Grain boundary segregation diagrams of α-iron

Based on thermodynamic analysis of interfacial segregation, the segregation enthalpy H ^o of a solute I in a given matrix was found to depend linearly on two mutually independent terms reflecting the type of interface and the solid solubility limit X _infI ^sup* at temperature T and can be written as In this equation, the structural dependence of interfacial segregation is contained in H ^*() which corresponds to the extrapolated segregation enthalpy of a solute with unlimited solubility in the matrix. The product [Tln(X _infI ^sup* )] is essentially constant with temperature, and can therefore be obtained from data for maximum solid solubility, [Tln(X _infI ^sup* )]_max. The parameter v>0 represents the relationship between the activity a _infI ^sup* of a solute at the bulk solid solubility limit in a given matrix and X _infI ^sup* , a _infI ^sup* =(X _infI ^sup* ) ^v , and is characteristic for the matrix. Using recent experimental data for silicon, phosphorus, and carbon segregation at well-characterized grain boundaries in oriented bicrystals of -iron, the averaged value was determined. Values of H ^*() range from -8 kJ/mol (general grain boundaries) up to +8 kJ/mol (special grain boundaries). These values are discussed and used for a more precise and generalized construction of grain boundary segregation diagrams of -iron.     

Intrinsic anisotropy of the effective acoustic properties in metafluids made of two-dimensional cylinder arrays

Within a unified theoretical framework, we extract the omnidirectional effective acoustic parameters for the metafluid consisting of isotropic fluid cylinders embedded in an isotropic fluid background. Besides the analytical formulas for the effective parameters reported previously, i.e., the bulk modulus and the mass density perpendicular to the cylinders, we also derive a simple expression for the effective mass density parallel to the cylinders. As expected, these two effective mass densities are not identical and constitute an anisotropic density tensor. Such intrinsic anisotropy can be engineered much stronger than the pure in-plane anisotropy induced by either anisotropic lattices or anisotropic scatterers.     

Might Dark Matter and Energy be Intrinsic Properties of?Space?

It is shown that if a volume element V, of space is assumed to have intrinsic energy E, then basic principles of mechanics, thermodynamics and special relativity lead to the equation of state: E=pV, where p is the pressure. When this equation of state is incorporated in the Einstein equations it leads to the prediction that the orbital speed of matter circling a visible galaxy embedded in a spherical galactic halo should be relativistic, in disagreement with observations. However, it also leads directly to the interesting notion that the inertial mass of such a medium can be understood as a resistance to being compressed via Lorentz contraction. It is then shown that the mathematical structure of thermodynamics suggests another plausible definition of pressure if we allow for the possibility that the intrinsic energy of spacetime may not be described by the same work-energy relationship as ordinary matter. This additional possibility leads to the equation of state: E=−pV. While both of these equations of state describe forms of energy that are quite unlike ordinary energy, neither alone is able to account for observed rotational velocity curves of matter orbiting visible galaxies. Therefore, the possibility that space has two distinct components of energy is investigated. This results in a plausible, two-component equation of state in which the former equation of state is tentatively identified as the “dark matter” (DM) component, the latter as the “dark energy” (DE) component. The effective equation of state of space, accounting for the presence of both components, may then be written in the form: p=w ε, where ε is the total energy density, p the total pressure, and w represents the fractional excess of DM over DE (and therefore satisfies: −1≤w≤+1). Given the wide range of possible spacetime properties implied by this equation it appears to be a viable candidate for explaining observations presently attributed to the presence of both DM and DE. Specifically, the static, spherically symmetric solution of Einstein’s field equations, neglecting effects of ordinary matter, predicts the inverse r ² distribution of intrinsic space energy required to explain observed constant rotational velocity curves for matter in circular orbits around visible galaxies embedded within spherically symmetric galactic halos. The proposed equation of state is also capable of describing regions of space undergoing accelerated expansion as regions where DE is dominant (i.e., w<−1/3).     

