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Sample records for ab externo laser

  1. Ablation dynamics in laser sclerotomy ab externo

    NASA Astrophysics Data System (ADS)

    Brinkmann, Ralf; Droege, Gerit; Mohrenstecher, Dirk; Scheu, M.; Birngruber, Reginald

    1996-01-01

    Laser sclerostomy ab externo with flashlamp excited mid-IR laser systems emitting in the 2-3 micrometer spectral range is in phase II clinical trials. Although acutely high success rates were achieved, the restenosis rate after several months is about 40%. Laser pulses of several hundreds of microseconds, known to induce thermo-mechanical explosive evaporation were used for this procedure. We investigated the ablation dynamics in tissue and the cavitation bubble dynamics in water by means of an Er:YAG laser system to estimate the extent of mechanical damage zones in the sclera and in the anterior chamber, which may contribute to the clinical failure. We found substantial mechanical tissue deformation during the ablation process caused by the cavitation effects. Stress waves up to several bar generated by explosive evaporization were measured. The fast mechanical stretching and collapsing of the scleral tissue induced by cavitation resulted in tissue dissection as could be proved by flash photography and histology. The observed high restenosis might be a result of a subsequent enhanced wound healing process. Early fistula occlusions due to iris adherences, observed in about 20% of the clinical cases may be attributed to intraocular trauma induced by vapor bubble expansion through the anterior chamber after scleral perforation. An automatic feedback system minimizing adverse effects by steering and terminating the laser process during scleral fistulization is demonstrated. Moreover, a new approach in laser sclerostomy ab externo is presented using a cw-IR laser diode system emitting at the 1.94 micrometer mid-IR water absorption peak. This system was used in vitro and showed smaller damage zones compared to the pulsed laser radiation.

  2. Ultrasound Biomicroscopy Comparison of Ab Interno and Ab Externo Intraocular Lens Scleral Fixation.

    PubMed

    Horiguchi, Lie; Garcia, Patricia Novita; Malavazzi, Gustavo Ricci; Allemann, Norma; Gomes, Rachel L R

    2016-01-01

    Purpose. To compare ab interno and ab externo scleral fixation of posterior chamber intraocular lenses (PCIOL) using ultrasound biomicroscopy (UBM). Methods. Randomized patients underwent ab externo or ab interno scleral fixation of a PCIOL. Ultrasound biomicroscopy was performed 3 to 6 months postoperatively, to determine PCIOL centration, IOL distance to the iris at 12, 3, 6, and 9 hours, and haptics placement in relation to the ciliary sulcus. Results. Fifteen patients were enrolled in the study. The ab externo technique was used in 7 eyes (46.6%) and the ab interno in 8 eyes (53.3%). In the ab externo technique, 14 haptics were located: 4 (28.57%) in the ciliary sulcus; 2 (14.28%) anterior to the sulcus; and 8 (57.14%) posterior to the sulcus, 6 in the ciliary body and 2 posterior to the ciliary body. In the ab interno group, 4 haptics (25.0%) were in the ciliary sulcus, 2 (12.50%) anterior to the sulcus, and 10 (75.0%) posterior to the sulcus, 4 in the ciliary body and 6 posterior to the ciliary body. Conclusions. Ab externo and ab interno scleral fixation techniques presented similar results in haptic placement. Ab externo technique presented higher vertical tilt when compared to the ab interno.

  3. Ab initio evidence for nonthermal characteristics in ultrafast laser melting

    NASA Astrophysics Data System (ADS)

    Lian, Chao; Zhang, S. B.; Meng, Sheng

    2016-11-01

    Laser melting of semiconductors has been observed for almost 40 years; surprisingly, it is not well understood where most theoretical simulations show a laser-induced thermal process. Ab initio nonadiabatic simulations based on real-time time-dependent density functional theory reveal intrinsic nonthermal melting of silicon, at a temperature far below the thermal melting temperature of 1680 K. Both excitation threshold and time evolution of diffraction intensity agree well with experiment. Nonthermal melting is attributed to excitation-induced drastic changes in bonding electron density, and the subsequent decrease in the melting barrier, rather than lattice heating as previously assumed in the two-temperature models.

  4. Steady-state ab initio laser theory for N-level lasers.

    PubMed

    Cerjan, Alexander; Chong, Yidong; Ge, Li; Stone, A Douglas

    2012-01-02

    We show that Steady-state Ab initio Laser Theory (SALT) can be applied to find the stationary multimode lasing properties of an N-level laser. This is achieved by mapping the N-level rate equations to an effective two-level model of the type solved by the SALT algorithm. This mapping yields excellent agreement with more computationally demanding N-level time domain solutions for the steady state.

  5. A comparison of the characteristics of excimer and femtosecond laser ablation of acrylonitrile butadiene styrene (ABS)

    NASA Astrophysics Data System (ADS)

    See, Tian Long; Liu, Zhu; Li, Lin; Zhong, Xiang Li

    2016-02-01

    This paper presents an investigation on the ablation characteristics of excimer laser (λ = 248 nm, τ = 15 ns) and femtosecond laser (λ = 800 nm, τ = 100 fs) on ABS polymer sheets. The laser-material interaction parameters (ablation threshold, optical penetration depth and incubation factor) and the changes in material chemical properties were evaluated and compared between the two lasers. The work shows that the ablation threshold and effective optical penetration depth values are dependent on the wavelength of laser beam (photon energy) and the pulse width. The ablation threshold value is lower for the excimer laser ablation of ABS (Fth = 0.087 J/cm2) than that for the femtosecond laser ablation of ABS (Fth = 1.576 J/cm2), demonstrating a more dominating role of laser wavelength than the pulse width in influencing the ablation threshold. The ablation depth versus the logarithmic scale of laser fluence shows two linear regions for the fs laser ablation, not previously known for polymers. The effective optical penetration depth value is lower for excimer laser ablation (α-1 = 223 nm) than that for femtosecond laser ablation (α-1 = 2917 nm). The ablation threshold decreases with increasing number of pulses (NOP) due to the chain scission process that shortens the polymeric chains, resulting in a weaker polymeric configuration and the dependency is governed by the incubation factor. Excimer laser treatment of ABS eliminates the Cdbnd C bond completely through the chain scission process whereas Cdbnd C bond is partially eliminated through the femtosecond laser treatment due to the difference in photon energy of the two laser beams. A reduction in the Cdbnd C bond through the chain scission process creates free radical carbons which then form crosslinks with each other or react with oxygen, nitrogen and water in air producing oxygen-rich (Csbnd O and Cdbnd O bond) and nitrogen-rich (Csbnd N) functional groups.

  6. Use of Tunable, Pulsed Dye Laser for Quantitative Fluorescence in Syphilis Serology (FTA-ABS Test)

    PubMed Central

    Kasatiya, S. S.; Lambert, N. G.; Laurence, R. A.

    1974-01-01

    A pulsed dye laser was used as an excitation source in a fluorescent treponemal antibody absorption (FTA-ABS) test. A high precision in quantitative fluorescence was obtained with this high-power excitation source coupled to an electronic detection system and a storage oscilloscope by standardization of fluorescence evaluation and through elimination of human error. One 0.4-μs pulse exposure was sufficient to record fluorescence intensity data on the oscilloscope. Absence of fading of fluorescence after repeated excitation permitted multiple readings of the same microscope field. Almost 100% reproducible results were obtained for the FTA-ABS test with 40 samples. Electronic detection of fluorescence and the high sensitivity obtained with laser excitation raise doubts about the relative value of quantitative immunofluorescence in the FTA-ABS test. PMID:4598221

  7. Properties of metals during the heating by intense laser irradiation using ab initio simulations

    NASA Astrophysics Data System (ADS)

    Holst, Bastian; Recoules, Vanina; Torrent, Marc; Mazevet, Stephane

    2011-10-01

    Ultrashort laser pulses irradiating a target heat the electrons to very high temperatures. In contrast, the ionic lattice is unaffected on the time scale of the laser pulse since the heat capacity of electrons is much smaller than that of the lattice. This non-equilibrium system can be described as a composition of two subsystems: one consisting of hot electrons and the other of an ionic lattice at low temperature. We studied the effect of this intense electronic excitations on the optical properties of gold using ab initio simulations. We additionally use ab initio linear response to compute the phonon spectrum and the electron-phonon coupling constant within Density Functional Theory for several electronic temperatures of few eV. LULI, Ecole Polytechnique, CNRS, CEA, UPMC, 91128 Palaiseau, France.

  8. Ab interno laser sclerostomy in aphakic patients with glaucoma and chronic inflammation.

    PubMed

    Wilson, R P; Javitt, J C

    1990-08-15

    Five patients with aphakia, glaucoma, and chronic inflammation were treated with ab interno sclerostomy by using the continuous wave Nd:YAG laser focused through a sapphire probe. After a follow-up period of 24 to 28 months, three of five patients had good intraocular pressure control. The sclerostomy failed in one patient when it was occluded by vitreous. The second failure was attributed to closure of the sclerostomy because of chronic intraocular inflammation.

  9. Ab Initio Simulation of Electrical Currents Induced by Ultrafast Laser Excitation of Dielectric Materials

    NASA Astrophysics Data System (ADS)

    Wachter, Georg; Lemell, Christoph; Burgdörfer, Joachim; Sato, Shunsuke A.; Tong, Xiao-Min; Yabana, Kazuhiro

    2014-08-01

    We theoretically investigate the generation of ultrafast currents in insulators induced by strong few-cycle laser pulses. Ab initio simulations based on time-dependent density functional theory give insight into the atomic-scale properties of the induced current signifying a femtosecond-scale insulator-metal transition. We observe the transition from nonlinear polarization currents during the laser pulse at low intensities to tunnelinglike excitation into the conduction band at higher laser intensities. At high intensities, the current persists after the conclusion of the laser pulse considered to be the precursor of the dielectric breakdown on the femtosecond scale. We show that the transferred charge sensitively depends on the orientation of the polarization axis relative to the crystal axis, suggesting that the induced charge separation reflects the anisotropic electronic structure. We find good agreement with very recent experimental data on the intensity and carrier-envelope phase dependence [A. Schiffrin et al., Nature (London) 493, 70 (2013)].

  10. Laser transmission welding of ABS: Effect of CNTs concentration and process parameters on material integrity and weld formation

    NASA Astrophysics Data System (ADS)

    Rodríguez-Vidal, E.; Quintana, I.; Gadea, C.

    2014-04-01

    This paper reports a study of the laser transmission welding of polymeric joints composed by two ABS (acrylonitrile/butadiene/styrene) sheets, one transparent (natural ABS) and the other absorbent (filled by different percentages of carbon nanotubes (CNTs)). The objective of this work is to analyze the effect of process parameters and CNTs concentrations on weld formation and mechanical resistance of the weld joints.

  11. Impact of oxygen on the 300-K isotherm of Laser Megajoule ablator using ab initio simulation

    NASA Astrophysics Data System (ADS)

    Colin-Lalu, P.; Recoules, V.; Salin, G.; Huser, G.

    2015-11-01

    The ablator material for inertial confinement fusion (ICF) capsules on the Laser Mégajoule is a glow-discharge polymer (GDP) plastic. Its equation of state (EOS) is of primary importance for the design of such capsules, since it has direct consequences on shock timing and is essential to mitigate hydrodynamic instabilities. Using ab initio molecular dynamics (AIMD), we have investigated the 300-K isotherm of amorphous CH1.37O0.08 plastic, whose structure is close to GDP plastic. The 300-K isotherm, which is often used as a cold curve within tabular EOS, is an important contribution of the EOS in the multimegabar pressure range. AIMD results are compared to analytic models within tabular EOS, pointing out large discrepancies. In addition, we show that the effect of oxygen decreases 300-K isotherm pressure by 10%-15%. The implication of these observations is the ability to improve ICF target performance, which is essential to achieve fusion ignition.

  12. Ab Initio Theory of Coherent Laser-Induced Magnetization in Metals

    NASA Astrophysics Data System (ADS)

    Berritta, Marco; Mondal, Ritwik; Carva, Karel; Oppeneer, Peter M.

    2016-09-01

    We present the first materials specific ab initio theory of the magnetization induced by circularly polarized laser light in metals. Our calculations are based on nonlinear density matrix theory and include the effect of absorption. We show that the induced magnetization, commonly referred to as inverse Faraday effect, is strongly materials and frequency dependent, and demonstrate the existence of both spin and orbital induced magnetizations which exhibit a surprisingly different behavior. We show that for nonmagnetic metals (such as Cu, Au, Pd, Pt) and antiferromagnetic metals the induced magnetization is antisymmetric in the light's helicity, whereas for ferromagnetic metals (Fe, Co, Ni, FePt) the imparted magnetization is only asymmetric in the helicity. We compute effective optomagnetic fields that correspond to the induced magnetizations and provide guidelines for achieving all-optical helicity-dependent switching.

  13. Mosquito larvicide BinAB revealed by de novo phasing with an X-ray laser

    PubMed Central

    Colletier, Jacques-Philippe; Sawaya, Michael R.; Gingery, Mari; Rodriguez, Jose A.; Cascio, Duilio; Brewster, Aaron S.; Michels-Clark, Tara; Hice, Robert H.; Coquelle, Nicolas; Boutet, Sébastien; Williams, Garth J.; Messerschmidt, Marc; DePonte, Daniel P.; Sierra, Raymond G.; Laksmono, Hartawan; Koglin, Jason E.; Hunter, Mark S.; Park, Hyun-Woo; Uervirojnangkoorn, Monarin; Bideshi, Dennis K.; Brunger, Axel T.; Federici, Brian A.; Sauter, Nicholas K.; Eisenberg, David S.

    2016-01-01

    Summary BinAB is a naturally occurring paracrystalline larvicide distributed worldwide to combat the devastating diseases borne by mosquitoes. These crystals are composed of homologous molecules, BinA and BinB, which play distinct roles in the multi-step intoxication process, transforming from harmless, robust crystals, to soluble protoxin heterodimers, to internalized mature toxin, and finally toxic oligomeric pores. The small size of the crystals, 50 unit cells per edge, on average, has impeded structural characterization by conventional means. Here, we report the structure of BinAB solved de novo by serial-femtosecond crystallography at an X-ray free-electron laser (XFEL). The structure reveals tyrosine and carboxylate-mediated contacts acting as pH switches to release soluble protoxin in the alkaline larval midgut. An enormous heterodimeric interface appears responsible for anchoring BinA to receptor-bound BinB for co-internalization. Remarkably, this interface is largely composed of propeptides, suggesting that proteolytic maturation would trigger dissociation of the heterodimer and progression to pore formation. PMID:27680699

  14. Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation

    NASA Astrophysics Data System (ADS)

    Ji, Pengfei; Zhang, Yuwen

    2016-03-01

    On the basis of ab initio quantum mechanics (QM) calculation, the obtained electron heat capacity is implemented into energy equation of electron subsystem in two temperature model (TTM). Upon laser irradiation on the copper film, energy transfer from the electron subsystem to the lattice subsystem is modeled by including the electron-phonon coupling factor in molecular dynamics (MD) and TTM coupled simulation. The results show temperature and thermal melting difference between the QM-MD-TTM integrated simulation and pure MD-TTM coupled simulation. The successful construction of the QM-MD-TTM integrated simulation provides a general way that is accessible to other metals in laser heating.

  15. Ab initio and experimental studies of glow-discharge polymer used in laser mégajoule capsules

    NASA Astrophysics Data System (ADS)

    Colin-Lalu, P.; Recoules, V.; Salin, G.; Huser, G.

    2017-01-01

    The equations of state tables used in Inertial Confinement Fusion Capsule design tools are highly dependent on the cold curve in the multimegabar pressure range. Original ab initio molecular dynamic simulations were performed to get accurate cold curves of glow-discharge polymer (GDP) plastics. Furthermore the effect of oxygen absorption by GDP structure is studied on the cold curve, as well as its impact on the Hugoniot curves. Results are compared with the Hugoniot experimental data obtained in a recent experiment at the LULI2000 laser facility in France. This study leads to improve the equation of states knowledge of ablator materials, which is of primary importance for NIF and LMJ experiments.

