Origin of the different conductive behavior in pentavalent-ion-doped anatase and rutile TiO2_2

The electronic properties of pentavalent-ion (Nb$^{5+}$, Ta$^{5+}$, and I$^{5+}$) doped anatase and rutile TiO$_2$ are studied using spin-polarized GGA+\emph{U} calculations. Our calculated results indicate that these two phases of TiO$_2$ exhibit different conductive behavior upon doping. For doped anatase TiO$_2$, some up-spin-polarized Ti 3\emph{d} states lie near the conduction band bottom and cross the Fermi level, showing an \emph{n}-type half-metallic character. For doped rutile TiO$_2$, the Fermi level is pinned between two up-spin-polarized Ti 3\emph{d} gap states, showing an insulating character. These results can account well for the experimental different electronic transport properties in Nb (Ta)-doped anatase and rutile TiO$_2$.Comment: 4 pages, 5 figure

Xenon fluorides show potential as fluorinating agents

Xenon fluorides permit the controlled addition of fluorine across an olefinic double bond. They provide a series of fluorinating agents that permit ready separation from the product at a high purity. The reactions may be carried out in the vapor phase

A predictive standard model for heavy electron systems

We propose a predictive standard model for heavy electron systems based on a detailed phenomenological two-fluid description of existing experimental data. It leads to a new phase diagram that replaces the Doniach picture, describes the emergent anomalous scaling behavior of the heavy electron (Kondo) liquid measured below the lattice coherence temperature, T*, seen by many different experimental probes, that marks the onset of collective hybridization, and enables one to obtain important information on quantum criticality and the superconducting/antiferromagnetic states at low temperatures. Because T* is ~J^2\rho/2, the nearest neighbor RKKY interaction, a knowledge of the single-ion Kondo coupling, J, to the background conduction electron density of states, \rho, makes it possible to predict Kondo liquid behavior, and to estimate its maximum superconducting transition temperature in both existing and newly discovered heavy electron families.Comment: 4 pages, 2 figures, submitted to J. Phys.: Conf. Ser. for SCES 201

Anomalous low temperature state of CeOs4Sb12: Magnetic field and La-impurity study

Specific heat for single crystalline samples of Ce1-xLaxOs4Sb12 at zero-field and magnetic fields to 14 T is reported. Our results confirm enhanced value of the electronic specific heat coefficient in the paramagnetic state. They provide arguments for the intrinsic origin of the 1.1 K anomaly. This transition leads to opening of the gap at the Fermi surface. This low temperature state of CeOs4Sb12 is extremely sensitive to chemical impurities. 2% of La substituted for Ce suppresses the transition and reduces the electronic specific heat coefficient. The magnetic field response of the specific heat is also anomalous.Comment: 4 pages, 3 figure

Phase Diagram of a 2D Vertex Model

Phase diagram of a symmetric vertex model which allows 7 vertex configurations is obtained by use of the corner transfer matrix renormalization group (CTMRG), which is a variant of the density matrix renormalization group (DMRG). The critical indices of this model are identified as $\beta = 1/8$ and $\alpha = 0$.Comment: 2 pages, 5 figures, short not

Optimization of Dimples in Microchannel Heat Sink with Impinging Jets—Part B: the Influences of Dimple Height and Arrangement

The combination of a microchannel heat sink with impinging jets and dimples (MHSIJD) can effectively improve the flow and heat transfer performance on the cooling surface of electronic devices with very high heat fluxes. Based on the previous work by analysing the effect of dimple radius on the overall performance of MHSIJD, the effects of dimple height and arrangement were numerically analysed. The velocity distribution, pressure drop, and thermal performance of MHSIJD under various dimple heights and arrangements were presented. The results showed that: MHSIJD with higher dimples had better overall performance with dimple radius being fixed; creating a mismatch between the impinging hole and dimple can solve the issue caused by the drift phenomenon; the mismatch between the impinging hole and dimple did not exhibit better overall performance than a well-matched design

An enhanced artificial neural network with a shuffled complex evolutionary global optimization with principal component analysis

The classical Back-Propagation (BP) scheme with gradient-based optimization in training Artificial Neural Networks (ANNs) suffers from many drawbacks, such as the premature convergence, and the tendency of being trapped in local optimums. Therefore, as an alternative for the BP and gradient-based optimization schemes, various Evolutionary Algorithms (EAs), i.e., Particle Swarm Optimization (PSO), Genetic Algorithm (GA), Simulated Annealing (SA), and Differential Evolution (DE), have gained popularity in the field of ANN weight training. This study applied a new efficient and effective Shuffled Complex Evolutionary Global Optimization Algorithm with Principal Component Analysis – University of California Irvine (SP-UCI) to the weight training process of a three-layer feed-forward ANN. A large-scale numerical comparison is conducted among the SP-UCI-, PSO-, GA-, SA-, and DE-based ANNs on 17 benchmark, complex, and real-world datasets. Results show that SP-UCI-based ANN outperforms other EA-based ANNs in the context of convergence and generalization. Results suggest that the SP-UCI algorithm possesses good potential in support of the weight training of ANN in real-word problems. In addition, the suitability of different kinds of EAs on training ANN is discussed. The large-scale comparison experiments conducted in this paper are fundamental references for selecting proper ANN weight training algorithms in practice