Materials Literature
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This chapter discusses recent progress in the investigation and use of (13)C, (15)N, and (19)F nuclear magnetic resonance (NMR) chemical shifts and chemical shift tensors in proteins and model systems primarily using quantum chemical (ab initio Hartree-Fock and density functional theory) techniques. Correlations betwe…
The operation of a Peltier cooler can be temporarily enhanced by utilizing the transient response of a current pulse. The performance of such a device, using (Bi,Sb)2Te3-based thermoelectric elements, was examined from −70 to 55 °C. We establish both theoretically and experimentally the essential parameters that descr…
High efficiency thermoelectric conversion is achieved by using materials with a maximum figure of merit Z=S2σ/k, where S is the Seebeck coefficient, σ and k, the electrical and thermal conductivities, respectively. High quality homogeneous thermoelectric materials, based on PbTe crystals, usually display an elevated v…
▪ Abstract Multiferroic magnetoelectrics are materials that are both ferromagnetic and ferroelectric in the same phase. As a result, they have a spontaneous magnetization that can be switched by an applied magnetic field and a spontaneous polarization that can be switched by an applied electric field. In this paper we…
La 0.67 Ca 0.33 Mn 1−x Cu x O 3 (x=0 and 0.15) epitaxial thin films were grown on the (100) LaAlO3 substrates, and the temperature dependence of their resistivity was measured in magnetic fields up to 12 T by a four-probe technique. We found that the competition between the ferromagnetic metallic (FM) and paramagnetic…
Density functional theory has been used to study the interaction of molecular and atomic hydrogen with (5,5) and (6,6) single-wall carbon nanotubes. Static calculations allowing for different degrees of structural relaxation are performed, in addition to dynamical simulations. Molecular physisorption inside and outsid…
▪ Abstract Polymers offer a wide spectrum of possibilities for materials applications, in part because of the chemical complexity and variability of the constituent molecules, and in part because they can be blended together with other organic as well as inorganic components. The majority of applications of polymeric…
Heating therapies are increasingly used in cardiology, dermatology, gynecology, neurosurgery, oncology, ophthalmology, orthopedics, and urology, among other medical specialties. This widespread use of heating is driven primarily by the availability of new technology, not by a detailed understanding of the biothermomec…
Cold-adapted, or psychrophilic, organisms are able to thrive at low temperatures in permanently cold environments, which in fact characterize the greatest proportion of our planet. Psychrophiles include both prokaryotic and eukaryotic organisms and thus represent a significant proportion of the living world. These org…
Cuprous oxide quantum particles as small as 2 nm (comparable to the Bohr exciton radius) were synthesized using an electrochemical route. Quantum confinement effects are evident from a blueshift in the optical absorption. The optical absorption spectra of Cu2O nanoparticles of different sizes are discussed. Structural…
▪ Abstract We review the recent progress in our understanding of the mechanical and electrical properties of carbon nanotubes, emphasizing the theoretical aspects. Nanotubes are the strongest materials known, but the ultimate limits of their strength have yet to be reached experimentally. Modeling of nanotube-reinforc…
The polarization and strain behavior of Ba(Ti1−xZrx)O3 (x=0–0.3) ceramics are studied. The unipolar strain levels of ∼0.18% at 40 kV/cm and of ∼0.25% at ∼120 kV/cm with small hysteresis were obtained for the ceramics with 0.03⩽x⩽0.08. The remnant polarization is ∼13–18 μC/cm2 for 0.03⩽x⩽0.08 and below 2 μC/cm2 for 0.1…
▪ Abstract An overview of the phase-field method for modeling solidification is presented, together with several example results. Using a phase-field variable and a corresponding governing equation to describe the state (solid or liquid) in a material as a function of position and time, the diffusion equations for hea…
▪ Abstract The phase-field method has recently emerged as a powerful computational approach to modeling and predicting mesoscale morphological and microstructure evolution in materials. It describes a microstructure using a set of conserved and nonconserved field variables that are continuous across the interfacial re…
Poly(diethyl trimethylene-1,1-dicarboxylate) oligomers with an average degree of polymerization (DP) of 20 and a polydispersity of 1.13 have been isothermally crystallized at 30 °C from benzene and also crystallized from the melt ( T m = 176 °C). The crystals were investigated using electron microscopy (imaging and di…
Changes in the hydroxyl surfaces of kaolinite have been studied through mechanochemical activation followed by intercalation with potassium acetate using a combination of X-ray diffraction and diffuse reflectance Fourier transform infrared (DRIFT) spectroscopy. X-ray diffraction shows that in the absence of air the in…
The competition between gelation and isotropic−nematic (I−N) phase separation in dispersions of moderately attractive sterically stabilized boehmite (AlOOH) rods is studied. Two different scenarios are observed. In one system I−N phase separation proceeds by slow sedimentation (syneresis) of a gel resulting in a weakl…
The first two series of Co-NO bond dissociation enthalpies in benzonitrile solution were determined for 12 cobalt(II) nitrosyl porphyrins and for 12 cobalt(III) nitrosyl porphyrins by titration calorimetry with suitable thermodynamic cycles. The results display that the energy scales of the heterolytic Co(III)-NO bond…
The new monomer 1,2- O -isopropylidene-3-benzyloxy-pentofuranose-4,4‘-cyclic carbonate (IPPTC) was prepared. IPPTC has both a ketal-protected diol and a benzyl ether-protected hydroxyl. Thus, these two sets of hydroxyl groups can be independently deprotected to give IPPTC repeat units with one, two, or three free hydr…
An investigation of the kinetics of tethering of amine functional-ended polystyrene from good solvent to the surface of a solid substrate showed three distinct regimes of kinetics rather than the two predicted by theory. The first regime was fast and appeared to be controlled by diffusion through the solvent, as predi…