  16. Ab initio and experimental studies of glow-discharge polymer used in Laser MégaJoule capsules

    NASA Astrophysics Data System (ADS)

    Colin-Lalu, Pierre; Huser, Gaël; Recoules, Vanina; Salin, Gwenael; CEA DAM DIF Team

    2015-06-01

    Equations of state tables used in Initial Confinement Fusion capsule design tools are highly dependent on the cold curve in the multimegabar range. Original ab-initio molecular dynamic simulations were performed to get accurate cold curves of glow-discharge polymer (GDP) plastics. Furthermore the effect of oxygen absorption by GDP structure is studied on the cold curve, as well as its impact on the Hugoniot curves. Results are compared with Hugoniot experimental data obtained in a recent experiment at the LULI2000 laser facility in France. This study leads to improve equation of states knowledge of ablator materials, which is of primary importance for NIF and LMJ experiments.

  17. Ab initio study on the electronic states and laser cooling of AlCl and AlBr

    NASA Astrophysics Data System (ADS)

    Rong, Yang; Bin, Tang; Tao, Gao

    2016-04-01

    We investigate whether AlCl and AlBr are promising candidates for laser cooling. We report new ab initio calculations on the ground state X1Σ+ and two low-lying states (A1Π and a3Π) of AlCl and AlBr. The calculated spectroscopic constants show good agreement with available theoretical and experimental results. We also obtain the permanent dipole moments (PDMs) curve at multi-reference configuration interaction (MRCI) level of theory. The transition properties of A1Π and a3Π states are predicted, including the transition dipole moments (TDMs), Franck-Condon factors (FCFs), radiative times and radiative width. The calculated radiative lifetimes are of the order of a nanosecond, implying that they are sufficiently short for rapid laser cooling. Both AlCl and AlBr have highly diagonally distributed FCFs which are crucial requirement for molecular laser cooling. The results demonstrate the feasibility of laser cooling AlCl and AlBr, and we propose laser cooling schemes for AlCl and AlBr.

  18. Helium-neon laser preirradiation induces protection against UVC radiation in wild-type E. coli strain K12AB1157.

    PubMed

    Kohli, R; Gupta, P K; Dube, A

    2000-02-01

    We have observed that preirradiation with a helium-neon laser (632.8 nm) induces protection against UVC radiation in wild-type E. coli strain K12AB1157. The magnitude of protection was found to depend on the helium-neon laser irradiance, exposure time, and period of incubation between helium-neon laser exposure and subsequent UVC irradiation. The optimum values for dose, irradiance and interval between the two exposures were found to be 7 kJ/m(2), 100 W/m(2) and 1 h, respectively. The possible involvement of singlet oxygen in the helium-neon laser-induced protection is also discussed.

  19. AB138. Experience on thulium laser treatment in transurethral resection of bladder tumor

    PubMed Central

    Gan, Xiuguo; An, Ruihua

    2016-01-01

    Objective To study the safety and efficacy of thulium laser treatment of bladder cancer. Methods Thulium laser surgery system was used for the treatment of 45 cases of bladder cancer patients, including 33 cases of single tumor, 12 cases of multiple tumors. Tumor diameter were 5–25 mm. Tumor pathology were bladder transitional cell carcinoma, clinical stage at T1–T2. Results All the surgery was successfully completion. Operation time was 10–35 minutes. Blood loss was 0–5 mL. None of bladder has perforation, water intoxication, urinary leakage or postoperative bleeding. All of the patients had received immediate intravesical chemotherapy within 0.5 hours, and to maintain bladder chemotherapy. All had catheter indwelled 5 to 7 days. Patients were followed up 1 year, no recurrence of the surgical area. Conclusions Thulium laser surgery system for the transurethral treatment of bladder cancer within stage T2 is safe and effective.

  20. Ab Initio Petaflop-scale Particle-in-Cell Simulation of Laser-Plasma Interaction

    NASA Astrophysics Data System (ADS)

    Albright, Brian

    2008-11-01

    Large three-dimensional (3D) particle-in-cell (PIC) simulations have been performed using the VPIC code on some of the world's largest supercomputers, including the Roadrunner supercomputer, the first machine capable of a petaflop/s. These simulations have revealed the complex physical mechanisms underlying laser-plasma interactions and show an emerging universal picture of nonlinear saturation of LPI in the kinetic regime. Moreover, with the advent of peta-scale computing, we are entering an era of ``at-scale'' modeling necessary to understand the essential nonlinearity of LPI in solitary laser speckles, the building-blocks of multi-speckle beams. Under NIF-relevant conditions, stimulated Raman scattering (SRS) vs. speckle intensity shows a sharp onset at a threshold intensity (below linear estimates) and saturation at higher intensity, as validated in Trident experiments. Wavefront bowing of electron plasma waves (EPW) from trapped electron nonlinear frequency shift and amplitude-dependent damping is observed in 3D. This is followed by trapped particle modulational instability, which evolves nonlinearly into self-focusing, rapid transverse EPW phase variation, increased loss of trapped electrons, and EPW damping. In 3D, EPW turbulence may also exhibit loss of coherence through azimuthal filamentation. This reduction of source coherence for backscattered light and increased damping limit how much backscatter can obtain in a speckle. In addition, 3D modeling of novel ultraintense laser-ion acceleration mechanisms will be shown. Collaborators: L. Yin, K. J. Bowers, B. Bergen, D. S. Montgomery, J. L. Kline, H. A. Rose, B. M. Hegelich, K. A. Flippo, J. C. Fern'andez.

  1. Laser Spectroscopy and AB Initio Calculations on the TaF Molecule

    NASA Astrophysics Data System (ADS)

    Ng, Kiu Fung; Zou, Wenli; Liu, Wenjian; Cheung, Allan S. C.

    2016-06-01

    Electronic transition spectrum of the tantalum monoflouride (TaF) molecule in the spectral region between 448 and 520 nm has been studied using the technique of laser-ablation/reaction free jet expansion and laser induced fluorescence spectroscopy. TaF molecule was produced by reacting laser-ablated tantalum atoms with sulfur hexafluoride gas seeded in argon. Sixteen vibrational bands with resolved rotational structure have been recorded and analyzed, which were organized into six electronic transition systems and the ground state has been identified to be the X3Σ-(0+) state with bond length, ro, and equilibrium vibrational frequency, ωe, determined to be 1.8209 Å and 700.1 wn respectively. In addition, four vibrational bands belong to another transition system involving lower state with Ω = 2 component has also been analyzed. All observed transitions are with ΔΩ = 0. Least-squares fit of the measured line positions yielded molecular constants for the electronic states involved. The Λ-S and Ω states of TaF were calculated at the state-averaged complete active space self-consistent field (SA-CASSCF) and the subsequent internally contracted multi-reference configuration interaction with singles and doubles and Davidson's cluster correction (MRCISD+Q) levels of theory with the active space of 4 electrons in 6 orbitals, that is, the molecular orbitals corresponding to Ta 5d6s are active. The spin-orbit coupling (SOC) is calculated by the state-interaction approach at the SA-CASSCF level via the relativistic effective core potentials (RECPs) spin-orbit operator, where the diagonal elements of the spin-orbit matrix are replaced by the above MRCISD+Q energies. The spectroscopic properties of the ground and many low-lying electronic states of the TaF molecule will be reported. With respect to the observed electronic states in this work, the calculated results are in good agreement with our experimental determinations. This work represents the first experimental

  2. Ab initio calculation of the thermodynamic properties of InSb under intense laser irradiation

    SciTech Connect

    Feng, ShiQuan; Cheng, XinLu; Zhao, JianLing; Zhang, Hong

    2013-07-28

    In this paper, phonon spectra of InSb at different electronic temperatures are presented. Based on the phonon dispersion relationship, we further perform a theoretical investigation of the thermodynamic properties of InSb under intense laser irradiation. The phonon entropy, phonon heat capacity, and phonon contribution to Helmholtz free energy and internal energy of InSb are calculated as functions of temperature at different electronic temperatures. The abrupt change in the phonon entropy- temperature curve from T{sub e} = 0.75 to 1.0 eV provides an indication of InSb undergoing a phase transition from solid to liquid. It can be considered as a collateral evidence of non-thermal melting for InSb under intense electronic excitation effect.

  3. High Power Picosecond Laser Surface Micro-texturing of H13 Tool Steel and Pattern Replication onto ABS Plastics via Injection Moulding

    NASA Astrophysics Data System (ADS)

    Otanocha, Omonigho B.; Li, Lin; Zhong, Shan; Liu, Zhu

    2016-03-01

    H13 tool steels are often used as dies and moulds for injection moulding of plastic components. Certain injection moulded components require micro-patterns on their surfaces in order to modify the physical properties of the components or for better mould release to reduce mould contamination. With these applications it is necessary to study micro-patterning to moulds and to ensure effective pattern transfer and replication onto the plastic component during moulding. In this paper, we report an investigation into high average powered (100 W) picosecond laser interactions with H13 tool steel during surface micro-patterning (texturing) and the subsequent pattern replication on ABS plastic material through injection moulding. Design of experiments and statistical modelling were used to understand the influences of laser pulse repetition rate, laser fluence, scanning velocity, and number of scans on the depth of cut, kerf width and heat affected zones (HAZ) size. The characteristics of the surface patterns are analysed. The process parameter interactions and significance of process parameters on the processing quality and efficiency are characterised. An optimum operating window is recommended. The transferred geometry is compared with the patterns generated on the dies. A discussion is made to explain the characteristics of laser texturing and pattern replication on plastics.

  4. Ab initio non-Born-Oppenheimer simulations of rescattering dissociation of H2 in strong infrared laser fields

    NASA Astrophysics Data System (ADS)

    Li, Zhi-Chao; He, Feng

    2014-11-01

    We simulate the time-dependent Schrödinger equation and observe the rescattering dissociation of H2 in strong infrared laser fields. Two dissociation pathways are identified, i.e., the dissociation of H2+ in the 2 p σu state and the dissociation of H2 in doubly excited states. The former accounts for larger proportions as the rescattering energy is larger. The kinetic energy release of dissociative fragments reflects the temporal internuclear distance at the moment the rescattering happens.

  5. De novo phasing with X-ray laser reveals mosquito larvicide BinAB structure [A potent binary mosquito larvicide revealed by de novo phasing with an X-ray free-electron laser

    DOE PAGES

    Colletier, Jacques -Philippe; Sawaya, Michael R.; Gingery, Mari; ...

    2016-09-28

    BinAB is a naturally occurring paracrystalline larvicide distributed worldwide to combat the devastating diseases borne by mosquitoes. These crystals are composed of homologous molecules, BinA and BinB, which play distinct roles in the multi-step intoxication process, transforming from harmless, robust crystals, to soluble protoxin heterodimers, to internalized mature toxin, and finally to toxic oligomeric pores. The small size of the crystals—50 unit cells per edge, on average—has impeded structural characterization by conventional means. Here we report the structure of Lysinibacillus sphaericus BinAB solved de novo by serial-femtosecond crystallography at an X-ray free-electron laser. The structure reveals tyrosine- and carboxylate-mediated contactsmore » acting as pH switches to release soluble protoxin in the alkaline larval midgut. An enormous heterodimeric interface appears to be responsible for anchoring BinA to receptor-bound BinB for co-internalization. Furthermore, this interface is largely composed of propeptides, suggesting that proteolytic maturation would trigger dissociation of the heterodimer and progression to pore formation.« less

  6. [Theoretical and physical aspects of excimer laser trabeculotomy (ELT) ab interno with the AIDA laser with a wave length of 308 mm].

    PubMed

    Walker, R; Specht, H

    2002-05-01

    Ablation of tissue structures containing and surrounded by water differs from tissue ablation at a surface, not only theoretically, but also in terms of outcome. In contrast to the situation often observed with surface ablation, it is shown that the trabecular meshwork in the anterior chamber of the eye can be ablated cleanly and accurately with the 308 nm Excimer laser without causing collateral thermal damage. The reason for this is that in the trabecular meshwork, the ratio of radiation-absorbing tissue to water--which absorbs very little energy--is very small. A marked cooling effect thus results, which permits the development of only a very small amount of collateral thermal damage at the boundaries of the ablation zone.

  7. Remembering AB

    NASA Astrophysics Data System (ADS)

    Belyayev, S. T.

    2013-06-01

    In 1947 I became a second-year student at Moscow State University's Physics and Engineering Department, where a part of the week's classes were taught at base organizations. Our group's base was the future Kurchatov Institute, at that time known as the mysterious "Laboratory N^circ 2," and later as LIPAN. . Besides group lectures and practical work at the experimental laboratories, we also had access to the general seminars which Igor Vasilyevich Kurchatov tried to hold, with Leonid Vasilyevich Groshev filling in when he was absent. At the seminar, theorists spoke as welcome co-presenters and commentators. In 1949 I felt ready to approach A. B. Migdal to ask if I could transfer to his theoretical sector. In response, he suggested a number of simple qualitative problems, which I then successfully solved. (Incidentally, AB used the very same "introductory problems" for screening many generations of students.) So I wound up among AB's students. From 1952 on (for 10 years) I also served as an employee of the Migdal Sector. My memoirs here are mainly inspired by these years of constant communication with AB. After my departure for Novosibirsk in 1962, although our meetings still took place, they became occasional....

  8. Lasers.

    ERIC Educational Resources Information Center

    Schewe, Phillip F.

    1981-01-01

    Examines the nature of laser light. Topics include: (1) production and characteristics of laser light; (2) nine types of lasers; (3) five laser techniques including holography; (4) laser spectroscopy; and (5) laser fusion and other applications. (SK)

  9. BH2 revisited: New, extensive measurements of laser-induced fluorescence transitions and ab initio calculations of near-spectroscopic accuracy

    NASA Astrophysics Data System (ADS)

    Sunahori, Fumie X.; Gharaibeh, Mohammed; Clouthier, Dennis J.; Tarroni, Riccardo

    2015-05-01

    The spectroscopy of gas phase BH2 has not been explored experimentally since the pioneering study of Herzberg and Johns in 1967. In the present work, laser-induced fluorescence (LIF) spectra of the A ˜ 2 B 1 ( Π u ) - X ˜ 2A1 band system of 11BH2, 10BH2, 11BD2, and 10BD2 have been observed for the first time. The free radicals were "synthesized" by an electric discharge through a precursor mixture of 0.5% diborane (B2H6 or B2D6) in high pressure argon at the exit of a pulsed valve. A total of 67 LIF bands have been measured and rotationally analyzed, 62 of them previously unobserved. These include transitions to a wide variety of excited state bending levels, to several stretch-bend combination levels, and to three ground state levels which gain intensity through Renner-Teller coupling to nearby excited state levels. As an aid to vibronic assignment of the spectra, very high level hybrid ab initio potential energy surfaces were built starting from the coupled cluster singles and doubles with perturbative triples (CCSD(T))/aug-cc-pV5Z level of theory for this seven-electron system. In an effort to obtain the highest possible accuracy, the potentials were corrected for core correlation, extrapolation to the complete basis set limit, electron correlation beyond CCSD(T), and diagonal Born-Oppenheimer effects. The spin-rovibronic states of the various isotopologues of BH2 were calculated for energies up to 22 000 cm-1 above the X ˜ (000) level without any empirical adjustment of the potentials or fitting to experimental data. The agreement with the new LIF data is excellent, approaching near-spectroscopic accuracy (a few cm-1) and has allowed us to understand the complicated spin-rovibronic energy level structure even in the region of strong Renner-Teller resonances.

  10. Ab initio theoretical reinvestigation of the ground and excited state properties of silylated coumarins: Good candidates for solid state dye lasers and dye-sensitized solar cells.

