Efficient Method for Quantum Number Projection and Its Application to Tetrahedral Nuclear States

We have developed an efficient method for quantum number projection from most general HFB type mean-field states, where all the symmetries like axial symmetry, number conservation, parity and time-reversal invariance are broken. Applying the method, we have microscopically calculated, for the first time, the energy spectra based on the exotic tetrahedral deformation in $^{108,110}$Zr. The nice low-lying rotational spectra, which have all characteristic features of the molecular tetrahedral rotor, are obtained for large tetrahedral deformation, \alpha_{32} \gtsim 0.25, while the spectra are of transitional nature between vibrational and rotational with rather high excitation energies for $\alpha_{32}\approx 0.1-0.2$Comment: Trivial mistakes are correcte

Nuclear tetrahedral states and high-spin states studied using quantum number projection method

We have recently developed an efficient method of performing the full quantum number projection from the most general mean-field (HFB type) wave functions including the angular momentum, parity as well as the proton and neutron particle numbers. With this method, we have been investigating several nuclear structure mechanisms. In this report, we discuss the obtained quantum rotational spectra of the tetrahedral nuclear states formulating certain experimentally verifiable criteria, of the high-spin states, focussing on the wobbling- and chiral-bands, and of the drip-line nuclei as illustrative examples.Comment: 7 pages, 10 figures. Proceedings of Kazimierz conf. Sept.2013, to be published in Physica Script

Scanning tunneling microscopy and spectroscopy of the electronic local density of states of graphite surfaces near monoatomic step edges

We measured the electronic local density of states (LDOS) of graphite surfaces near monoatomic step edges, which consist of either the zigzag or armchair edge, with the scanning tunneling microscopy (STM) and spectroscopy (STS) techniques. The STM data reveal that the $(\sqrt{3} \times \sqrt{3}) R 30^{\circ}$ and honeycomb superstructures coexist over a length scale of 3-4 nm from both the edges. By comparing with density-functional derived nonorthogonal tight-binding calculations, we show that the coexistence is due to a slight admixing of the two types of edges at the graphite surfaces. In the STS measurements, a clear peak in the LDOS at negative bias voltages from -100 to -20 mV was observed near the zigzag edges, while such a peak was not observed near the armchair edges. We concluded that this peak corresponds to the graphite "edge state" theoretically predicted by Fujita \textit{et al.} [J. Phys. Soc. Jpn. {\bf 65}, 1920 (1996)] with a tight-binding model for graphene ribbons. The existence of the edge state only at the zigzag type edge was also confirmed by our first-principles calculations with different edge terminations.Comment: 20 pages, 11 figure

Water concentration in self-etching primers affects their aggressiveness and bonding efficacy to dentin

Water is required to ionize acid resin monomers for demineralization of tooth substrates. We tested the null hypothesis that altering the water concentration in two-step self-etching primers has no effect on their aggressiveness and bonding efficacy to dentin. Five experimental self-etching primers were prepared with resin-water-ethanol volume ratios of 9-0-1, 8-1-1, 7-2-1, 5-4-1, and 3-6-1. They were applied to smear-layer-covered dentin, followed by a bonding resin and composite build-ups for microtensile bond testing and TEM examination of tracer penetration. Increasing water concentration from 0-60 vol% improved acidic monomer ionization that was manifested as increasing hybrid layer thickness. However, significantly higher bond strength was observed in the 7-2-1 group, with minimal nanoleakage in the corresponding hybrid layer. When self-etching primers are formulated, a balance must be achieved to provide sufficient water for adequate ionization of the acidic monomers, without lowering the resin concentration too much, to optimize their bonding efficacy to dentin.published_or_final_versio

A mesoscopic ring as a XNOR gate: An exact result

We describe XNOR gate response in a mesoscopic ring threaded by a magnetic flux $\phi$. The ring is attached symmetrically to two semi-infinite one-dimensional metallic electrodes and two gate voltages, viz, $V_a$ and $V_b$, are applied in one arm of the ring which are treated as the inputs of the XNOR gate. The calculations are based on the tight-binding model and the Green's function method, which numerically compute the conductance-energy and current-voltage characteristics as functions of the ring-to-electrode coupling strength, magnetic flux and gate voltages. Our theoretical study shows that, for a particular value of $\phi$ ($=\phi_0/2$) ($\phi_0=ch/e$, the elementary flux-quantum), a high output current (1) (in the logical sense) appears if both the two inputs to the gate are the same, while if one but not both inputs are high (1), a low output current (0) results. It clearly exhibits the XNOR gate behavior and this aspect may be utilized in designing an electronic logic gate.Comment: 8 pages, 5 figure

