Materials Literature
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The atomic structure of a precursor-derived amorphous ceramic with the composition ${\mathrm{Si}}_{37}{\mathrm{C}}_{32}{\mathrm{N}}_{31}$ and a density of $2.4 \mathrm{g}/{\mathrm{cm}}^{3}$ was modeled using a density-functional-based molecular dynamics simulation. Three different model structures were generated, and…
In this communication we report the synthesis, structure and preliminary characterisation of Bi2LnO4Cu2Se2 (Ln = Y, Gd, Sm, Nd, La) phases; these materials are members of a new family of layered oxychalcogenides.
Abstract This paper describes the development of a comprehensive mathematical and numerical model for simulating the performance of automotive three-way catalytic converters, which are employed to reduce engine exhaust emissions. The model simulates the emission system behavior by using an exhaust system heat conserva…
The recently discovered clathrate ${\mathrm{Ba}}_{6}{\mathrm{Ge}}_{25}$ undergoes a two-step first-order phase transition at the temperatures ${T}_{S1,S2}\ensuremath{\approx}215,$ 180 K. The first-order nature of the transition is evidenced from the hysteretical temperature dependences of the electrical resistivity $\…
ADVERTISEMENT RETURN TO ISSUEPREVNoteNEXTStereoselectivity in the Formation of Crystalline Inclusion Complexes of Poly(3-hydroxybutyrate)s with CyclodextrinsXintao Shuai, Francis E. Porbeni, Min Wei, Todd Bullions, and Alan E. TonelliView Author Information Fiber and Polymer Science Program, College of Textiles, North…
Abstract We present experimental results on the instrumented Vickers micro-indentation and compression of solutionized Ni-rich NiTi single crystals. The tests are conducted at room temperature where the solutionized Ti-50.9 at percent Ni material is 18 degrees above Af and the solutionized Ti-51.5 at percent Ni materi…
We show that metastable rocksalt CdSe nanocrystals can persist at ambient pressure depending on the physical size of the particle. The size-dependence of the hysteresis loop was measured for the solid−solid transition in CdSe nanocrystals, between four- and six-coordinate structures. A systematic shift of the entire h…
The reduction of particulate emissions from diesel engines is of major interest, considering the strict emission standards posed by the legislation worldwide. Although the technology of particulate filters has been under development for more than 20 years, considerable technological challenges remain regarding effecti…
Abstract This paper is concerned with the mechanical behavior of a Cu-Al-Be Shape Memory Alloy (SMA). A large experimental database, made of tension-internal pressure tests and biaxial compressive tests, is reported. Particular attention is paid to the behavior of the material under multiaxial proportional and nonprop…
Hydrogen bond-mediated self-assembly is a powerful strategy for creating nanoscale structures. However, little is known about the fidelity of assembly processes that must occur when similar and potentially competing hydrogen-bonding motifs are present. Furthermore, there is a continuing need for new modules and strate…
A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si and Ge emerges from an analysis based on all-electron, self-consistent, GW calculations. The deep-core electrons are shown to play a key role via the exchange diagram --if this effect is neglected, Si becomes a semimetal. Contrary to current…
We formulated a technique which combines the first-principles, micromagnetic and microstructural calculations and allows us to study the nature of hysteretic phenomena in hard magnets. Two distinct sources of coercivity in polytwinned CoPt type magnets, domain wall pinning at antiphase boundaries and splitting at twin…
The structural and electronic properties of interfaces between beta-SiC and III-V semiconductors are studied by first-principles calculations. Favorable bonding configurations are found to form between Si-V and C-III (model A) for BN, AlN, AlP, AlAs, GaN, GaP, GaAs, InN, InP, InAs and InSb, and Si-III and C-V (model B…
The temperature T and magnetic-field H dependences of anisotropic in-plane ${\ensuremath{\rho}}_{\mathrm{ab}}$ and out-of-plane ${\ensuremath{\rho}}_{c}$ resistivities are investigated in single crystals of the bilayer manganite ${\mathrm{La}}_{1.2}{\mathrm{Sr}}_{1.8}{\mathrm{Mn}}_{2}{\mathrm{O}}_{7}.$ Below the Curie…
We suggest a workable approach for the description of multiscale magnetization reversal phenomena in nanoscale magnets and apply it to CoPt-type alloys. We show that their hysteretic properties are governed by two effects originating at different length scales: a peculiar splitting of domain walls and their strong pin…
Structural compliance is the ability of a crystal structure to accommodate variations in local atomic bond-lengths without incurring large strain energies. We show that the structural compliance of cuprates is relatively small, so that short, highly doped, Cu-O-Cu bonds in stripes are subject to a tensile misfit strai…
We report a new technique of scanning capacitance microscopy at microwave frequencies. A near field scanning microwave microscope probe is kept at a constant height of about 1nm above the samplewith the help of Scanning Tunneling Microscope (STM) feedback. The microwaves are incident onto the sample through a coaxial…
The definiteness of bulk electrostatic potentials in solids under periodic boundary conditions defined in an invariant manner has been proved in the general case of triclinic symmetry. Some principal consequences following from the universal potential correction arising are discussed briefly.
Just after formation, optical fibres are wetted stably with acrylate at capillary numbers routinely exceeding 1000. It is hypothesized that this is possible because of dissolution of air into the liquid coating. A lubrication/boundary integral analysis that includes gas diffusion and solubility is developed. It is app…
Adsorption characteristics of NO x were studied with granular activated carbon (GAC) impregnated with potassium hydroxide (KOH). To confirm the selective adsorptivity of KOH-impregnated activated carbon (K-IAC) to NO x in a fixed-bed adsorption column, temperature of 303–403K, linear velocity of 10–32 cm/sec, and effe…