    PubMed

    Jain, Virendra Kumar

    2015-11-05

    We present ab initio theoretical calculations of various properties of the ground and excited states of basic coumarin (1) and its derivatives: 4-methylcoumarin (2), 7-aminocoumarin (3), 7-amino-4-methylcoumarin or coumarin 120 (4), 4-trifluoromethylcoumarin (5), 7-amino-4-trifluoromethylcoumarin or coumarin 151 (6), silylated coumarin 120 (7) and silylated coumarin 151 (8). We calculate the following: (i) ground and excited state dipole moments (ii) energies and locations of HOMOs and LUMOs (iii) SCF total energies of ground state (iv) excitation energies with oscillator strengths for first six excited states (v) C=O and C-N bond lengths in ground and excited states (vi) ground state thermodynamic and electronic properties. The ground and excited state properties of coumarins 1-8 are obtained within the framework of density functional theory using B3LYP and long-range-corrected (LRC) ωB97X-D functionals with 6-31G(d,p) basis set. A detailed comparative analysis of different photo physical and electronic properties of silylated and unsilylated coumarins is made. On the basis of theoretical results we find many interesting features of silylation process and we can conclude that silylation will result in better long-term photo and thermodynamic stability compared to its unsilylated counterpart due to increase in the values of thermodynamic parameters like SCF total energy, G(0) and H(0), etc. Therefore, silylated molecules may become good candidates for solid state dye lasers and dye sensitized solar cells. In contrast, we find that both the functional B3LYP and LRC-ωB97X-D predict nearly the same results for electronic, thermodynamic and photo physical properties of studied coumarins 1-8 in their ground states but B3LYP hybrid functional severely overestimates excited state dipole moments, underestimates vertical excitation energies, oscillator strengths, C=O and C-N bond lengths of studied coumarins. On the basis of our theoretical results we conclude that LRC

  11. Exoneración legal de enlace externo | Smokefree Español

    Cancer.gov

    Esta notificación gráfica significa que usted esta dejando el sitio en la red de Smokefree.gov y yendo a un sitio en red que no es del gobierno federal. Este sitio externo en la red provee información adicional que es consistente con el propósito buscado de los sitios de la red de Smokefree.gov. Smokefree.gov no puede garantizar la certeza de un sitio en la red que no es del gobierno federal.

  12. Lasers.

    PubMed

    Passeron, T

    2012-12-01

    Lasers are a very effective approach for treating many hyperpigmented lesions. They are the gold standard treatment for actinic lentigos and dermal hypermelanocytosis, such as Ota nevus. Becker nevus, hyperpigmented mosaicisms, and lentigines can also be successfully treated with lasers, but they could be less effective and relapses can be observed. However, lasers cannot be proposed for all types of hyperpigmentation. Thus, freckles and café-au-lait macules should not be treated as the relapses are nearly constant. Due to its complex pathophysiology, melasma has a special place in hyperpigmented dermatoses. Q-switched lasers (using standard parameters or low fluency) should not be used because of consistent relapses and the high risk of post-inflammatory hyperpigmentation. Paradoxically, targeting the vascular component of the melasma lesion with lasers could have a beneficial effect. However, these results have yet to be confirmed. In all cases, a precise diagnosis of the type of hyperpigmentation is mandatory before any laser treatment, and the limits and the potential side effects of the treatment must be clearly explained to patients.

  13. [Lasers].

    PubMed

    Passeron, T

    2012-11-01

    Lasers are a very effective approach for treating many hyperpigmented lesions. They are the gold standard treatment for actinic lentigos and dermal hypermelanocytosis, such as Ota nevus. Becker nevus, hyperpigmented mosaicisms, and lentigines can also be successfully treated with lasers, but they could be less effective and relapses can be observed. However, lasers cannot be proposed for all types of hyperpigmentation. Thus, freckles and café-au-lait macules should not be treated as the relapses are nearly constant. Due to its complex pathophysiology, melasma has a special place in hyperpigmented dermatoses. Q-switched lasers (using standard parameters or low fluency) should not be used because of consistent relapses and the high risk of post-inflammatory hyperpigmentation. Paradoxically, targeting the vascular component of the melasma lesion with lasers could have a beneficial effect. However, these results have yet to be confirmed. In all cases, a precise diagnosis of the type of hyperpigmentation is mandatory before any laser treatment, and the limits and the potential side effects of the treatment must be clearly explained to patients.

  14. De novo phasing with X-ray laser reveals mosquito larvicide BinAB structure [A potent binary mosquito larvicide revealed by de novo phasing with an X-ray free-electron laser

    SciTech Connect

    Colletier, Jacques -Philippe; Sawaya, Michael R.; Gingery, Mari; Rodriguez, Jose A.; Cascio, Duilio; Brewster, Aaron S.; Michels-Clark, Tara; Hice, Robert H.; Coquelle, Nicolas; Boutet, Sébastien; Williams, Garth J.; Messerschmidt, Marc; DePonte, Daniel P.; Sierra, Raymond G.; Laksmono, Hartawan; Koglin, Jason E.; Hunter, Mark S.; Park, Hyun -Woo; Uervirojnangkoorn, Monarin; Bideshi, Dennis K.; Brunger, Axel T.; Federici, Brian A.; Sauter, Nicholas K.; Eisenberg, David S.

    2016-09-28

    BinAB is a naturally occurring paracrystalline larvicide distributed worldwide to combat the devastating diseases borne by mosquitoes. These crystals are composed of homologous molecules, BinA and BinB, which play distinct roles in the multi-step intoxication process, transforming from harmless, robust crystals, to soluble protoxin heterodimers, to internalized mature toxin, and finally to toxic oligomeric pores. The small size of the crystals—50 unit cells per edge, on average—has impeded structural characterization by conventional means. Here we report the structure of Lysinibacillus sphaericus BinAB solved de novo by serial-femtosecond crystallography at an X-ray free-electron laser. The structure reveals tyrosine- and carboxylate-mediated contacts acting as pH switches to release soluble protoxin in the alkaline larval midgut. An enormous heterodimeric interface appears to be responsible for anchoring BinA to receptor-bound BinB for co-internalization. Furthermore, this interface is largely composed of propeptides, suggesting that proteolytic maturation would trigger dissociation of the heterodimer and progression to pore formation.

  15. Erythema ab igne.

    PubMed

    Miller, Kristen; Hunt, Raegan; Chu, Julie; Meehan, Shane; Stein, Jennifer

    2011-10-15

    Erythema ab igne is a reticulated, erythematous or hyperpigmented dermatosis that results from chronic and repeated exposure to low levels of infrared radiation. Multiple heat sources have been reported to cause this condition, which include heated reclining chairs, heating pads, hot water bottles, car heaters, electric space heaters, and, more recently, laptop computers. Treatment consists of withdrawing the inciting heat source. Although erythema ab igne carries a good prognosis, it is not necessarily a self-limited diagnosis as patients are at long-term risk of developing subsequent cutaneous malignant conditions, which include squamous cell and merkel-cell carcinomas.

  16. Laptop induced erythema ab igne.

    PubMed

    Nayak, Sudhir U K; Shenoi, Shrutakirthi D; Prabhu, Smitha

    2012-03-01

    Erythema ab igne is a reticular, pigmented dermatosis caused by prolonged and repeated exposure to infrared radiation that is insufficient to produce a burn. The use of laptop computers has increased manifold in the recent past. Prolonged contact of the laptop with the skin can lead to the development of erythema ab igne. We present a case of erythema ab igne secondary to laptop use in an Indian student.

  17. Ab Interno Trabeculectomy

    PubMed Central

    Pantcheva, Mina B.; Kahook, Malik Y.

    2010-01-01

    Anterior chamber drainage angle surgery, namely trabeculotomy and goniotomy, has been commonly utilized in children for many years. Its’ reported success has ranged between 68% and 100% in infants and young children with congenital glaucoma. However, the long-term success of these procedures has been limited in adults presumably due to the formation of anterior synechiae (AS) in the postoperative phase. Recently, ab interno trabeculectomy with the Trabectome™ has emerged as a novel surgical approach to effectively and selectively remove and ablate the trabecular meshwork and the inner wall of the Schlemm’s canal in an attempt to avoid AS formation or other forms of wound healing with resultant closure of the cleft. This procedure seems to have an appealing safety profile with respect to early hypotony or infection if compared to trabeculectomy or glaucoma drainage device implantation. This might be advantageous in some of the impoverish regions of the Middle East and Africa where patients experience difficulties keeping up with their postoperative visits. It is important to note that no randomized trial comparing the Trabectome to other glaucoma procedures appears to have been published to date. Trabectome surgery is not a panacea, however, and it is associated with early postoperative intraocular pressure spikes that may require additional glaucoma surgery as well as a high incidence of hyphema. Reported results show that postoperative intraocular pressure (IOP) remains, at best, in the mid-teen range making it undesirable in patients with low-target IOP goals. A major advantage of Trabectome surgery is that it does not preclude further glaucoma surgery involving the conjunctiva, such as a trabeculectomy or drainage device implantation. As prospective randomized long-term clinical data become available, we will be better positioned to elucidate the exact role of this technique in the glaucoma surgical armamentarium. PMID:21180426

  18. Autonomous Biological System (ABS) experiments.

    PubMed

    MacCallum, T K; Anderson, G A; Poynter, J E; Stodieck, L S; Klaus, D M

    1998-12-01

    Three space flight experiments have been conducted to test and demonstrate the use of a passively controlled, materially closed, bioregenerative life support system in space. The Autonomous Biological System (ABS) provides an experimental environment for long term growth and breeding of aquatic plants and animals. The ABS is completely materially closed, isolated from human life support systems and cabin atmosphere contaminants, and requires little need for astronaut intervention. Testing of the ABS marked several firsts: the first aquatic angiosperms to be grown in space; the first higher organisms (aquatic invertebrate animals) to complete their life cycles in space; the first completely bioregenerative life support system in space; and, among the first gravitational ecology experiments. As an introduction this paper describes the ABS, its flight performance, advantages and disadvantages.

  19. Ab Initio and Ab Exitu No-Core Shell Model

    SciTech Connect

    Vary, J P; Navratil, P; Gueorguiev, V G; Ormand, W E; Nogga, A; Maris, P; Shirokov, A

    2007-10-02

    We outline two complementary approaches based on the no core shell model (NCSM) and present recent results. In the ab initio approach, nuclear properties are evaluated with two-nucleon (NN) and three-nucleon interactions (TNI) derived within effective field theory (EFT) based on chiral perturbation theory (ChPT). Fitting two available parameters of the TNI generates good descriptions of light nuclei. In a second effort, an ab exitu approach, results are obtained with a realistic NN interaction derived by inverse scattering theory with off-shell properties tuned to fit light nuclei. Both approaches produce good results for observables sensitive to spin-orbit properties.

  20. Structural and spectroscopic analysis of 3-[(4-phenylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione with experimental (FT-IR, Laser-Raman) techniques and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Al-Omary, Fatmah A. M.; Karakaya, Mustafa; Sert, Yusuf; Haress, Nadia G.; El-Emam, Ali A.; Çırak, Çağrı

    2014-11-01

    Experimental and theoretical harmonic vibrational frequencies of 3-[(4-phenylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione have been investigated in this paper. Experimental FT-IR (400-4000 cm-1) and Laser-Raman spectra (100-4000 cm-1) of title compound in solid phase have been recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been also calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid functional) methods with 6-311++G(d,p) basis set, for the first time. Assignments of vibrational frequencies have been performed by potential energy distribution (PED) analysis. Total density of state (TDOS) diagrams analysis has been also presented for title compound. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Besides, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies have been found.

  1. Registration of nine sorghum seed parent (A/B) lines

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Nine sorghum [Sorghum bicolor (L.) Moench] A1 cyto plasmic-genic male sterile seed parent (A) and their maintainer (B) lines [KS 133A/B, KS 134A/B, KS 135A/B, KS 136A/B, KS 137A/B, KS 138A/B, KS 139A/B, KS 140A/B and KS 141A/B] were released by the Kansas State University, Agricultural Research Cent...

  2. 12 CFR Appendixes A-B - [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 12 Banks and Banking 6 2014-01-01 2012-01-01 true A Appendixes A-B Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY CAPITAL Regulatory Capital Requirements Appendixes A-B...

  3. 12 CFR Appendixes A-B - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 12 Banks and Banking 6 2013-01-01 2012-01-01 true A Appendixes A-B Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY CAPITAL Regulatory Capital Requirements Appendixes A-B...

  4. 12 CFR Appendixes A-B - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 12 Banks and Banking 5 2010-01-01 2010-01-01 false A Appendixes A-B Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY CAPITAL Regulatory Capital Requirements Appendixes A-B...

  5. 12 CFR Appendixes A-B - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 12 Banks and Banking 5 2011-01-01 2011-01-01 false A Appendixes A-B Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY CAPITAL Regulatory Capital Requirements Appendixes A-B...

  6. 12 CFR Appendixes A-B - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 12 Banks and Banking 6 2012-01-01 2012-01-01 false A Appendixes A-B Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY CAPITAL Regulatory Capital Requirements Appendixes A-B...

  7. H3P···AgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculations† †Electronic supplementary information (ESI) available: All underlying data are provided as electronic supplementary information accompanying this paper. See DOI: 10.1039/c6cp03512d Click here for additional data file. Click here for additional data file.

    PubMed Central

    Stephens, Susanna L.; Tew, David P.

    2016-01-01

    The new compound H3P···AgI has been synthesized in the gas phase by means of the reaction of laser-ablated silver metal with a pulse of gas consisting of a dilute mixture of ICF3 and PH3 in argon. Ground-state rotational spectra were detected and assigned for the two isotopologues H3P···107AgI and H3P···109AgI in their natural abundance by means of a chirped-pulse, Fourier-transform, microwave spectrometer. Both isotopologues exhibit rotational spectra of the symmetric-top type, analysis of which led to accurate values of the rotational constant B 0, the quartic centrifugal distortion constants D J and D JK, and the iodine nuclear quadrupole coupling constant χ aa(I) = eQq aa. Ab initio calculations at the explicitly-correlated level of theory CCSD(T)(F12*)/aug-cc-pVDZ confirmed that the atoms P···Ag–I lie on the C 3 axis in that order. The experimental rotational constants were interpreted to give the bond lengths r 0(P···Ag) = 2.3488(20) Å and r 0(Ag–I) = 2.5483(1) Å, in good agreement with the equilibrium lengths of 2.3387 Å and 2.5537 Å, respectively, obtained in the ab initio calculations. Measures of the strength of the interaction of PH3 and AgI (the dissociation energy D e for the process H3P···AgI = H3P + AgI and the intermolecular stretching force constant F P···Ag) are presented and are interpreted to show that the order of binding strength is H3P···HI < H3P···ICl < H3P···AgI for these metal-bonded molecules and their halogen-bonded and hydrogen-bonded analogues. PMID:27354204

  8. Ab interno trabeculectomy in the adult patient.

    PubMed

    SooHoo, Jeffrey R; Seibold, Leonard K; Kahook, Malik Y

    2015-01-01

    Glaucoma is a potentially blinding disease that affects millions of people worldwide. The mainstay of treatment is lowering of intraocular pressure (IOP) through the use of medications, laser and/or incisional surgery. The trabecular meshwork (TM) is thought to be the site of significant resistance to aqueous outflow in open angle glaucoma. Theoretically, an incision through TM or TM removal should decrease this resistance and lead to a significant reduction in IOP. This approach, commonly referred to as goniotomy or trabeculotomy, has been validated in the pediatric population and has been associated with long-term IOP control. In adults, however, removal of TM tissue has been historically associated with more limited and short-lived success. More recent evidence, reveals that even adult patients may benefit significantly from removal of diseased TM tissue and can lead to a significant reduction in IOP that is long-lasting and safe. In this review, we discuss current evidence and techniques for ab interno trabeculectomy using various devices in the adult patient.

  9. Ab Interno Trabeculectomy in the Adult Patient

    PubMed Central

    SooHoo, Jeffrey R.; Seibold, Leonard K.; Kahook, Malik Y.

