Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
We present ab-initio calculations for the in plane conductivity of Co/Cu multilayer slabs. The electronic structure of the multilayer slabs is calculated by means of density functional theory within a screened KKR scheme. Transport properties are described using the Boltzmann equation in relaxation time approximation.…
We present a new density-matrix functional within the recently introduced framework for tensor-product expansions of the two-particle density matrix. It performs well both for the homogeneous electron gas as well as atoms. For the homogeneous electron gas, it performs significantly better than all previous density-mat…
Complementary theoretical modeling methods are presented for the classical and quantum Heisenberg model to explain the magnetic properties of nanometer-sized magnetic molecules. Excellent quantitative agreement is achieved between our experimental data down to 0.1 K and for fields up to 60 Tesla and our theoretical re…
Extracting large field-emission currents from individual single-walled carbon nanotubes degrades their current–voltage behavior and changes the nanotube structure. Field-emission microscopy observations and field-emission current–voltage measurements revealed behavior characteristic of local heating, followed by therm…
We have developed a formulation of density functional perturbation theory for the calculation of vibrational frequencies in molecules and solids, which uses numerical atomic orbitals as a basis set for the electronic states. The (harmonic) dynamical matrix is extracted directly from the first order change in the densi…
Properties of (10, 10) single-walled carbon nanotubes under uniaxial pressure are investigated by means of pressure-controlled molecular dynamics simulations using an order- N tight-binding method. We use an extended Andersen method in order to control pressure of system. This scheme allows us to investigate the press…
Polymer layered-silicate (clay) nanocomposites have the unique combination of reduced flammability and improved physical properties. These results led to a NIST-industrial consortium which investigated the flammability properties of these nanocomposites further. A series of thermoplastic polymer nanocomposites were st…
This review paper surveys two decades of research in which functional groups on polymers have been utilized to form more fire-resistant structures under fire-exposure conditions. Examples are polyaramides which convert to polybenzoxazoles, nitrile polymers with latent catalysts for triazine ring formation, styrylpyrid…
The inhibitory properties of (methylenecyclopropyl)formyl-CoA (MCPF-CoA), a metabolite derived from a natural amino acid, (methylenecyclopropyl)glycine, against bovine liver enoyl-CoA hydratase (ECH) were characterized. We have previously demonstrated that MCPF-CoA specifically targets ECHs, which catalyze the reversi…
We have observed a photoinduced phase transition (PIPT) in a spin-crossover Fe (II) complex Nafion–[Fe(Htrz) 3 ] film (Nafion is an ion exchange polymer film, and Htrz=1, 2, 4-1H-triazole) from a low-spin (LS) state ( S =0) to a high-spin (HS) state ( S =2) below 150 K. The phototransferred HS state relaxes to the ini…
This paper describes the use of Cone Calorimetry to study fire retardant (FR) coatings based on an industry standard (ASTM E-84) test condition. Several solvent-based and water-based ASTM E-84 Class A FR coatings were tested using the Cone Calorimeter at a radiant heat flux of 50 kW/m 2 . The peak heat release rate (P…
The La0.67Sr0.33MnO3/BaFe11.3(ZnSn)0.7O19 (LSMO/BaM) composites have been prepared by cosintering the LSMO and the BaM powders. The microstructural, magnetic, and magnetoresistive (MR) properties of those systems were systematically studied. Due to the magnetic coupling between the LSMO (a soft magnet metal) and BaM (…
The enhanced positive magnetoresistance effect has been observed in GaAs containing nanoscale magnetic clusters. The ferromagnetic metallic clusters were embedded into GaAs by Mn ion implantation and rapid thermal annealing. Positive magnetoresistance in these structures has been observed and attributed to the enhance…
We conducted a series of experiments examining the effect of polymer stability on FtsZ localization dynamics in Bacillus subtilis. A loss-of-function mutation in ezrA, a putative polymer-destabilizing factor, suppresses the defects in FtsZ polymer stability associated with minCD overexpression. In addition, a mutation…
Chemically grafted tris(trimethylsiloxy)silyl (sub)monolayers [tris(TMS)] were prepared on the native oxide of silicon by vapor-phase reaction of the corresponding monochlorosilane at elevated temperatures. By exploiting the inherently sluggish kinetics of the silanization reaction, the grafting density of the tris(TM…
We have carried out high temperature x-ray diffraction studies on (Pb1−xBax)ZrO3(PBZ) to correlate the large thermal hysteresis (∼100 °C for x=0.05) and irreversibility (for x=0.10) of the antiferroelectric (AFE)–ferroelectric (FE) phase transition observed in dielectric measurements with structural changes. It is sho…
Magnetization measurements and neutron diffraction experiments were carried out on single crystals of Ba 2 (Zn 1- x Mg x ) 2 Fe 12 O 22 , where x is the Mg concentration ranging from x =0 to 1.0. The Fe ions present in the octahedral sites have a tendency to decrease with increasing x . The configuration of Fe magneti…
We investigated a series of mono-niobium carbide clusters, NbCn− (n=2–7), using anion photoelectron spectroscopy. Vibrationally resolved photoelectron spectra were observed for NbC2− and NbC3−, which were both shown to have cyclic C2v structures. Two isomers were observed for NbC4− and NbC5−. The weak and low electron…
A telechelic poly(epsilon-caprolactone) having a degree of polymerization (DP) around 25 and two 4-aminobenzoyl chain ends was used as a macroinitiator for the ring-opening polymerization of various alpha-amino acid N-carboxyanhydrides (NCAs). Glycine-NCA, L-alanine-NCA, L-phenylalanine-NCA, and gamma-benzyl-L-glutama…
Fire is a world-wide problem which claims lives and causes significant loss of property. Some of the problems are discussed and the solution delineated. This peer-reviewed volume is designed to be as the state-of-the-art. This chapter provides a perspective for current work.