Materials Literature
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Large scale molecular dynamics (MD) simulations are used to simulate the plastic deformation of a nanocrystalline model Ni sample with an average grain size of 5 nm containing 125 grains at 800 K up to 4.0% plastic strain. For the first time in MD simulation, emerging shear planes involving several grain boundaries ha…
Single-walled carbon nanotubes (SWNTs) can react with potassium hydroxide through a simple solid-phase mechanochemical reaction at room temperature to produce single-walled carbon nanotubols (SWNTols) − multiple hydroxyl groups direct-modified SWNTs. The SWNTols are highly soluble in water and can be readily self-asse…
The literature proposes some thermal models needed for the electrothermal simulation of power electronic systems. This paper gives a useful analysis about the choice of the thermal model circuit networks, equivalent to a discretisation of the heat equation by the finite difference method and the finite element method…
HT-poly(3-hexylthiophenes) (HT-PHT) with H/Br end group composition were prepared via a modified McCullough method using anhydrous ZnCl 2 for the transmetalation step. These bromine-terminated HT-PHT can be end group modified at the ω end through a cross-coupling reaction with thienylzinc compounds bearing a THP-prote…
An advanced type thermoelectric module based on SiGe has been developed to apply it to gasoline engine vehicles. The size of the module is 20 mm square and 9.2 mm in height. The module consists of 8 couples of p- and n-type Si-Ge elements. The elements are electrically connected in series using Mo electrodes by brazin…
Being motivated by recent experimental studies, we investigate magnetic structures of the Mo pyrochlores $A_2$Mo$_2$O$_7$ ($A$= Y, Nd, and Gd) and their impact on the electronic properties. The latter are closely related with the behavior of twelve Mo($t_{2g}$) bands, located near the Fermi level and well separated fr…
We report on experiments in which a spin-polarized current is injected from a $GaMnAs$ ferromagnetic electrode into a $GaAs$ quantum well through an AlAs barrier. The resulting spin polarization in the GaAs well is detected by measuring how the current, tunneling to a second $GaMnAs$ ferromagnetic electrode, depends o…
We present the analytical study of stability loss and evolution of domain structure in inhomogeneous ferroelectric (ferroelastic) samples for exactly solvable models. The model assumes a short-circuited ferroelectric capacitor (free ferroelastic) with two regions with slightly different critical temperatures ${T}_{c1}…
We study the Landau-Zener-Stueckelberg (LZS) effect for a two-level system with a time-dependent nonlinear bias field (the sweep function) $W(t).$ Our main concern is to investigate the influence of the nonlinearity of $W(t)$ on the probability P to remain in the initial state. The dimensionless quantity $\ensuremath{…
We report on the characterization of torsional oscillators which use multiwalled carbon nanotubes as the spring elements. Through atomic-force-microscope force-distance measurements we are able to apply torsional strains to the nanotubes and measure their torsional spring constants, and estimate their effective shear…
Electronic structure calculations performed on very large supercells have shown that the local charge excesses in metallic alloys are related through simple linear relations to the local electrostatic field resulting from distribution of charges in the whole crystal. By including local external fields in the single si…
We solve a long-standing problem---determining structural information for disordered materials from their diffraction spectra---for the special case of planar disorder in close-packed structures (CPS's). Our solution offers the most complete possible statistical description of the disorder and, from it, we find the mi…
Recently Smit et al. [Nature 419, 906 (2002)] have reported that a single hydrogen molecule can form a bridge between Pt electrodes, which has a conductance close to one quantum unit, carried by a single channel. We present density functional calculations explaining these experimental findings. We show that the symmet…
We report resistivity measurements on epitaxial ${\mathrm{Fe}}_{3}{\mathrm{O}}_{4}$ films between 3 and 100 nm thickness grown on polished MgO substrates. The resistivity of the films is larger than the bulk resistivity, and is increasing with decreasing film thickness. This can be explained by the significant decreas…
The approach of the elastic continuum limit in small amorphous bodies formed by weakly polydisperse Lennard-Jones beads is investigated in a systematic finite-size study. We show that classical continuum elasticity breaks down when the wavelength of the solicitation is smaller than a characteristic length of approxima…
In this Account, we summarize some of our recent studies on the materials properties of the carbon nanotubes (CNTs). The focus is on single-wall carbon nanotubes (SWNTs). We describe experiments on synthesis of SWNTs with controlled molecular structures and assembly of functional macroscopic structures. In addition, w…
Identification of therapeutic strategies to prevent or cure diseases associated with amyloid fibril deposition in tissue (Alzheimer's disease, spongiform encephalopathies, etc.) requires a rational understanding of the driving forces involved in the formation of these organized assemblies rich in beta-sheet structure.…
Fundamentals of Ceramics presents readers with an exceptionally clear and comprehensive introduction to ceramic science. This Second Edition updates problems and adds more worked examples, as well as adding new chapter sections on Computational Materials Science and Case Studies. The Computational Materials Science se…
The ytxM gene product from Bacillus subtilis has been cloned, expressed in Escherichia coli, purified and crystallized by the hanging-drop vapour-diffusion method using PEG 3350 as the precipitant. Multiple-wavelength anomalous dispersive X-ray data have been collected to 2.0 A resolution on a single selenomethionine-…
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