    2015-01-01

    Glaucoma is a potentially blinding disease that affects millions of people worldwide. The mainstay of treatment is lowering of intraocular pressure (IOP) through the use of medications, laser and/or incisional surgery. The trabecular meshwork (TM) is thought to be the site of significant resistance to aqueous outflow in open angle glaucoma. Theoretically, an incision through TM or TM removal should decrease this resistance and lead to a significant reduction in IOP. This approach, commonly referred to as goniotomy or trabeculotomy, has been validated in the pediatric population and has been associated with long-term IOP control. In adults, however, removal of TM tissue has been historically associated with more limited and short-lived success. More recent evidence, reveals that even adult patients may benefit significantly from removal of diseased TM tissue and can lead to a significant reduction in IOP that is long-lasting and safe. In this review, we discuss current evidence and techniques for ab interno trabeculectomy using various devices in the adult patient. PMID:25624670

  10. AB INITIO AND CALPHAD THERMODYNAMICS OF MATERIALS

    SciTech Connect

    Turchi, P A

    2004-04-14

    Ab initio electronic structure methods can supplement CALPHAD in two major ways for subsequent applications to stability in complex alloys. The first one is rather immediate and concerns the direct input of ab initio energetics in CALPHAD databases. The other way, more involved, is the assessment of ab initio thermodynamics {acute a} la CALPHAD. It will be shown how these results can be used within CALPHAD to predict the equilibrium properties of multi-component alloys.

  11. Ab initio dynamical vertex approximation

    NASA Astrophysics Data System (ADS)

    Galler, Anna; Thunström, Patrik; Gunacker, Patrik; Tomczak, Jan M.; Held, Karsten

    2017-03-01

    Diagrammatic extensions of dynamical mean-field theory (DMFT) such as the dynamical vertex approximation (DΓ A) allow us to include nonlocal correlations beyond DMFT on all length scales and proved their worth for model calculations. Here, we develop and implement an Ab initio DΓ A approach (AbinitioDΓ A ) for electronic structure calculations of materials. The starting point is the two-particle irreducible vertex in the two particle-hole channels which is approximated by the bare nonlocal Coulomb interaction and all local vertex corrections. From this, we calculate the full nonlocal vertex and the nonlocal self-energy through the Bethe-Salpeter equation. The AbinitioDΓ A approach naturally generates all local DMFT correlations and all nonlocal G W contributions, but also further nonlocal correlations beyond: mixed terms of the former two and nonlocal spin fluctuations. We apply this new methodology to the prototypical correlated metal SrVO3.

  12. On laser-induced harpooning reactions

    NASA Astrophysics Data System (ADS)

    Weiner, J.

    1980-05-01

    In the present paper, the switching of chemical reactivity by a nonresonant laser field in simple gas-phase collisions of the type A + BC to AB + C is discussed in terms of a second-order optical/collision perturbation. A simple expression relating laser-induced harpooning cross sections to the laser power density is derived and is applied to Hg/Cl2 collisions.

  13. Erythema ab igne: Usual site, unusual cause.

    PubMed

    Manoharan, D

    2015-04-01

    Erythema ab igne is reticular erythematous pigmented dermatoses seen in patients exposed to prolonged or repeated sub-threshold Infrared radiation inadequate to cause burns. Here, we report a case of erythema ab igne in a 40-year-old male patient seen over the abdomen due to prolonged laptop use.

  14. Preliminary clinical results with the ISL laser

    NASA Astrophysics Data System (ADS)

    Hoppeler, Thomas; Gloor, Balder

    1992-08-01

    The ISL laser (Intelligent Surgical Lasers, Inc.), a Nd:YLF picosecond pulse laser, is currently being used under investigational device exemption to perform microsurgery of the anterior segment of the eye. At different study sites procedures for cataract fragmentation and iridotomy, as well as for posterior capsulotomy after cataract surgery, are under evaluation. Other potential applications include: sclerostomy ab interno, the cutting of membranes in the anterior and posterior segment of the eye; corneal incisions; and corneal intrastromal effects. We discuss various clinically relevant aspects of the use of this picosecond laser. An overview of different computer controlled laser patterns is given.

  15. The B AB AR detector

    NASA Astrophysics Data System (ADS)

    Aubert, B.; Bazan, A.; Boucham, A.; Boutigny, D.; De Bonis, I.; Favier, J.; Gaillard, J.-M.; Jeremie, A.; Karyotakis, Y.; Le Flour, T.; Lees, J. P.; Lieunard, S.; Petitpas, P.; Robbe, P.; Tisserand, V.; Zachariadou, K.; Palano, A.; Chen, G. P.; Chen, J. C.; Qi, N. D.; Rong, G.; Wang, P.; Zhu, Y. S.; Eigen, G.; Reinertsen, P. L.; Stugu, B.; Abbott, B.; Abrams, G. S.; Amerman, L.; Borgland, A. W.; Breon, A. B.; Brown, D. N.; Button-Shafer, J.; Clark, A. R.; Dardin, S.; Day, C.; Dow, S. F.; Fan, Q.; Gaponenko, I.; Gill, M. S.; Goozen, F. R.; Gowdy, S. J.; Gritsan, A.; Groysman, Y.; Hernikl, C.; Jacobsen, R. G.; Jared, R. C.; Kadel, R. W.; Kadyk, J.; Karcher, A.; Kerth, L. T.; Kipnis, I.; Kluth, S.; Kral, J. F.; Lafever, R.; LeClerc, C.; Levi, M. E.; Lewis, S. A.; Lionberger, C.; Liu, T.; Long, M.; Luo, L.; Lynch, G.; Luft, P.; Mandelli, E.; Marino, M.; Marks, K.; Matuk, C.; Meyer, A. B.; Minor, R.; Mokhtarani, A.; Momayezi, M.; Nyman, M.; Oddone, P. J.; Ohnemus, J.; Oshatz, D.; Patton, S.; Pedrali-Noy, M.; Perazzo, A.; Peters, C.; Pope, W.; Pripstein, M.; Quarrie, D. R.; Rasson, J. E.; Roe, N. A.; Romosan, A.; Ronan, M. T.; Shelkov, V. G.; Stone, R.; Strother, P. D.; Telnov, A. V.; von der Lippe, H.; Weber, T. F.; Wenzel, W. A.; Zizka, G.; Bright-Thomas, P. G.; Hawkes, C. M.; Kirk, A.; Knowles, D. J.; O'Neale, S. W.; Watson, A. T.; Watson, N. K.; Deppermann, T.; Koch, H.; Krug, J.; Kunze, M.; Lewandowski, B.; Peters, K.; Schmuecker, H.; Steinke, M.; Andress, J. C.; Barlow, N. R.; Bhimji, W.; Chevalier, N.; Clark, P. J.; Cottingham, W. N.; De Groot, N.; Dyce, N.; Foster, B.; Mass, A.; McFall, J. D.; Wallom, D.; Wilson, F. F.; Abe, K.; Hearty, C.; McKenna, J. A.; Thiessen, D.; Camanzi, B.; Harrison, T. J.; McKemey, A. K.; Tinslay, J.; Antohin, E. I.; Blinov, V. E.; Bukin, A. D.; Bukin, D. A.; Buzykaev, A. R.; Dubrovin, M. S.; Golubev, V. B.; Ivanchenko, V. N.; Kolachev, G. M.; Korol, A. A.; Kravchenko, E. A.; Mikhailov, S. F.; Onuchin, A. P.; Salnikov, A. A.; Serednyakov, S. I.; Skovpen, Yu. I.; Telnov, V. I.; Yushkov, A. N.; Booth, J.; Lankford, A. J.; Mandelkern, M.; Pier, S.; Stoker, D. P.; Zioulas, G.; Ahsan, A.; Arisaka, K.; Buchanan, C.; Chun, S.; Faccini, R.; MacFarlane, D. B.; Prell, S. A.; Rahatlou, Sh.; Raven, G.; Sharma, V.; Burke, S.; Callahan, D.; Campagnari, C.; Dahmes, B.; Hale, D.; Hart, P. A.; Kuznetsova, N.; Kyre, S.; Levy, S. L.; Long, O.; Lu, A.; May, J.; Richman, J. D.; Verkerke, W.; Witherell, M.; Yellin, S.; Beringer, J.; DeWitt, J.; Dorfan, D. E.; Eisner, A. M.; Frey, A.; Grillo, A. A.; Grothe, M.; Heusch, C. A.; Johnson, R. P.; Kroeger, W.; Lockman, W. S.; Pulliam, T.; Rowe, W.; Sadrozinski, H.; Schalk, T.; Schmitz, R. E.; Schumm, B. A.; Seiden, A.; Spencer, E. N.; Turri, M.; Walkowiak, W.; Wilder, M.; Williams, D. C.; Chen, E.; Dubois-Felsmann, G. P.; Dvoretskii, A.; Hanson, J. E.; Hitlin, D. G.; Kolomensky, Yu. G.; Metzler, S.; Oyang, J.; Porter, F. C.; Ryd, A.; Samuel, A.; Weaver, M.; Yang, S.; Zhu, R. Y.; Devmal, S.; Geld, T. L.; Jayatilleke, S.; Jayatilleke, S. M.; Mancinelli, G.; Meadows, B. T.; Sokoloff, M. D.; Bloom, P.; Broomer, B.; Erdos, E.; Fahey, S.; Ford, W. T.; Gaede, F.; van Hoek, W. C.; Johnson, D. R.; Michael, A. K.; Nauenberg, U.; Olivas, A.; Park, H.; Rankin, P.; Roy, J.; Sen, S.; Smith, J. G.; Wagner, D. L.; Blouw, J.; Harton, J. L.; Krishnamurthy, M.; Soffer, A.; Toki, W. H.; Warner, D. W.; Wilson, R. J.; Zhang, J.; Brandt, T.; Brose, J.; Dahlinger, G.; Dickopp, M.; Dubitzky, R. S.; Eckstein, P.; Futterschneider, H.; Kocian, M. L.; Krause, R.; Müller-Pfefferkorn, R.; Schubert, K. R.; Schwierz, R.; Spaan, B.; Wilden, L.; Behr, L.; Bernard, D.; Bonneaud, G. R.; Brochard, F.; Cohen-Tanugi, J.; Ferrag, S.; Fouque, G.; Gastaldi, F.; Matricon, P.; Mora de Freitas, P.; Renard, C.; Roussot, E.; T'Jampens, S.; Thiebaux, C.; Vasileiadis, G.; Verderi, M.; Anjomshoaa, A.; Bernet, R.; Di Lodovico, F.; Muheim, F.; Playfer, S.; Swain, J. E.; Falbo, M.; Bozzi, C.; Dittongo, S.; Folegani, M.; Piemontese, L.; Ramusino, A. C.; Treadwell, E.; Anulli, F.; Baldini-Ferroli, R.; Calcaterra, A.; de Sangro, R.; Falciai, D.; Finocchiaro, G.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Xie, Y.; Zallo, A.; Bagnasco, S.; Buzzo, A.; Contri, R.; Crosetti, G.; Fabbricatore, P.; Farinon, S.; Lo Vetere, M.; Macri, M.; Minutoli, S.; Monge, M. R.; Musenich, R.; Pallavicini, M.; Parodi, R.; Passaggio, S.; Pastore, F. C.; Patrignani, C.; Pia, M. G.; Priano, C.; Robutti, E.; Santroni, A.; Bartoldus, R.; Dignan, T.; Hamilton, R.; Mallik, U.; Cochran, J.; Crawley, H. B.; Fischer, P. A.; Lamsa, J.; McKay, R.; Meyer, W. T.; Rosenberg, E. I.; Albert, J. N.; Beigbeder, C.; Benkebil, M.; Breton, D.; Cizeron, R.; Du, S.; Grosdidier, G.; Hast, C.; Höcker, A.; Lacker, H. M.; LePeltier, V.; Lutz, A. M.; Plaszczynski, S.; Schune, M. H.; Trincaz-Duvoid, S.; Truong, K.; Valassi, A.; Wormser, G.; Alford, O.; Behne, D.; Bionta, R. M.; Bowman, J.; Brigljević, V.; Brooks, A.; Dacosta, V. A.; Fackler, O.; Fujino, D.; Harper, M.; Lange, D. J.; Mugge, M.; O'Connor, T. G.; Olson, H.; Ott, L.; Parker, E.; Pedrotti, B.; Roeben, M.; Shi, X.; van Bibber, K.; Wenaus, T. J.; Wright, D. M.; Wuest, C. R.; Yamamoto, B.; Carroll, M.; Cooke, P.; Fry, J. R.; Gabathuler, E.; Gamet, R.; George, M.; Kay, M.; McMahon, S.; Muir, A.; Payne, D. J.; Sloane, R. J.; Sutcliffe, P.; Touramanis, C.; Aspinwall, M. L.; Bowerman, D. A.; Dauncey, P. D.; Eschrich, I.; Gunawardane, N. J. W.; Martin, R.; Nash, J. A.; Price, D. R.; Sanders, P.; Smith, D.; Azzopardi, D. E.; Back, J. J.; Dixon, P.; Harrison, P. F.; Newman-Coburn, D.; Potter, R. J. L.; Shorthouse, H. W.; Williams, M. I.; Vidal, P. B.; Cowan, G.; George, S.; Green, M. G.; Kurup, A.; Marker, C. E.; McGrath, P.; McMahon, T. R.; Salvatore, F.; Scott, I.; Vaitsas, G.; Brown, D.; Davis, C. L.; Li, Y.; Pavlovich, J.; Allison, J.; Barlow, R. J.; Boyd, J. T.; Fullwood, J.; Jackson, F.; Khan, A.; Lafferty, G. D.; Savvas, N.; Simopoulos, E. T.; Thompson, R. J.; Weatherall, J. H.; Bard, R.; Dallapiccola, C.; Farbin, A.; Jawahery, A.; Lillard, V.; Olsen, J.; Roberts, D. A.; Schieck, J. R.; Blaylock, G.; Flood, K. T.; Hertzbach, S. S.; Kofler, R.; Lin, C. S.; Willocq, S.; Wittlin, J.; Brau, B.; Cowan, R.; Taylor, F.; Yamamoto, R. K.; Britton, D. I.; Fernholz, R.; Houde, M.; Milek, M.; Patel, P. M.; Trischuk, J.; Lanni, F.; Palombo, F.; Bauer, J. M.; Booke, M.; Cremaldi, L.; Kroeger, R.; Reep, M.; Reidy, J.; Sanders, D. A.; Summers, D. J.; Arguin, J. F.; Beaulieu, M.; Martin, J. P.; Nief, J. Y.; Seitz, R.; Taras, P.; Woch, A.; Zacek, V.; Nicholson, H.; Sutton, C. S.; Cartaro, C.; Cavallo, N.; De Nardo, G.; Fabozzi, F.; Gatto, C.; Lista, L.; Piccolo, D.; Sciacca, C.; Cason, N. M.; LoSecco, J. M.; Alsmiller, J. R. G.; Gabriel, T. A.; Handler, T.; Heck, J.; Iwasaki, M.; Sinev, N. B.; Caracciolo, R.; Colecchia, F.; Dal Corso, F.; Galeazzi, F.; Marzolla, M.; Michelon, G.; Morandin, M.; Posocco, M.; Rotondo, M.; Santi, S.; Simonetto, F.; Stroili, R.; Torassa, E.; Voci, C.; Bailly, P.; Benayoun, M.; Briand, H.; Chauveau, J.; David, P.; De la Vaissière, C.; Del Buono, L.; Genat, J.-F.; Hamon, O.; Leruste, Ph.; Le Diberder, F.; Lebbolo, H.; Lory, J.; Martin, L.; Martinez-Vidal, F.; Roos, L.; Stark, J.; Versillé, S.; Zhang, B.; Manfredi, P. F.; Ratti, L.; Re, V.; Speziali, V.; Frank, E. D.; Gladney, L.; Guo, Q. H.; Panetta, J. H.; Angelini, C.; Batignani, G.; Bettarini, S.; Bondioli, M.; Bosi, F.; Carpinelli, M.; Forti, F.; Gaddi, A.; Gagliardi, D.; Giorgi, M. A.; Lusiani, A.; Mammini, P.; Morganti, M.; Morsani, F.; Neri, N.; Profeti, A.; Paoloni, E.; Raffaelli, F.; Rama, M.; Rizzo, G.; Sandrelli, F.; Simi, G.; Triggiani, G.; Haire, M.; Judd, D.; Paick, K.; Turnbull, L.; Wagoner, D. E.; Albert, J.; Bula, C.; Kelsey, M. H.; Lu, C.; McDonald, K. T.; Miftakov, V.; Sands, B.; Schaffner, S. F.; Smith, A. J. S.; Tumanov, A.; Varnes, E. W.; Bronzini, F.; Buccheri, A.; Bulfon, C.; Cavoto, G.; del Re, D.; Ferrarotto, F.; Ferroni, F.; Fratini, K.; Lamanna, E.; Leonardi, E.; Mazzoni, M. A.; Morganti, S.; Piredda, G.; Safai Tehrani, F.; Serra, M.; Voena, C.; Waldi, R.; Jacques, P. F.; Kalelkar, M.; Plano, R. J.; Adye, T.; Claxton, B.; Dowdell, J.; Egede, U.; Franek, B.; Galagedera, S.; Geddes, N. I.; Gopal, G. P.; Kay, J.; Lidbury, J.; Madani, S.; Metcalfe, S.; Metcalfe, S.; Markey, G.; Olley, P.; Watt, M.; Xella, S. M.; Aleksan, R.; Besson, P.; Bourgeois, P.; Convert, P.; De Domenico, G.; de Lesquen, A.; Emery, S.; Gaidot, A.; Ganzhur, S. F.; Georgette, Z.; Gosset, L.; Graffin, P.; Hamel de Monchenault, G.; Hervé, S.; Karolak, M.; Kozanecki, W.; Langer, M.; London, G. W.; Marques, V.; Mayer, B.; Micout, P.; Mols, J. P.; Mouly, J. P.; Penichot, Y.; Rolquin, J.; Serfass, B.; Toussaint, J. C.; Usseglio, M.; Vasseur, G.; Yeche, C.; Zito, M.; Copty, N.; Purohit, M. V.; Yumiceva, F. X.; Adam, I.; Adesanya, A.; Anthony, P. L.; Aston, D.; Bartelt, J.; Becla, J.; Bell, R.; Bloom, E.; Boeheim, C. T.; Boyarski, A. M.; Boyce, R. F.; Briggs, D.; Bulos, F.; Burgess, W.; Byers, B.; Calderini, G.; Chestnut, R.; Claus, R.; Convery, M. R.; Coombes, R.; Cottrell, L.; Coupal, D. P.; Coward, D. H.; Craddock, W. W.; DeBarger, S.; DeStaebler, H.; Dorfan, J.; Doser, M.; Dunwoodie, W.; Dusatko, J. E.; Ecklund, S.; Fieguth, T. H.; Freytag, D. R.; Glanzman, T.; Godfrey, G. L.; Haller, G.; Hanushevsky, A.; Harris, J.; Hasan, A.; Hee, C.; Himel, T.; Huffer, M. E.; Hung, T.; Innes, W. R.; Jessop, C. P.; Kawahara, H.; Keller, L.; King, M. E.; Klaisner, L.; Krebs, H. J.; Langenegger, U.; Langeveld, W.; Leith, D. W. G. S.; Louie, S. K.; Luitz, S.; Luth, V.; Lynch, H. L.; McDonald, J.; Manzin, G.; Marsiske, H.; Mattison, T.; McCulloch, M.; McDougald, M.; McShurley, D.; Menke, S.; Messner, R.; Metcalfe, S.; Morii, M.; Mount, R.; Muller, D. R.; Nelson, D.; Nordby, M.; O'Grady, C. P.; Olavson, L.; Olsen, J.; O'Neill, F. G.; Oxoby, G.; Paolucci, P.; Pavel, T.; Perl, J.; Pertsova, M.; Petrak, S.; Putallaz, G.; Raines, P. E.; Ratcliff, B. N.; Reif, R.; Robertson, S. H.; Rochester, L. S.; Roodman, A.; Russel, J. J.; Sapozhnikov, L.; Saxton, O. H.; Schietinger, T.; Schindler, R. H.; Schwiening, J.; Sciolla, G.; Seeman, J. T.; Serbo, V. V.; Shapiro, S.; Skarpass, K., Sr.; Snyder, A.; Soderstrom, E.; Soha, A.; Spanier, S. M.; Stahl, A.; Stiles, P.; Su, D.; Sullivan, M. K.; Talby, M.; Tanaka, H. A.; Va'vra, J.; Wagner, S. R.; Wang, R.; Weber, T.; Weinstein, A. J. R.; White, J. L.; Wienands, U.; Wisniewski, W. J.; Young, C. C.; Yu, N.; Burchat, P. R.; Cheng, C. H.; Kirkby, D.; Meyer, T. I.; Roat, C.; Henderson, R.; Khan, N.; Berridge, S.; Bugg, W.; Cohn, H.; Hart, E.; Weidemann, A. W.; Benninger, T.; Izen, J. M.; Kitayama, I.; Lou, X. C.; Turcotte, M.; Bianchi, F.; Bona, M.; Daudo, F.; Di Girolamo, B.; Gamba, D.; Grosso, P.; Smol, A.; Trapani, P. P.; Zanin, D.; Bosisio, L.; Della Ricca, G.; Lanceri, L.; Pompili, A.; Poropat, P.; Prest, M.; Rashevskaia, I.; Vallazza, E.; Vuagnin, G.; Panvini, R. S.; Brown, C.; De Silva, A.; Kowalewski, R.; Pitman, D.; Roney, J. M.; Band, H. R.; Charles, E.; Dasu, S.; Elmer, P.; Johnson, J. R.; Nielsen, J.; Orejudos, W.; Pan, Y.; Prepost, R.; Scott, I. J.; Walsh, J.; Wu, S. L.; Yu, Z.; Zobernig, H.; Moore, T. B.; Neal, H.

