Free Energy Approach to the Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters

The freezing of metal nanoclusters such as gold, silver, and copper exhibits a novel structural evolution. The formation of the icosahedral (Ih) structure is dominant despite its energetic metastability. This important phenomenon, hitherto not understood, is studied by calculating free energies of gold nanoclusters. The structural transition barriers have been determined by using the umbrella sampling technique combined with molecular dynamics simulations. Our calculations show that the formation of Ih gold nanoclusters is attributed to the lower free energy barrier from the liquid to the Ih phases compared to the barrier from the liquid to the face-centered-cubic crystal phases

Rotating Black Hole Entropy from Two Different Viewpoints

Using the brick-wall method, we study the entropy of Kerr-Newman black hole from two different viewpoints, a rest observer at infinity and zero angular momentum observer near horizon. We investigate this with scalar field in the canonical quantization approach. An observer at infinity can take one of the two possible frequency ranges; one is with positive frequencies only and the other is with the whole range including negative frequencies. On the other hand, a zero angular momentum observer near horizon can take positive frequencies only. For the observer at infinity the superradiant modes appear in either choice of the frequency ranges and the two results coincide. For the zero angular momentum observer superradiant modes do not appear due to absence of ergoregion. The resulting entropies from the two viewpoints turn out to be the same.Comment: LaTeX 18 pages, 2 figures, Minor modifications in section 3(ZAMO

Observation of room-temperature ferroelectricity in tetragonal strontium titanate thin films on SrTiO3 (001) substrates

We investigated the ferroelectric properties of strontium titanate (STO) thin films deposited on SrTiO3 (001) substrate with SrRuO3 electrodes. The STO layer was grown coherently on the SrTiO3 substrate without in-plane lattice relaxation, but its out-of-plane lattice constant increased with a decrease in the oxygen pressure during deposition. Using piezoresponse force microscopy and P-V measurements, we showed that our tetragonal STO films possess room-temperature ferroelectricity. We discuss the possible origins of the observed ferroelectricity

BKB_K using HYP-smeared staggered fermions in Nf=2+1N_f=2+1 unquenched QCD

We present results for kaon mixing parameter $B_K$ calculated using HYP-smeared improved staggered fermions on the MILC asqtad lattices. We use three lattice spacings ($a\approx 0.12$, $0.09$ and $0.06\;$fm), ten different valence quark masses ($m\approx m_s/10-m_s$), and several light sea-quark masses in order to control the continuum and chiral extrapolations. We derive the next-to-leading order staggered chiral perturbation theory (SChPT) results necessary to fit our data, and use these results to do extrapolations based both on SU(2) and SU(3) SChPT. The SU(2) fitting is particularly straightforward because parameters related to taste-breaking and matching errors appear only at next-to-next-to-leading order. We match to the continuum renormalization scheme (NDR) using one-loop perturbation theory. Our final result is from the SU(2) analysis, with the SU(3) result providing a (less accurate) cross check. We find $B_K(\text{NDR}, \mu = 2 \text{GeV}) = 0.529 \pm 0.009 \pm 0.032$ and $\hat{B}_K =B_K(\text{RGI})= 0.724 \pm 0.012 \pm 0.043$, where the first error is statistical and the second systematic. The error is dominated by the truncation error in the matching factor. Our results are consistent with those obtained using valence domain-wall fermions on lattices generated with asqtad or domain-wall sea quarks.Comment: 37 pages, 31 figures, most updated versio

Polarization Switching Dynamics Governed by Thermodynamic Nucleation Process in Ultrathin Ferroelectric Films

A long standing problem of domain switching process - how domains nucleate - is examined in ultrathin ferroelectric films. We demonstrate that the large depolarization fields in ultrathin films could significantly lower the nucleation energy barrier (U*) to a level comparable to thermal energy (kBT), resulting in power-law like polarization decay behaviors. The "Landauer's paradox": U* is thermally insurmountable is not a critical issue in the polarization switching of ultrathin ferroelectric films. We empirically find a universal relation between the polarization decay behavior and U*/kBT.Comment: 5 pages, 4 figure

Photoelectrochemical cell study on closely arranged vertical nanorod bundles of CdSe and Zn doped CdSe films

Closely arranged CdSe and Zn doped CdSe vertical nanorod bundles were grown directly on FTO coated glass by using electrodeposition method. Structural analysis by XRD showed the hexagonal phase without any precipitates related to Zn. FE-SEM image showed end capped vertically aligned nanorods arranged closely. From the UV-vis transmittance spectra, band gap energy was found to vary between 1.94 and 1.98 eV due to the incorporation of Zn. Solar cell parameters were obtained by assembling photoelectrochemical cells using CdSe and CdSe:Zn photoanodes, Pt cathode and polysulfide (1M Na2S + 1M S + 1M NaOH) electrolyte. The efficiency was found to increase from 0.16 to 0.22 upon Zn doping. Electrochemical impedance spectra (EIS) indicate that the charge-transfer resistance on the FTO/CdSe/polysulfide interface was greater than on FTO/CdSe:Zn/polysulfide. Cyclic voltammetry results also indicate that the FTO/CdSe:Zn/polysulfide showed higher activity towards polysulfide redox reaction than that of FTO/CdSe/polysulfide