The structure, energy, and electronic states of vacancies in Ge nanocrystals

The atomic structure, energy of formation, and electronic states of vacancies in H-passivated Ge nanocrystals are studied by density functional theory (DFT) methods. The competition between quantum self-purification and the free surface relaxations is investigated. The free surfaces of crystals smaller than 2 nm distort the Jahn-Teller relaxation and enhance the reconstruction bonds. This increases the energy splitting of the quantum states and reduces the energy of formation to as low as 1 eV per defect in the smallest nanocrystals. In crystals larger than 2 nm the observed symmetry of the Jahn-Teller distortion matches the symmetry expected for bulk Ge crystals. Near the nanocrystal's surface the vacancy is found to have an energy of formation no larger than 0.5 to 1.4 eV per defect, but a vacancy more than 0.7 nm inside the surface has an energy of formation that is the same as in bulk Ge. No evidence of the self-purification effect is observed; the dominant effect is the free surface relaxations, which allow for the enhanced reconstruction. From the evidence in this paper, it is predicted that for moderate sized Ge nanocrystals a vacancy inside the crystal will behave bulk-like and not interact strongly with the surface, except when it is within 0.7 nm of the surface.Comment: In Press at Phys. Rev.

Spectral Properties From Lyman-alpha to H-alpha For An Essentially Complete Sample of Quasars I: Data

We have obtained quasi-simultaneous ultraviolet-optical spectra for 22 out of 23 quasars in the complete PG-X-ray sample with redshift, z<0.4, and M_B<-23. The spectra cover rest-frame wavelengths from at least Lyman-alpha to H-alpha. Here we provide a detailed description of the data, including careful spectrophotometry and redshift determination. We also present direct measurements of the continua, strong emission lines and features, including Lyman-alpha, SiIV+OIV], CIV, CIII], SiIII], MgII, H-beta, [OIII], He5876+NaI5890,5896, H-alpha, and blended iron emission in the UV and optical. The widths, asymmetries and velocity shifts of profiles of strong emission lines show that CIV and Lyman-alpha are very different from H-beta and H-alpha. This suggests that the motion of the broad line region is related to the ionization structure, but the data appears not agree with the radially stratified ionization structure supported by reverberation mapping studies, and therefore suggest that outflows contribute additional velocity components to the broad emission line profiles.Comment: 42 pages, 10 figures, 13 tables. Accepted by AJ. Supplemental figures not included. Full version available at http://physics.uwyo.edu/~shang/pgxpaper/ShangPaper.pd

Performance of a finite volume CEM code on multicomputers

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/77161/1/AIAA-1994-236-711.pd

Performance of a characteristic-based, 3-D, time-domain Maxwell equations solver on a massively parallel computer

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/77035/1/AIAA-1993-3179-911.pd

Heavy quark polarizations of e+e−→qqˉhe^+e^-\to q \bar q h in the general two Higgs doublet model

The polarizations of the heavy quark ($q=t$ or $b$) in the process $e^+e^- \to q \bar q h$ have been calculated in the general two Higgs doublet model. The CP violating normal polarization of the top quark can reach 8%, and $2 \sim 3$ for the bottom quark, while it is zero in the standard model. The longitudinal and transverse polarizations of the bottom quark can be significantly different from those in SM and consequently could aslo be used as the probe of the new physics.Comment: 12 pages, discussion on statistic significance added, version to appear in PR

The Effect of Water Repellent Surface Impregnation on Durability of Cement-Based Materials

In many cases, service life of reinforced concrete structures is severely limited by chloride penetration until the steel reinforcement or by carbonation of the covercrete. Water repellent treatment on the surfaces of cement-based materials has often been considered to protect concrete from these deteriorations. In this paper, three types of water repellent agents have been applied on the surface of concrete specimens. Penetration profiles of silicon resin in treated concrete have been determined by FT-IR spectroscopy. Water capillary suction, chloride penetration, carbonation, and reinforcement corrosion in both surface impregnated and untreated specimens have been measured. Results indicate that surface impregnation reduced the coefficient of capillary suction of concrete substantially. An efficient chloride barrier can be established by deep impregnation. Water repellent surface impregnation by silanes also can make the process of carbonation action slow. In addition, it also has been concluded that surface impregnation can provide effective corrosion protection to reinforcing steel in concrete with migrating chloride. The improvement of durability and extension of service life for reinforced concrete structures, therefore, can be expected through the applications of appropriate water repellent surface impregnation

The search for black hole binaries using a genetic algorithm

In this work we use genetic algorithm to search for the gravitational wave signal from the inspiralling massive Black Hole binaries in the simulated LISA data. We consider a single signal in the Gaussian instrumental noise. This is a first step in preparation for analysis of the third round of the mock LISA data challenge. We have extended a genetic algorithm utilizing the properties of the signal and the detector response function. The performance of this method is comparable, if not better, to already existing algorithms.Comment: 11 pages, 4 figures, proceeding for GWDAW13 (Puerto Rico