    2002-02-01

    B AB AR, the detector for the SLAC PEP-II asymmetric e +e - B Factory operating at the ϒ(4 S) resonance, was designed to allow comprehensive studies of CP-violation in B-meson decays. Charged particle tracks are measured in a multi-layer silicon vertex tracker surrounded by a cylindrical wire drift chamber. Electromagnetic showers from electrons and photons are detected in an array of CsI crystals located just inside the solenoidal coil of a superconducting magnet. Muons and neutral hadrons are identified by arrays of resistive plate chambers inserted into gaps in the steel flux return of the magnet. Charged hadrons are identified by d E/d x measurements in the tracking detectors and by a ring-imaging Cherenkov detector surrounding the drift chamber. The trigger, data acquisition and data-monitoring systems, VME- and network-based, are controlled by custom-designed online software. Details of the layout and performance of the detector components and their associated electronics and software are presented.

  16. Ab initio phonon limited transport

    NASA Astrophysics Data System (ADS)

    Verstraete, Matthieu

    We revisit the thermoelectric (TE) transport properties of two champion materials, PbTe and SnSe, using fully first principles methods. In both cases the performance of the material is due to subtle combinations of structural effects, scattering, and phase space reduction. In PbTe anharmonic effects are completely opposite to the predicted quasiharmonic evolution of phonon frequencies and to frequently (and incorrectly) cited extrapolations of experiments. This stabilizes the material at high T, but also tends to enhance its thermal conductivity, in a non linear manner, above 600 Kelvin. This explains why PbTe is in practice limited to room temperature applications. SnSe has recently been shown to be the most efficient TE material in bulk form. This is mainly due to a strongly enhanced carrier concentration and electrical conductivity, after going through a phase transition from 600 to 800 K. We calculate the transport coefficients as well as the defect concentrations ab initio, showing excellent agreement with experiment, and elucidating the origin of the double phase transition as well as the new charge carriers. AH Romero, EKU Gross, MJ Verstraete, and O Hellman PRB 91, 214310 (2015) O. Hellman, IA Abrikosov, and SI Simak, PRB 84 180301 (2011)

  17. Calorimetric Measurements of Laser Energy and Power - 1977 Supplement

    DTIC Science & Technology

    1977-10-10

    188. M. Nakatsuka and U. Kobo , Japan. J. Appl. Phys. 15_, 1585 (1976). 189. A. V. Kubarev, A. S. Obukhov, I. N. Govor, and V. M. Nesterenko...of Sensitivity Calibration for Far- Infrared Detectors, Naval Research Lab. Interim Rept. (1976). J. Current Laser Abs . 13, 287 (1976). 207. D...Optical Evaluation of Carbon Dioxide Laser Window Materials at Air Force Cambridge Research Labs, USNTIS, AD Rept. 749864 (1972). Chem. Abs . 78

  18. Ab interno sclerostomy with a high-powered argon endolaser.

    PubMed

    Jaffe, G J; Williams, G A; Mieler, W F; Radius, R L

    1988-10-15

    We used a high-energy argon blue-green laser (15-W maximum power output) to create full-thickness sclerostomies from the region of the anterior chamber angle to the subconjunctival space in pigmented rabbits using an ab interno approach. One to four laser pulses delivered through a 300-micron noncontact fiberoptic probe produced patent sclerostomies in all 20 eyes treated using 0.1-second pulse duration and 5 to 14 W of power. No intraoperative complications were encountered. Intraocular pressure, measured in 12 animals, decreased an average of 12 mm Hg in the treated eye relative to the fellow eye on the first postoperative day. The drop in intraocular pressure was associated with formation of a functioning filtration bleb. Intraocular pressure returned to preoperative levels in ten of 12 (83%) of the animals by the fourth postoperative day, and there was an associated flattening of the filtration bleb. Histologic and radioautographic analysis indicated that the effect of the laser was focal. Tissue damage and cellular proliferative response were limited to within approximately 200 micron of the wound margin.

  19. Erythema ab igne: evolving technology, evolving presentation.

    PubMed

    Kesty, Katarina; Feldman, Steven R

    2014-11-15

    We present a case of a 49-year-old woman with erythema ab igne on her posterior thighs owing to 2-4 hours per day of seat heater use in her car. Erythema ab igne is caused by prolonged exposure to a heat source. It used to be caused mainly by wood stoves used to heat homes. Erythema ab igne is now more often related to other heat sources, including heating pads, laptop computers, and car seat heaters, as in our case. As technology changes, so does the presentation of skin conditions that are related to technology.

  20. Ab Initio Study of Polonium

    SciTech Connect

    Zabidi, Noriza Ahmad; Kassim, Hasan Abu; Shrivastava, Keshav N.

    2008-05-20

    Polonium is the only element with a simple cubic (sc) crystal structure. Atoms in solid polonium sit at the corners of a simple cubic unit cell and no where else. Polonium has a valence electron configuration 6s{sup 2}6p{sup 4} (Z = 84). The low temperature {alpha}-phase transforms into the rhombohedral (trigonal) {beta} structure at {approx}348 K. The sc {alpha}-Po unit cell constant is a = 3.345 A. The beta form of polonium ({beta}-Po) has the lattice parameters, a{sub R} = 3.359 A and a rhombohedral angle 98 deg. 13'. We have performed an ab initio electronic structure calculation by using the density functional theory. We have performed the calculation with and without spin-orbit (SO) coupling by using both the LDA and the GGA for the exchange-correlations. The k-points in a simple cubic BZ are determined by R (0.5, 0.5, 0.5), {gamma} (0, 0, 0), X (0.5, 0, 0), M (0.5, 0.5, 0) and {gamma} (0, 0, 0). Other directions of k-points are {gamma} (0, 0, 0), X (0.5, 0, 0), R (0.5, 0.5, 0.5) and {gamma} (0, 0, 0). The SO splittings of p states at the {gamma} point in the GGA+SO scheme for {alpha}-Po are 0.04 eV and 0.02 eV while for the {beta}-Po these are 0.03 eV and 0.97 eV. We have also calculated the vibrational spectra for the unit cells in both the structures. We find that exchanging of a Po atom by Pb atom produces several more bands and destabilizes the {beta} phase.

  1. Ab Initio Infrared and Raman Spectra.

    DTIC Science & Technology

    1982-08-01

    tions. For parameters not depending on momenta, a parallel ab fhti Monte Carlo approach would use electronic energies and other parameters of... Monte Carlo approach. Specifically, as one of us has suggested,t I classical molecular dynamics may be integrated with ab iniHo quan- tum force...alternative approach, for phenomena which are not explicitly time dependent, is a Monte Carlo procedure in which at each trial nuclear configuration

  2. Laser apparatus

    NASA Technical Reports Server (NTRS)

    Koepf, G. A. (Inventor)

    1979-01-01

    A laser apparatus having a pump laser device for producing pump laser energy upon being excited is disclosed. The pump laser device has a resonating cavity for oscillating and amplifying the pump laser energy. A source laser device is used for producing source laser energy upon being excited by the pump laser energy. The source laser device has a resonating cavity for oscillating and amplifying the source laser energy. The source laser's resonating cavity is coupled within a portion of the pump laser's resonating cavity.

  3. Ab initio calculations of correlated electron dynamics in ultrashort pulses

    NASA Astrophysics Data System (ADS)

    Feist, Johannes

    2010-03-01

    The availability of ultrashort and intense light pulses on the femtosecond and attosecond timescale promises to allow to directly probe and control electron dynamics on their natural timescale. A crucial ingredient to understanding the dynamics in many-electron systems is the influence of electron correlation, induced by the interelectronic repulsion. In order to study electron correlation in ultrafast processes, we have implemented an ab initio simulation of the two-electron dynamics in helium atoms. We solve the time-dependent Schr"odinger equation in its full dimensionality, with one temporal and five spatial degrees of freedom in linearly polarized laser fields. In our computational approach, the wave function is represented through a combination of time-dependent close coupling with the finite element discrete variable representation, while time propagation is performed using an Arnoldi-Lanczos approximation with adaptive step size. This approach is optimized to allow for efficient parallelization of the program and has been shown to scale linearly using up to 1800 processor cores for typical problem sizes. This has allowed us to perform highly accurate and well- converged computations for the interaction of ultrashort laser pulses with He. I will present some recent results on using attosecond and femtosecond pulses to probe and control the temporal structure of the ionization process. This work was performed in collaboration with Stefan Nagele, Renate Pazourek, Andreas Kaltenb"ack, Emil Persson, Barry I. Schneider, Lee A. Collins, and Joachim Burgd"orfer.

  4. Ab interno trabeculectomy: patient selection and perspectives.

    PubMed

    Vinod, Kateki; Gedde, Steven J

    2016-01-01

    Ab interno trabeculectomy is one among several recently introduced minimally invasive glaucoma surgeries that avoid a conjunctival incision and full-thickness sclerostomy involved in traditional glaucoma surgery. Ablation of the trabecular meshwork and inner wall of Schlemm's canal is performed in an arcuate fashion via a clear corneal incision, alone or in combination with phacoemulsification cataract surgery. Intraocular pressure reduction following ab interno trabeculectomy is limited by resistance in distal outflow pathways and generally stabilizes in the mid-to-high teens. Relief of medication burden has been demonstrated by some studies. A very low rate of complications, most commonly transient hyphema and intraocular pressure elevations in the immediate postoperative period, have been reported. However, available data are derived from small retrospective and prospective case series. Randomized, controlled trials are needed to better elucidate the potential merits of ab interno trabeculectomy in the combined setting versus phacoemulsification cataract surgery alone and to compare it with other minimally invasive glaucoma surgeries.

  5. Laptop computer--associated erythema ab igne.

    PubMed

    Levinbook, Wendy Susser; Mallett, Janelle; Grant-Kels, Jane M

    2007-10-01

    A 40-year-old woman presented with an asymptomatic reticulated eruption on the thighs. After an extensive workup, she was diagnosed with erythema ab igne caused by laptop computer use. The eruption ultimately cleared several months after discontinuation of direct placement of the laptop computer on her thighs. Erythema ab igne is becoming increasingly associated with exposure to modern heat sources. A thorough history of patients with suspicious lesions should include questioning for contact with alternative heat sources to avoid an unnecessary workup for this condition.