Solution processed Al-doped ZnO and its performance in dye sensitized solar cells

Al-doped ZnO rods of nanometer to sub-micrometer size range have been successfully synthesized by a simple yet cost-effective solution processed sonochemical technique. Systematic XRD analysis established the solid solubility limit for Al in the ZnO lattice to be ca. 3 mol% at an elevated annealing temperature of 800 °C. The secondary ZnAl₂O₄ phase appears with increasing dopant concentrations and at lower annealing temperatures. Significant variations in the optoelectronic properties are induced by modifications in the surface defects of ZnO rods as a result of Al doping. As a consequence, an improved fill factor (FF) of 74.78 and 75.76% with a conversion efficiency (η) of 1.59 and 1.79% have been achieved for the fabricated DSSC devices made of the 800 °C annealed ZnO rods doped by 1 and 3 mol% Al, respectively.     

Integral representations of nonnegative solutions for parabolic equations and elliptic Martin boundaries

We consider nonnegative solutions of a parabolic equation in a cylinder D×(0,T), where D is a noncompact domain of a Riemannian manifold. Under the assumption [IU] (i.e., the associated heat kernel is intrinsically ultracontractive), we establish an integral representation theorem: any nonnegative solution is represented uniquely by an integral on (D×{0})∪(M_∂D×[0,T)), where M_∂D is the Martin boundary of D for the associated elliptic operator. We apply it in a unified way to several concrete examples to explicitly represent nonnegative solutions. We also show that [IU] implies the condition [SP] (i.e., the constant function 1 is a small perturbation of the elliptic operator on D).     

Design of polyethers,thioethers, and amines with pendent iron moieties

Soluble organoiron polyethers, thioethers, and amines were synthesized via nucleophilic aromatic substitution reactions. The synthesis of these classes of organometallic polymers involved either the reaction of cyclopentadienyliron complexes of dichloroarenes with various oxygen and sulfur dinucleophiles or the reaction of ether‐ or amine‐containing diiron complexes with dithiols. Polymerization reactions with the diiron complexes gave rise to organoiron polymers with alternating ether/thioether or amine/thioether bridges. Removal of the iron moieties from the backbone of these polymers allowed for the production of the corresponding organic materials. Furthermore, the organometallic polymers had much higher solubilities than their organic analogues. Thermogravimetric analysis of the organoiron polymers indicated that the polymers lost their metallic moieties at approximately 200 °C, whereas degradation of the polymer backbones occurred around 500 °C. © 2001 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 39: 1216–1231, 2001     

A Theoretical Study on Nonadiabatic Trapping Models of the Reaction NH H←→N H_2

ThehydrogenatomtransferreactionNH H-N H,isanimportantreactioninradicalreactionsandthegas-phrasethermatdecompositionofammonia.Therewereseveralstudiesonthisreactioninexperiment]andtheory='3.Inthispaper,wehaveemployedtheunifiedstatisticaltheory'(UST)tos...     

溶剂甲醇过程的溶剂选择

溶剂甲醇过程的溶剂选择至关重要。本文筛选了三乙二醇二甲醚（ＴＲＩＧＬＹＭＥ）作为溶剂,测定了甲醇在溶剂中的溶解度及活度系数。在本文的研究条件下,甲醇的溶解特性符合亨利定律,以实验数据回归,亨利系数Ｈ＝０．３７４３ｅｘｐ（－３０１３．６／Ｔ）ＭＰａｍ＾３ｍｏｌ＾－１。通过与其他溶剂比较后可以得出：按甲醇在不同溶剂中的溶解度大小排序：ＴＧＩＧＬＹＭＥ〉ＴＥＧＤＭＥ〉Ｓｑｕａｌａｎｅ〉ＶｅｓｔｏｗａｘＳ     

Solubility of oxygen in aqueous sodium carbonate solution at pressures up to 10 MPa

The solubilities of oxygen in 0.2, 0.5, 0.7 and 1.0 M Na₂CO₃ solution have been measured at 300.15 K and under pressures up to 10 MPa using a magnetically stirred autoclave and a direct sampling technique. The accuracy of apparatus was verified by duplicating the solubility of oxygen in pure water in literature. The experimental data of the solubility of oxygen in aqueous sodium carbonate solution were shown that the solubility of oxygen increases with increasing pressure and decreases with increasing salt concentration due to salting-out effect. The experimentally measured data were satisfactorily compared with the predicted values by our model based on non-primitive mean spherical approximation (MSA) and perturbation theory.