclononane and PyA(-) is the monoanion of pyridine-2-aldoxime, yield heterodinuclear complexes of general formula [LCr(III)(PyA)(3)M](2+/3+) as perchlorate salts, where M = Cr(II) (1), Mn(II) (2),…
Dielectric relaxation measurements on water mixtures of propylene glycol across the entire concentration range were carried out using time domain reflectometry at 25°C over the frequency range from 10 MHz to 4 GHz. For all the mixtures, only one dielectric loss peak was observed in this frequency range. The relaxation…
The order−disorder transition in a melt of asymmetric micelle-forming diblock copolymers is studied analytically in the strong segregation limit. In contrast to previous calculations by Semenov and by self-consistent mean-field theory, both the translational entropy of the micelles in a disordered micelle regime and t…