  6. Photonic Molecule Lasers Revisited

    NASA Astrophysics Data System (ADS)

    Gagnon, Denis; Dumont, Joey; Déziel, Jean-Luc; Dubé, Louis J.

    2014-05-01

    Photonic molecules (PMs) formed by coupling two or more optical resonators are ideal candidates for the fabrication of integrated microlasers, photonic molecule lasers. Whereas most calculations on PM lasers have been based on cold-cavity (passive) modes, i.e. quasi-bound states, a recently formulated steady-state ab initio laser theory (SALT) offers the possibility to take into account the spectral properties of the underlying gain transition, its position and linewidth, as well as incorporating an arbitrary pump profile. We will combine two theoretical approaches to characterize the lasing properties of PM lasers: for two-dimensional systems, the generalized Lorenz-Mie theory will obtain the resonant modes of the coupled molecules in an active medium described by SALT. Not only is then the theoretical description more complete, the use of an active medium provides additional parameters to control, engineer and harness the lasing properties of PM lasers for ultra-low threshold and directional single-mode emission. We will extend our recent study and present new results for a number of promising geometries. The authors acknowledge financial support from NSERC (Canada) and the CERC in Photonic Innovations of Y. Messaddeq.

  7. MELCOR 1.8.2 assessment: Aerosol experiments ABCOVE AB5, AB6, AB7, and LACE LA2

    SciTech Connect

    Souto, F.J.; Haskin, F.E.; Kmetyk, L.N.

    1994-10-01

    The MELCOR computer code has been used to model four of the large-scale aerosol behavior experiments conducted in the Containment System Test Facility (CSTF) vessel. Tests AB5, AB6 and AB7 of the ABCOVE program simulate the dry aerosol conditions during a hypothetical severe accident in an LMFBR. Test LA2 of the LACE program simulates aerosol behavior in a condensing steam environment during a postulated severe accident in an LWR with failure to isolate the containment. The comparison of code results to experimental data show that MELCOR is able to correctly predict most of the thermal-hydraulic results in the four tests. MELCOR predicts reasonably well the dry aerosol behavior of the ABCOVE tests, but significant disagreements are found in the aerosol behavior modelling for the LA2 experiment. These results tend to support some of the concerns about the MELCOR modelling of steam condensation onto aerosols expressed in previous works. During these analyses, a limitation in the MELCOR input was detected for the specification of the aerosol parameters for more than one component. A Latin Hypercube Sampling (LHS) sensitivity study of the aerosol dynamic constants is presented for test AB6. The study shows the importance of the aerosol shape factors in the aerosol deposition behavior, and reveals that MELCOR input/output processing is highly labor intensive for uncertainty and sensitivity analyses based on LHS.

  8. Characterization of mAb dimers reveals predominant dimer forms common in therapeutic mAbs

    PubMed Central

    Plath, Friederike; Ringler, Philippe; Graff-Meyer, Alexandra; Stahlberg, Henning; Lauer, Matthias E.; Rufer, Arne C.; Graewert, Melissa A.; Svergun, Dmitri; Gellermann, Gerald; Finkler, Christof; Stracke, Jan O.; Koulov, Atanas; Schnaible, Volker

    2016-01-01

    ABSTRACT The formation of undesired high molecular weight species such as dimers is an important quality attribute for therapeutic monoclonal antibody formulations. Therefore, the thorough understanding of mAb dimerization and the detailed characterization mAb dimers is of great interest for future pharmaceutical development of therapeutic antibodies. In this work, we focused on the analyses of different mAb dimers regarding size, surface properties, chemical identity, overall structure and localization of possible dimerization sites. Dimer fractions of different mAbs were isolated to a satisfactory purity from bulk material and revealed 2 predominant overall structures, namely elongated and compact dimer forms. The elongated dimers displayed one dimerization site involving the tip of the Fab domain. Depending on the stress applied, these elongated dimers are connected either covalently or non-covalently. In contrast, the compact dimers exhibited non-covalent association. Several interaction points were detected for the compact dimers involving the hinge region or the base of the Fab domain. These results indicate that mAb dimer fractions are rather complex and may contain more than one kind of dimer. Nevertheless, the overall appearance of mAb dimers suggests the existence of 2 predominant dimeric structures, elongated and compact, which are commonly present in preparations of therapeutic mAbs. PMID:27031922

  9. Low-Absorption Laser Windows

    DTIC Science & Technology

    1976-04-01

    Halides 20 AB^rWACT (Continue on reverse side II necessary mnd Identity by block number) This semiannual report summarizes work by NRL under ARPA...20375, under ARPA Order 3006. The program was coordinated by Dr, P. H. Klein of NRL, and monitored by Dr. C. M. Stickley and CAPT II. Winsor of ARPA...of lowloss laser- window materials. This work, under ARPA Order 3066, is a direct outgrowth of that begun under ARPA Order 2031. (The two

  10. Indium-111 labeled monoclonal antibodies (Ab): The effect of DTPA conjugation on the Ab activity and tissue distribution

    SciTech Connect

    Sakahara, H.; Endo, K.; Nakashima, T.; Ohta, H.; Okada, K.; Yoshida, O.; Ohmomo, Y.; Horiuchi, K.; Yokoyama, A.; Torizuka, K.

    1984-01-01

    Monoclonal antibodies (Ab) to human ..cap alpha..-fetoprotein (AFP) were conjugated with diethylenetriaminepentaacetic acid (DTPA) using cyclic DTPA anhydride and the obtained conjugates, DTPA-Ab, were labeled with In-111. The effect of DTPA conjugation on the affinity constant and the maximum binding capacity of Ab was evaluated by radioimmunoassay and Scatchard plot analysis and In-111 labeled DTPA-Ab were used for the radioimmunodetection of tumor. Ab containing 1.0 DTPA molecule per Ab showed almost full retention of both the affinity constant and the maximum binding capacity. Then, 40 ..mu..Ci of In-111 labeled DTPA-Ab were injected intravenously to nude mice bearing AFP-producing human testicular tumor and the resulted were compared with I-131 labeled Ab. Scintigraphy clearly revealed transplanted tumor. Localization of In-111 labeled DTPA-Ab was significantly higher than I-131 labeled Ab. Tumor to blood ratio obtained at 4 days after injection was 2.59 with In-111 labeled DTPA-Ab compared to 0.99 with I-131 labeled Ab. When more than 1.9 DTPA molecules were incorporated per Ab, the maximum binding capacity decreased, although the affinity constant was less affected. These In-111 labeled DTPA-Ab caused significantly higher liver accumulation. These results indicate that In-111 labeled DTPA-Ab at a cojugated DTPA to Ab molar ratio of 1.0 may be superior to I-131 labeled Ab for tumor imaging, but the maximum binding capacity and tissue distribution of In-111 labeled DTPA-AB are greatly dependent upon the number of DTPA molecules incorporated per Ab molecule.

  11. Ab interno sclerostomy with a high-powered argon endolaser. Clinicopathologic correlation.

    PubMed

    Jaffe, G J; Mieler, W F; Radius, R L; Kincaid, M C; Massaro, B M; Abrams, G W

    1989-08-01

    A high-powered argon blue-green laser coupled to a 300-microns quartz fiberoptic probe was used to create an ab interno sclerostomy in a patient undergoing enucleation for a blind painful eye. Despite the presence of diffuse rubeosis, 360 degrees peripheral anterior synechiae, and superior conjunctival scarring, it was possible to create a full-thickness defect from the anterior chamber angle to the subconjunctival space without operative complications. Six laser applications were required using 8 W of power per pulse and 0.1-second pulse duration. The eye was enucleated immediately after the laser procedure, prepared for light microscopy, and sectioned serially. Histologic analysis demonstrated a patent fistula approximately 300 microns in diameter with sharp wound margins. Tissue damage was localized to within 150 microns of the sclerostomy. The overlying conjunctiva was intact.

  12. The photofragmentation of gas phase lanthanide complexes: Experimental and ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Chen, Jiangchao

    Dissociative laser-driven photoreactions of open-shell lanthanide metal-organic complexes are analyzed from experimental and computational aspects. Experimental analysis, based on time-of-flight mass spectrometry suggests the most probable pathway for the photoreactions. A sequence of intermediates and the distribution of final products are identified. The computational analysis, based on excited-state ab initio molecular dynamics with surface hopping, is implemented at the DFT level of theory. Computational treatment prompts the mechanism of laser-driven photoreactions at time ranges from femtoseconds to picoseconds. The experimental and computational analyses agree on several key products of photoreactions. Branching between two reaction pathways, ligand ejection versus cracking, is observed and explained. The results obtained are of importance for basic studies of processes beyond the Born-Oppenheimer approximation and for nano-electronics application of laser-assisted chemical vapor deposition of insulators with super-high dielectric constant.

  13. Ab initio study of cyanoguanidine isomers

    NASA Astrophysics Data System (ADS)

    Arbuznikov, A. V.; Sheludyakova, L. A.; Burgina, E. B.

    1995-06-01

    An ab initio quantum chemical study of the geometric structure and stability of cyanoguanidine isomers was carried out at the Hartree-Fock and Møller-Plesset levels of theory. Two stable separable isomers ('cyanioime' and 'cyanoamine') are found. This gives evidence in favour of the vibrational spectroscopy data showing the existence of both isomers.

  14. Ab initio study of cyanoguanidine isomers

    NASA Astrophysics Data System (ADS)

    Arbuznikov, A. V.; Sheludyakova, L. A.; Burgina, E. B.

    1995-06-01

    An ab initio quantum chemical study of the geometric structure and stability of cyanoguanidine isomers was carried out at the Hartree-Fock and Møller-Plesset levels of theory. Two stable separable isomers (‘cyanioime' and ‘cyanoamine') are found. This gives evidence in favour of the vibrational spectroscopy data showing the existence of both isomers.

  15. Detonation initiation in solid explosive: MD simulation using AB interatomic potential

    NASA Astrophysics Data System (ADS)

    Murzov, Semen; Zhakhovsky, Vasily

    2015-06-01

    Molecular dynamics simulation of impact detonation initiation in an AB model of condensed-phase explosive is performed with using a simplified reactive empirical bond order potential. Simulation of ultra-short piston-driven compression of AB explosive for the duration of a few picoseconds represents the indirect initiation of detonation by an ultra-short shock wave (SW) generated in a thin metal foil irradiated by a femtosecond laser pulse. Impact conditions required for transition of SW to detonation wave (DW) are studied. Variation of loading time and piston velocity, which controls piston pressure and input energy, is used to plot 2D regions of transition from SW to DW in pressure-time and energy-time planes. We demonstrate that the input energy required for initiation has a global minimum. Analysis of evolution of calculated pressure profiles gives a critical thickness of such AB explosive film in which transition from SW to DW can be completed. The effect of porosity and roughness of AB sample on impact detonation initiation is discussed.

  16. Ab initio Theory of Semiconductor Nanocrystals

    NASA Astrophysics Data System (ADS)

    Wang, Lin-Wang

    2007-03-01

    With blooming experimental synthesis of various nanostructures out of many semiconductor materials, there is an urgent need to calculate the electronic structures and optical properties of these nanosystems based on reliable ab initio methods. Unfortunately, due to the O(N^3) scaling of the conventional ab initio calculation methods based on the density functional theory (DFT), and the >1000 atom sizes of the most experimental nanosystems, the direct applications of these conventional ab intio methods are often difficult. Here we will present the calculated results using our O(N) scaling charge patching method (CPM) [1,2] to nanosystems up to 10,000 atoms. The CPM yields the charge density of a nanosystem by patching the charge motifs generated from small prototype systems. The CPM electron/hole eigen energies differ from the directly calculated results by only ˜10-20 meV. We will present the optical band gaps of quantum dots and wires, quantum rods, quantum dot/quantum well, and quantum dots doped with impurities. Besides good agreements with experimental measurements, we will demonstrate why it is important to perform ab initio calculations, in contrast with the continuum model k.p calculations. We will show the effects of surface polarization potentials and the internal electric fields. Finally, a linear scaling 3 dimensional fragment (LS3DF) method will be discussed. The LS3DF method can be used to calculate the total energy and atomic forces of a large nanosystem, with the results practically the same as the direct DFT method. Our work demonstrates that, with the help of supercomputers, it is now feasible to calculate the electronic structures and optical properties of >10,000 atom nanocrystals with ab initio accuracy. [1] L.W. Wang, Phys. Rev. Lett. 88, 256402 (2002). [2] J. Li, L.W. Wang, Phys. Rev. B 72, 125325 (2005).

  17. On the Strain Rate Sensitivity of Abs and Abs Plus Fused Deposition Modeling Parts

    NASA Astrophysics Data System (ADS)

    Vairis, A.; Petousis, M.; Vidakis, N.; Savvakis, K.

    2016-09-01

    In this work the effect of strain rate on the tensile strength of fused deposition modeling parts built with Acrylonitrile-butadiene-styrene (ABS) and ABS plus material is presented. ASTM D638-02a specimens were built with ABS and ABS plus and they were tested on a Schenck Trebel Co. tensile test machine at three different test speeds, equal, lower, and higher to the test speed required by the ASTM D638-02a standard. The experimental tensile strength results were compared and evaluated. The fracture surfaces of selected specimens were examined with a scanning electron microscope, to determine failure mode of the filament strands. It was found that, as the test speed increases, specimens develop higher tensile strength and have higher elastic modulus. Specimens tested in the highest speed of the experiment had on average about 10% higher elastic modulus and developed on average about 11% higher tensile strength.

  18. Laptop computer-induced erythema ab igne: a case report.

    PubMed

    Mohr, Melinda R; Scott, Kimberly A; Pariser, Robert M; Hood, Antoinette F

    2007-01-01

    Erythema ab igne is a condition characterized by reticulated telangiectasia and hyperpigmentation caused by repeated long-term exposure to infrared radiation insufficient to produce a burn. We report a case of laptop computer-induced erythema ab igne.

  19. Ab initio infrared and Raman spectra

    NASA Astrophysics Data System (ADS)

    Fredkin, Donald R.; Komornicki, Andrew; White, Steven R.; Wilson, Kent R.

    1983-06-01

    We discuss several ways in which molecular absorption and scattering spectra can be computed ab initio, from the fundamental constants of nature. These methods can be divided into two general categories. In the first, or sequential, type of approach, one first solves the electronic part of the Schrödinger equation in the Born-Oppenheimer approximation, mapping out the potential energy, dipole moment vector (for infrared absorption) and polarizability tensor (for Raman scattering) as functions of nuclear coordinates. Having completed the electronic part of the calculation, one then solves the nuclear part of the problem either classically or quantum mechanically. As an example of the sequential ab initio approach, the infrared and Raman rotational and vibrational-rotational spectral band contours for the water molecule are computed in the simplest rigid rotor, normal mode approximation. Quantum techniques are used to calculate the necessary potential energy, dipole moment, and polarizability information at the equilibrium geometry. A new quick, accurate, and easy to program classical technique involving no reference to Euler angles or special functions is developed to compute the infrared and Raman band contours for any rigid rotor, including asymmetric tops. A second, or simultaneous, type of ab initio approach is suggested for large systems, particularly those for which normal mode analysis is inappropriate, such as liquids, clusters, or floppy molecules. Then the curse of dimensionality prevents mapping out in advance the complete potential, dipole moment, and polarizability functions over the whole space of nuclear positions of all atoms, and a solution in which the electronic and nuclear parts of the Born-Oppenheimer approximation are simultaneously solved is needed. A quantum force classical trajectory (QFCT) molecular dynamic method, based on linear response theory, is described, in which the forces, dipole moment, and polarizability are computed quantum

  20. Detonation initiation in solid explosive: MD simulation using AB interatomic potential

    NASA Astrophysics Data System (ADS)

    Murzov, Semen; Zhakhovsky, Vasily

    2017-01-01

    The classical molecular dynamics method is used for atomistic simulation of detonation initiation in AB model of condensed phase explosive, in which the simplified REBO potential defines reactive interatomic interactions between atoms period A and B. The simulated ultra-short (picoseconds) shock wave (SW) compression of an explosive corresponds to indirect detonation initiation produced by femtosecond laser pulses. We study shock to detonation transition (SDT) including the evolution of pressure profiles in an AB explosive film. It is demonstrated that the pressure profile of detonation wave (DW) can be calculated from a time-dependent rear-surface velocity measured in experiments. The role of a single cylindrical pore in detonation initiation is investigated. The thresholds for long-term (tens of picosecond) and sustained loading initiating regimes are determined.