Chemical fidelity of an RNA polymerase ribozyme

The emergence of catalytically active RNA enzymes (ribozymes) is widely believed to have been an important transition in the origin of life. In the context of a likely heterogeneous chemical environment, substrate specificity and selectivity of these primordial enzymes would have been critical for function. Here we have explored the chemical fidelity, i.e. substrate selectivity and specificity for both single and multiple catalytic steps of the Z RNA polymerase ribozyme - a modern day analogue of the primordial RNA replicase. Using a wide range of nucleotide analogues and ionic conditions, we observe strong energetic but weak geometric discrimination at the incorporation step, indicative of an open active site. In contrast, stringent selectivity is exerted at the extension steps through specific down and upstream interactions with the 3’-terminal nucleoside as well as nascent product and template strands. Our results indicate specificity mechanisms that are found in functionally analogous forms in natural polymerases. They also reveal a level of chemical fidelity over multiple catalytic steps that is remarkable for a comparatively unoptimized enzyme developed de novo from a random sequence pool. The convergent evolution of specificity mechanisms in phylogenetically unrelated proteinaceous polymerases and polymerase ribozymes suggests that chemical as well as informational fidelity are emergent properties of polymerase enzymes. © 2013 Royal Society of Chemistry.status: publishe

Possible Jurassic age for part of Rakaia Terrane: implications for tectonic development of the Torlesse accretionary prism

Greywacke sandstone and argillite beds comprising Rakaia Terrane (Torlesse Complex) in mid Canterbury, South Island, New Zealand, are widely regarded as Late Triassic (Norian) in age based on the occurrence of Torlessia trace fossils, Monotis, and other taxa. This paleontological age assignment is tested using published 40Ar/39Ar mica and U-Pb zircon ages for these rocks and published and new zircon fission track (FT) ages. The youngest U-Pb zircon ages in the Rakaia Terrane rocks in mid Canterbury are Norian, whereas 10-20% of the 40Ar/39Ar muscovite ages are younger than Norian. Numerical modelling of these mica ages shows that they cannot have originated from partial thermal overprinting in the Torlesse prism if the thermal maximum was short-lived and early in the prism history (210-190 Ma), as commonly inferred for these rocks. The young component of mica ages could, however, be explained by extended residence (200-100 Ma) at 265-290deg.C in the prism. Early Jurassic (c. 189 Ma) zircon FT ages for sandstone beds from Arthur's Pass, the Rakaia valley, and the Hermitage (Mt Cook) are interpreted not to have experienced maximum temperatures above 210deg.C, and therefore cannot have been reduced as a result of partial annealing in the Torlesse prism. This is based on identification of a fossil Cretaceous, zircon FT, partial annealing zone in low-grade schists to the west, and the characteristics of the age data. The Early Jurassic zircon FT ages and the young component of 40Ar/39Ar mica ages are regarded therefore as detrital ages reflecting cooling in the source area, and constrain the maximum depositional age of parts of the Rakaia Terrane in mid Canterbury. The zircon FT data also show the initiation (c. 100 Ma) of marked and widespread Late Cretaceous cooling of Rakaia Terrane throughout Canterbury, which is attributed to uplift and erosion of inboard parts of the Torlesse prism due to continuing subduction accretion at its toe. The critical wedge concept is proposed as a new framework for investigating the development of the Torlesse Complex. The Rakaia Terrane may have formed the core of an accretionary wedge imbricated against the New Zealand margin during the Middle or Late Jurassic. Late Jurassic nonmarine sediments (e.g., Clent Hills Formation) accumulated upon the inner parts of the prism as it enlarged, emerged, and continued to be imbricated. Exhumation of Otago Schist from c. 135 Ma may mark the development of a balance (steady state) between sediments entering the prism at the toe and material exiting at the inboard margin. The enlargement of the area of exhumation to all of Canterbury from c. 100 Ma may reflect a dynamic response to widening of the prism through the accretion of Cretaceous sediments. The model of a dynamic critical wedge may help to explain the various expressions of the Rangitata Orogeny

Angle-resolved photoemission study of untwinned PrBa2_2Cu3_3O7_7: undoped CuO2_2 plane and doped CuO3_3 chain

We have performed an angle-resolved photoemission study on untwinned PrBa$_2$Cu$_3$O$_7$, which has low resistivity but does not show superconductivity. We have observed a dispersive feature with a band maximum around ($\pi$/2,$\pi$/2), indicating that this band is derived from the undoped CuO$_2$ plane. We have observed another dispersive band exhibiting one-dimensional character, which we attribute to signals from the doped CuO$_3$ chain. The overall band dispersion of the one-dimensional band agrees with the prediction of $t-J$ model calculation with parameters relevant to cuprates except that the intensity near the Fermi level is considerably suppressed in the experiment.Comment: 6 pages, 10 figure

Angle-resolved photoemission study of insulating and metallic Cu-O chains in PrBa2_2Cu3_3O7_7 and PrBa2_2Cu4_4O8_8

We compare the angle-resolved photoemission spectra of the hole-doped Cu-O chains in PrBa$_2$Cu$_3$O$_7$ (Pr123) and in PrBa$_2$Cu$_4$O$_8$ (Pr124). While, in Pr123, a dispersive feature from the chain takes a band maximum at $k_b$ (momentum along the chain) $\sim$ $\pi/4$ and loses its spectral weight around the Fermi level, it reaches the Fermi level at $k_b$ $\sim$ $\pi/4$ in Pr124. Although the chains in Pr123 and Pr124 are approximately 1/4-filled, they show contrasting behaviors: While the chains in Pr123 have an instability to charge ordering, those in Pr124 avoid it and show an interesting spectral feature of a metallic coupled-chain system.Comment: 4 pages, 5 figures, to be published in PR