  1. 77 FR 73279 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-10

    ...-261-AD; Amendment 39-17276; AD 2012-24-06] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab...). ACTION: Final rule. SUMMARY: We are adopting a new airworthiness directive (AD) for certain Saab AB, Saab..., 2012). Request To Revise Company Name and Email Address Saab AB (the commenter) requested that...

  2. 77 FR 38224 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-27

    ... Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab... rulemaking (NPRM). SUMMARY: We propose to adopt a new airworthiness directive (AD) for certain Saab AB, Saab... Saab AB, Saab Aerosystems, SE-581 88, Link ping, Sweden; telephone +46 13 18 5591; fax +46 13 18...

  3. 77 FR 19565 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-02

    ... Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab... rulemaking (NPRM). SUMMARY: We propose to adopt a new airworthiness directive (AD) for all Saab AB, Saab... information identified in this proposed AD, contact Saab AB, Saab Aerosystems, SE-581 88, Link ping,...

  4. 77 FR 38470 - Airworthiness Directives; Saab AB, Saab Aerosystems Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-28

    ...-116-AD; Amendment 39-17103; AD 2012-13-01] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab...). ACTION: Final rule. SUMMARY: We are adopting a new airworthiness directive (AD) for all Saab AB, Saab... address this unsafe condition, SAAB AB Aeronautics have issued Service Bulletin (SB)...

  5. Ab initio infrared and Raman spectra

    NASA Technical Reports Server (NTRS)

    Fredkin, D. R.; White, S. R.; Wilson, K. R.; Komornicki, A.

    1983-01-01

    It is pointed out that with increased computer power and improved computational techniques, such as the gradients developed in recent years, it is becoming practical to compute spectra ab initio, from the fundamental constants of nature, for systems of increasing complexity. The present investigation has the objective to explore several possible ab initio approaches to spectra, giving particular attention to infrared and nonresonance Raman. Two approaches are discussed. The sequential approach, in which first the electronic part and then later the nuclear part of the Born-Oppenheimer approximation is solved, is appropriate for small systems. The simultaneous approach, in which the electronic and nuclear parts are solved at the same time, is more appropriate for many-atom systems. A review of the newer quantum gradient techniques is provided, and the infrared and Raman spectral band contours for the water molecule are computed.

  6. Terminal Forecast Reference Notebook, Osan AB, Korea.

    DTIC Science & Technology

    1981-06-30

    40 miles northeast through southeast of the base. Three seperate valleys merge in the vacinity of Osan AB to form a relatively large flat basin about...than those over the mountains, which at times may be completely obscured by clouds; this situation obviously can be dangerous for low-flying or...most frequently in late spring through early fall, these storms can usually be avoided by aircraft; a more dangerous situation may be encountered in

  7. Interaction of vermiculite with Katamin AB

    SciTech Connect

    Veksler, V.I.; Makashev, Yu.A.; Mikhailova, V.N.; Aleksandrova, E.M.; Vinogradova, I.A.

    1986-12-10

    Vermiculite can interact with quaternary ammonium salts to form organmineral compounds in the ion-exchange adsorption of these salts from waste water. This paper investigates this interaction between vermiculite and Katamin AB, a commercial cationic surfactant consisting of an aqueous solution of alkylbenyldimethylammonium chloride homologs. It is shown that ion exchange and molecular sorption occur simultaneously during the interaction and that vermiculite is a highly effective adsorbent in process water purification.

  8. Ab Initio Crystal Field for Lanthanides.

    PubMed

    Ungur, Liviu; Chibotaru, Liviu F

    2017-03-13

    An ab initio methodology for the first-principle derivation of crystal-field (CF) parameters for lanthanides is described. The methodology is applied to the analysis of CF parameters in [Tb(Pc)2 ](-) (Pc=phthalocyanine) and Dy4 K2 ([Dy(4) K(2) O(OtBu)(12) ]) complexes, and compared with often used approximate and model descriptions. It is found that the application of geometry symmetrization, and the use of electrostatic point-charge and phenomenological CF models, lead to unacceptably large deviations from predictions based on ab initio calculations for experimental geometry. It is shown how the predictions of standard CASSCF (Complete Active Space Self-Consistent Field) calculations (with 4f orbitals in the active space) can be systematically improved by including effects of dynamical electronic correlation (CASPT2 step) and by admixing electronic configurations of the 5d shell. This is exemplified for the well-studied Er-trensal complex (H3 trensal=2,2',2"-tris(salicylideneimido)trimethylamine). The electrostatic contributions to CF parameters in this complex, calculated with true charge distributions in the ligands, yield less than half of the total CF splitting, thus pointing to the dominant role of covalent effects. This analysis allows the conclusion that ab initio crystal field is an essential tool for the decent description of lanthanides.

  9. Ab-inition melting curve of titanium

    NASA Astrophysics Data System (ADS)

    Stutzmann, Vincent; Bouchet, Johann; Bottin, Francois

    2014-03-01

    Thermodynamical properties of titanium are of great interest for aerospace and aviation industries and many studies are done in order to understand its behaviour under pressure (P) and temperature (T) : phase transitions at low T, melting curve at high T and P. In this work we compute the first ab-initio melting curve of titanium. This one is obtained with the Abinit package using DFT, in the GGA approximation, and in the framework of the projector augmented wave method (PAW). At first, we perform ground state calculations and study the five allotropic phases of titanium. Two PAW atomic data are generated with two different cutoff radius. The larger one gives results near previews ab-initio calculations, whereas the smaller one gives results near all electron calculation. Using the second PAW atomic data and performing ab-initio molecular dynamic simulations, we then compute the melting curve of titanium with three different methods. Results show relevance of our calculations, but also discrepencies with experimental data.

  10. Ab interno trabeculectomy: patient selection and perspectives

    PubMed Central

    Vinod, Kateki; Gedde, Steven J

    2016-01-01

    Ab interno trabeculectomy is one among several recently introduced minimally invasive glaucoma surgeries that avoid a conjunctival incision and full-thickness sclerostomy involved in traditional glaucoma surgery. Ablation of the trabecular meshwork and inner wall of Schlemm’s canal is performed in an arcuate fashion via a clear corneal incision, alone or in combination with phacoemulsification cataract surgery. Intraocular pressure reduction following ab interno trabeculectomy is limited by resistance in distal outflow pathways and generally stabilizes in the mid-to-high teens. Relief of medication burden has been demonstrated by some studies. A very low rate of complications, most commonly transient hyphema and intraocular pressure elevations in the immediate postoperative period, have been reported. However, available data are derived from small retrospective and prospective case series. Randomized, controlled trials are needed to better elucidate the potential merits of ab interno trabeculectomy in the combined setting versus phacoemulsification cataract surgery alone and to compare it with other minimally invasive glaucoma surgeries. PMID:27574396

  11. AB initio infrared and Raman spectra

    NASA Astrophysics Data System (ADS)

    Fredkin, D. R.; Komornicki, A.; White, S. R.; Wilson, K. R.

    1982-08-01

    We discuss several ways in which molecular absorption and scattering spectra can be computed ab initio, from the fundamental constants of nature. These methods can be divided into two general categories. In the first, or sequential, type of approach, one first solves the electronic part of the Schroedinger equation in the Born-Oppenheimer approximation, mapping out the potential energy, dipole moment vector (for infrared absorption) and polarizability tensor (for Raman scattering) as functions of nuclear coordinates. Having completed the electronic part of the calculation, one then solves the nuclear part of the problem either classically or quantum mechanically. As an example of the sequential ab initio approach, the infrared and Raman rotational and vibrational-rotational spectral band contours for the water molecule are computed in the simplest rigid rotor, normal mode approximation. Quantum techniques, are used to calculate the necessary potential energy, dipole moment, and polarizability information at the equilibrium geometry. A new quick, accurate, and easy to program classical technique involving no reference to Euler angles or special functions is developed to compute the infrared and Raman angles or special functions is developed to compute the infrared and Raman band contours for any rigid rotor, including asymmetric tops. A second, or simultaneous, type of ab initio approach is suggested for large systems, particularly those for which normal mode analysis is inappropriate, such as liquids, clusters, or floppy molecules.

  12. The 2-alkyl-2H-indazole regioisomers of synthetic cannabinoids AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA are possible manufacturing impurities with cannabimimetic activities.

    PubMed

    Longworth, Mitchell; Banister, Samuel D; Mack, James B C; Glass, Michelle; Connor, Mark; Kassiou, Michael

    Indazole-derived synthetic cannabinoids (SCs) featuring an alkyl substituent at the 1-position and l-valinamide at the 3-carboxamide position (e.g., AB-CHMINACA) have been identified by forensic chemists around the world, and are associated with serious adverse health effects. Regioisomerism is possible for indazole SCs, with the 2-alkyl-2H-indazole regioisomer of AB-CHMINACA recently identified in SC products in Japan. It is unknown whether this regiosiomer represents a manufacturing impurity arising as a synthetic byproduct, or was intentionally synthesized as a cannabimimetic agent. This study reports the synthesis, analytical characterization, and pharmacological evaluation of commonly encountered indazole SCs AB-CHMINACA, AB-FUBINACA, AB-PINACA, 5F-AB-PINACA and their corresponding 2-alkyl-2H-indazole regioisomers. Both regioisomers of each SC were prepared from a common precursor, and the physical properties, (1)H and (13)C nuclear magnetic resonance spectroscopy, gas chromatography-mass spectrometry, and ultraviolet-visible spectroscopy of all SC compounds are described. Additionally, AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA were found to act as high potency agonists at CB1 (EC50 = 2.1-11.6 nM) and CB2 (EC50 = 5.6-21.1 nM) receptors in fluorometric assays, while the corresponding 2-alkyl-2H-indazole regioisomers demonstrated low potency (micromolar) agonist activities at both receptors. Taken together, these data suggest that 2-alkyl-2H-indazole regioisomers of AB-CHMINACA, AB-FUBINACA, AB-PINACA, and 5F-AB-PINACA are likely to be encountered by forensic chemists and toxicologists as the result of improper purification during the clandestine synthesis of 1-alkyl-1H-indazole regioisomers, and can be distinguished by differences in gas chromatography-mass spectrometry fragmentation pattern.

  13. Laser-Bioplasma Interaction: The Blood Type Transmutation Induced by Multiple Ultrashort Wavelength Laser Beams

    NASA Astrophysics Data System (ADS)

    Stefan, V. Alexander

    2015-11-01

    The interaction of ultrashort wavelength multi laser beams with the flowing blood thin films leads to the transmutation of the blood types A, B, and AB into O type. This is a novel mechanism of importance for the transfusion medicine. Laser radiation is in resonance with the eigen-frequency modes of the antigen proteins and forces the proteins to parametrically oscillate until they get kicked out from the surface. The stripping away of antigens is done by the scanning-multiple-lasers of a high repetition rate in the blue-purple frequency domain. The guiding-lasers are in the red-green frequency domain. The laser force, (parametric interaction with the antigen eigen-oscillation), upon the antigen protein molecule must exceed its weight. The scanning laser beam is partially reflected as long as the antigen(s) is not eliminated. The process of the protein detachment can last a few minutes. Supported by Nikola Tesla Labs., Stefan University.

  14. Laser clock

    SciTech Connect

    Facklam, R.L.

    1983-05-26

    A laser clock includes a linear laser in one embodiment of the clock and a ring laser gyro in the other embodiment. The linear laser is frequency stabilized and utilizes a single active medium in the form of a low pressure gas, such as He-Ne, with a Doppler broadened gain curve. The ring laser gyro is a four frequency laser with a Faraday rotor. Detector and electronic circuitry associated with the laser of each embodiment detects a beat frequency and convert it to a clock signal.

  15. Blue Laser.

    DTIC Science & Technology

    1985-12-01

    HOLLOW CATHODE LASER FABRICATION 13 4. EXPERIENCE WITH THE BLUE LASER 18 4.1 Operational and Processing Experience 18 4.2 Performance Testing 20 5...34 -. - . •. SECTION 3 BLUE HOLLOW CATHODE LASER FABRICATION This section presents an overview of the steps taken in creating a HCL. There is...to the laser assembly. These steps can actually be considered as the final steps in laser fabrication because some of them involve adding various

  16. Undoing Gender Through Legislation and Schooling: the Case of AB 537 and AB 394 IN California, USA

    NASA Astrophysics Data System (ADS)

    Knotts, Greg

    2009-11-01

    This article investigates California laws AB 537: The Student Safety and Violence Prevention Act of 2000, and the recently enacted AB 394: Safe Place to Learn Act. Both demand that gender identity and sexual orientation be added to the lexicon of anti-harassment protection in public education. However, despite these progressive measures, schools have an unconscious acceptance of heteronormativity and gendered norms, which undermines both the spirit and language of these laws. This paper examines how California schools can both change standard practices and realise the transformative social change that laws like AB 537 and AB 394 can instigate. I assert that the systemic implementation of these laws, through the adoption, enforcement and evaluation of existing AB 537 Task Force Recommendations, is necessary for their success. My second assertion is that AB 537 and AB 394 have the potential to change and reconstitute gender-based and heteronormative standards at school sites.

  17. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. 174.506 Section 174.506... thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. Residues of Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of...

  18. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. 174.506 Section 174.506... thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. Residues of Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of...

  19. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. 174.506 Section 174.506... thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. Residues of Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of...

  20. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. 174.506 Section 174.506... thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of a tolerance. Residues of Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of...

  1. Germacrene D Cyclization: An Ab Initio Investigation

    PubMed Central

    Setzer, William N.

    2008-01-01

    Essential oils that contain large concentrations of germacrene D are typically accompanied by cadinane sesquiterpenoids. The acid-catalyzed cyclization of germacrene D to give cadinane and selinane sesquiterpenes has been computationally investigated using both density functional (B3LYP/6-31G*) and post Hartree-Fock (MP2/6-31G* *) ab initio methods. The calculated energies are in general agreement with experimentally observed product distributions, both from acid-catalyzed cyclizations as well as distribution of the compounds in essential oils. PMID:19325722

  2. Ab initio quantum chemistry: Methodology and applications

    PubMed Central

    Friesner, Richard A.

    2005-01-01

    This Perspective provides an overview of state-of-the-art ab initio quantum chemical methodology and applications. The methods that are discussed include coupled cluster theory, localized second-order Moller–Plesset perturbation theory, multireference perturbation approaches, and density functional theory. The accuracy of each approach for key chemical properties is summarized, and the computational performance is analyzed, emphasizing significant advances in algorithms and implementation over the past decade. Incorporation of a condensed-phase environment by means of mixed quantum mechanical/molecular mechanics or self-consistent reaction field techniques, is presented. A wide range of illustrative applications, focusing on materials science and biology, are discussed briefly. PMID:15870212

  3. Molecular associations from ab initio pair potentials

    NASA Astrophysics Data System (ADS)

    Iglesias, E.; Sordo, T. L.; Sordo, J. A.

    1991-12-01

    A method of building up stable molecular associations by using pair potentials from ab initio calculations is presented. The Matsuoka-Clementi-Yoshimine potential has been chosen to emulate the water-water interactions while 1-6-12 potentials are used to compute both solute-solvent and solute-solute interactions. Parameters for neutral-amino-acid-water and neutral- amino-acid-neutral-amino-acid interactions are provided by the program. Supermolecules are constructed by minimization of the interaction energy of the molecules involved. Both steepest-decent and Fletcher-Powell algorithms are available to carry out such a minimization.

  4. Ab-initio phasing in protein crystallography

    NASA Astrophysics Data System (ADS)

    van der Plas, J. L.; Millane, Rick P.

    2000-11-01

    The central problem in the determination of protein structures form x-ray diffraction dada (x-ray crystallography) corresponds to a phase retrieval problem with undersampled amplitude data. Algorithms for this problem that have an increased radius of convergence have the potential for reducing the amount of experimental work, and cost, involved in determining protein structures. We describe such an algorithm. Application of the algorithm to a simulated crystallographic problem shows that it converges to the correct solution, with no initial phase information, where currently used algorithms fail. The results lend support to the possibility of ab initio phasing in protein crystallography.

  5. Ab-initio Studies Of Lithium Oxide

    NASA Astrophysics Data System (ADS)

    Gupta, M. K.; Goel, Prabhatasree; Mittal, R.; Chaplot, S. L.

    2010-12-01

    Lithium oxide is an important material because of its high thermal conductivity and superionic behavior at high temperature. It behaves like a superionic conductor above 1200 K. Phonon frequencies have been calculated using ab-initio method. The calculations of phonon dispersion relation near unit cell volume corresponding to the superionic transition indicate softening of zone boundary transverse acoustic phonon mode along (110). The instability of phonon mode could lead to the dynamical disorder of lithium sub lattice. Thermal expansion and equation of states are also computed. The results compare well with our previous semi-empirical potential calculations.

  6. Ab initio determination of the instability growth rate of warm dense beryllium-deuterium interface

    SciTech Connect

    Wang, Cong; Zhang, Ping; Li, Zi; Li, DaFang

    2015-10-15

    Accurate knowledge about the interfacial unstable growth is of great importance in inertial confinement fusion. During implosions, the deuterium-tritium capsule is driven by laser beams or X-rays to access the strongly coupled and partially degenerated warm dense matter regime. At this stage, the effects of dissipative processes, such as diffusion and viscosity, have significant impact on the instability growth rates. Here, we present ab initio molecular dynamics simulations to determine the equations of state and the transport coefficients. Several models are used to estimate the reduction in the growth rate dispersion curves of Rayleigh-Taylor and Richtmyer-Meshkov instabilities with considering the presence of these dissipative effects. We show that these instability growth rates are effectively reduced when considering diffusion. The findings provide significant insights into the microscopic mechanism of the instability growth at the ablator-fuel interface and will refine the models used in the laser-driven hydrodynamic instability experiments.

  7. Quantum phases of AB 2 fermionic chains

    NASA Astrophysics Data System (ADS)

    Murcia-Correa, L. S.; Franco, R.; Silva-Valencia, J.

    2016-02-01

    A fermionic chain is a one-dimensional system with fermions that interact locally and can jump between sites in the lattice, in particular an AB n chain type, where A and B are sites that exhibit a difference in energy level of Δ and site B is repeated n-times, such that the unit cell has n +1 sites. A limit case of this model, called the ionic Hubbard model (n = 1), has been widely studied due to its interesting physics and applications. In this paper, we study the ground state of an AB 2 chain, which describes the material R 4[Pt 2(P 2O5H2)4X] · nH 2 O. Specifically, we consider a filling with two electrons per unit cell, and using the density matrix renormalization group method we found that the system exhibits the band insulator and Mott correlated insulator phases, as well as an intermediate phase between them. For couplings of Δ = 2,10 and 20, we estimate the critical points that separate these phases through the structure factor and the energy gap in the sector of charge and spin, finding that the position of the critical point rises as a function of Δ.

  8. Ab initio based polarizable force field parametrization

    NASA Astrophysics Data System (ADS)

    Masia, Marco

    2008-05-01

    Experimental and simulation studies of anion-water systems have pointed out the importance of molecular polarization for many phenomena ranging from hydrogen-bond dynamics to water interfaces structure. The study of such systems at molecular level is usually made with classical molecular dynamics simulations. Structural and dynamical features are deeply influenced by molecular and ionic polarizability, which parametrization in classical force field has been an object of long-standing efforts. Although when classical models are compared to ab initio calculations at condensed phase, it is found that the water dipole moments are underestimated by ˜30%, while the anion shows an overpolarization at short distances. A model for chloride-water polarizable interaction is parametrized here, making use of Car-Parrinello simulations at condensed phase. The results hint to an innovative approach in polarizable force fields development, based on ab initio simulations, which do not suffer for the mentioned drawbacks. The method is general and can be applied to the modeling of different systems ranging from biomolecular to solid state simulations.

  9. Ab initio non-relativistic spin dynamics

    SciTech Connect

    Ding, Feizhi; Goings, Joshua J.; Li, Xiaosong; Frisch, Michael J.

    2014-12-07

    Many magnetic materials do not conform to the (anti-)ferromagnetic paradigm where all electronic spins are aligned to a global magnetization axis. Unfortunately, most electronic structure methods cannot describe such materials with noncollinear electron spin on account of formally requiring spin alignment. To overcome this limitation, it is necessary to generalize electronic structure methods and allow each electron spin to rotate freely. Here, we report the development of an ab initio time-dependent non-relativistic two-component spinor (TDN2C), which is a generalization of the time-dependent Hartree-Fock equations. Propagating the TDN2C equations in the time domain allows for the first-principles description of spin dynamics. A numerical tool based on the Hirshfeld partitioning scheme is developed to analyze the time-dependent spin magnetization. In this work, we also introduce the coupling between electron spin and a homogenous magnetic field into the TDN2C framework to simulate the response of the electronic spin degrees of freedom to an external magnetic field. This is illustrated for several model systems, including the spin-frustrated Li{sub 3} molecule. Exact agreement is found between numerical and analytic results for Larmor precession of hydrogen and lithium atoms. The TDN2C method paves the way for the ab initio description of molecular spin transport and spintronics in the time domain.

  10. Longitudinal wheel slip during ABS braking

    NASA Astrophysics Data System (ADS)

    Hartikainen, Lassi; Petry, Frank; Westermann, Stephan

    2015-02-01

    Anti-lock braking system (ABS) braking tests with two subcompact passenger cars were performed on dry and wet asphalt, as well as on snow and ice surfaces. The operating conditions of the tyres in terms of wheel slip were evaluated using histograms of the wheel slip data. The results showed different average slip levels for different road surfaces. It was also found that changes in the tyre tread stiffness affected the slip operating range through a modification of the slip value at which the maximum longitudinal force is achieved. Variation of the tyre footprint length through modifications in the inflation pressure affected the slip operating range as well. Differences in the slip distribution between vehicles with different brake controllers were also observed. The changes in slip operating range in turn modified the relative local sliding speeds between the tyre and the road. The results highlight the importance of the ABS controller's ability to adapt to changing slip-force characteristics of tyres and provide estimates of the magnitude of the effects of different tyre and road operating conditions.

  11. Structure, Biological Functions and Applications of the AB5 Toxins

    PubMed Central

    Beddoe, Travis; Paton, Adrienne W.; Le Nours, Jérôme; Rossjohn, Jamie; Paton, James C.

    2010-01-01

    AB5 toxins are important virulence factors for several major bacterial pathogens, including Bordetella pertussis, Vibrio cholerae, Shigella dysenteriae and at least two distinct pathotypes of Escherichia coli. The AB5 toxins are so termed because they comprise a catalytic A-subunit, which is responsible for disruption of essential host functions, and a pentameric B-subunit that binds to specific glycan receptors on the target cell surface. The molecular mechanisms by which these AB5 toxins cause disease have been largely unraveled, including recent insights into a novel AB5 toxin family, subtilase cytotoxin (SubAB). Furthermore, AB5 toxins have become a valuable tool for studying fundamental cellular functions, and are now being investigated for potential applications in the clinical treatment of human diseases. PMID:20202851

  12. Antibiotic stewardship through the EU project "ABS International".

    PubMed

    Allerberger, Franz; Frank, Annegret; Gareis, Roland

    2008-01-01

    The increasing problem of antimicrobial resistance requires implementation of antibiotic stewardship (ABS) programs. The project "ABS International--implementing antibiotic strategies for appropriate use of antibiotics in hospitals in member states of the European Union" was started in September 2006 in Austria, Belgium, the Czech Republic, Germany, Hungary, Italy, Poland, Slovenia and Slovakia. A training program for national ABS trainers was prepared and standard templates for ABS tools (antibiotic list, guides for antibiotic treatment and surgical prophylaxis, antibiotic-related organization) and valid process measures, as well as quality indicators for antibiotic use were developed. Specific ABS tools are being implemented in up to five healthcare facilities in each country. Although ABS International clearly focuses on healthcare institutions, future antimicrobial stewardship programs must also cover public education and antibiotic prescribing in primary care.

  13. Surface Observation Climatic Summaries (SOCS) for Yokota AB, Japan

    DTIC Science & Technology

    1988-11-01

    0*tSAFETAC/DS-88/202A OIC FILE COPY 0 00 N1 SURFACE OBSERVATION CLIMATIC SUMMARIES 0 FOR YOKOTA AB, JAPAN h F~ E TAC Prepared by 01-A, USAFETAC...62225-5438 REVIEW AND APPROVAL STATEMENT USAFETAC/DS-88/202, SURFACE OBSERVATION CLIMATIC SUMMARIES FOR YOKOTA AB JAPAN , NOVEMBER 1988, HAS BEEN REVIEWED...AB JAPAN 7. PERFORMING ORGANIZATION NAME AND ADDRESS: OPERATING LOCATION A, USAFETAC, FEDERAL BUILDING, ASHEVILLE, NC 28801-2723 8. PERFORMING

  14. Lasers of All Sizes

    NASA Astrophysics Data System (ADS)

    Balcou, Philippe; Forget, Sébastien Robert-Philip, Isabelle

    2015-10-01

    * Introduction * The Laser in All Its Forms * Gas lasers * Dye lasers * Solid-state lasers * Lasers for Every Taste * The rise of lasers * Lasers of all sizes * The colors of the rainbow... and beyond * Shorter and shorter lasers * Increasingly powerful lasers * Lasers: A Universal Tool? * Cutting, welding, and cleaning * Communicating * Treating illnesses * Measuring * Supplying energy? * Entertaining * Understanding * Conclusion

  15. Bacillus thuringiensis Cry34Ab1/Cry35Ab1 Interactions with Western Corn Rootworm Midgut Membrane Binding Sites

    PubMed Central

    Li, Huarong; Olson, Monica; Lin, Gaofeng; Hey, Timothy; Tan, Sek Yee; Narva, Kenneth E.

    2013-01-01

    Background Bacillus thuringiensis (Bt) Cry34Ab1/Cry35Ab1 are binary insecticidal proteins that are co-expressed in transgenic corn hybrids for control of western corn rootworm, Diabrotica virgifera virgifera LeConte. Bt crystal (Cry) proteins with limited potential for field-relevant cross-resistance are used in combination, along with non-transgenic corn refuges, as a strategy to delay development of resistant rootworm populations. Differences in insect midgut membrane binding site interactions are one line of evidence that Bt protein mechanisms of action differ and that the probability of receptor-mediated cross-resistance is low. Methodology/Principal Findings Binding site interactions were investigated between Cry34Ab1/Cry35Ab1 and coleopteran active insecticidal proteins Cry3Aa, Cry6Aa, and Cry8Ba on western corn rootworm midgut brush border membrane vesicles (BBMV). Competitive binding of radio-labeled proteins to western corn rootworm BBMV was used as a measure of shared binding sites. Our work shows that 125I-Cry35Ab1 binds to rootworm BBMV, Cry34Ab1 enhances 125I-Cry35Ab1 specific binding, and that 125I-Cry35Ab1 with or without unlabeled Cry34Ab1 does not share binding sites with Cry3Aa, Cry6Aa, or Cry8Ba. Two primary lines of evidence presented here support the lack of shared binding sites between Cry34Ab1/Cry35Ab1 and the aforementioned proteins: 1) No competitive binding to rootworm BBMV was observed for competitor proteins when used in excess with 125I-Cry35Ab1 alone or combined with unlabeled Cry34Ab1, and 2) No competitive binding to rootworm BBMV was observed for unlabeled Cry34Ab1 and Cry35Ab1, or a combination of the two, when used in excess with 125I-Cry3Aa, or 125I-Cry8Ba. Conclusions/Significance Combining two or more insecticidal proteins active against the same target pest is one tactic to delay the onset of resistance to either protein. We conclude that Cry34Ab1/Cry35Ab1 are compatible with Cry3Aa, Cry6Aa, or Cry8Ba for deployment as insect

  16. Laser microphone

    DOEpatents

    Veligdan, James T.

    2000-11-14

    A microphone for detecting sound pressure waves includes a laser resonator having a laser gain material aligned coaxially between a pair of first and second mirrors for producing a laser beam. A reference cell is disposed between the laser material and one of the mirrors for transmitting a reference portion of the laser beam between the mirrors. A sensing cell is disposed between the laser material and one of the mirrors, and is laterally displaced from the reference cell for transmitting a signal portion of the laser beam, with the sensing cell being open for receiving the sound waves. A photodetector is disposed in optical communication with the first mirror for receiving the laser beam, and produces an acoustic signal therefrom for the sound waves.

  17. Gangliosides, Ab1 and Ab2 antibodies II. Light versus heavy chain: An idiotype-anti-idiotype case study.

    PubMed

    López-Requena, Alejandro; Rodríguez, Mabel; de Acosta, Cristina Mateo; Moreno, Ernesto; Puchades, Yaquelin; González, Majela; Talavera, Ariel; Valle, Aisel; Hernández, Tays; Vázquez, Ana María; Pérez, Rolando

    2007-02-01

    The antibody heavy chain is generally more important than the light chain for the interaction with the antigen, although many reports demonstrate the influence of the light chain in the antibody binding properties. The heavy chains of anti-N-glycolyl-ganglioside P3 mAb and anti-idiotypic 1E10 mAb display complementary charged residues in their H-CDRs, particularly in H-CDR3. A basic residue in P3 mAb H-CDR1 was shown to be crucial for the interaction with the antigen and 1E10 mAb. The immunogenetic features of three other P3 mAb anti-idiotypic mAbs are now analyzed. One of them bears the same heavy chain as 1E10 mAb and a different light chain, but differs in its binding to P3 mAb mutants where H-CDR basic residues were replaced and in the binding to 1E10-specific phagotopes. Chimeric hybrid antibodies with P3 and 1E10 mAb heavy chains and unrelated light chains were obtained to further determine the importance of heavy chains in P3 and 1E10 mAb binding properties. One of the P3 heavy chain hybrid antibodies retained the specificity of P3 mAb with slight affinity differences. The heavy chains appear to play the main role in these mAb interactions, with the light chains modulating the affinity to their ligands.

  18. Laser ignition

    DOEpatents

    Early, James W.; Lester, Charles S.

    2004-01-13

    Sequenced pulses of light from an excitation laser with at least two resonator cavities with separate output couplers are directed through a light modulator and a first polarzing analyzer. A portion of the light not rejected by the first polarizing analyzer is transported through a first optical fiber into a first ignitor laser rod in an ignitor laser. Another portion of the light is rejected by the first polarizing analyzer and directed through a halfwave plate into a second polarization analyzer. A first portion of the output of the second polarization analyzer passes through the second polarization analyzer to a second, oscillator, laser rod in the ignitor laser. A second portion of the output of the second polarization analyzer is redirected by the second polarization analyzer to a second optical fiber which delays the beam before the beam is combined with output of the first ignitor laser rod. Output of the second laser rod in the ignitor laser is directed into the first ignitor laser rod which was energized by light passing through the first polarizing analyzer. Combined output of the first ignitor laser rod and output of the second optical fiber is focused into a combustible fuel where the first short duration, high peak power pulse from the ignitor laser ignites the fuel and the second long duration, low peak power pulse directly from the excitation laser sustains the combustion.

  19. Laser sampling

    NASA Astrophysics Data System (ADS)

    Gorbatenko, A. A.; Revina, E. I.

    2015-10-01

    The review is devoted to the major advances in laser sampling. The advantages and drawbacks of the technique are considered. Specific features of combinations of laser sampling with various instrumental analytical methods, primarily inductively coupled plasma mass spectrometry, are discussed. Examples of practical implementation of hybrid methods involving laser sampling as well as corresponding analytical characteristics are presented. The bibliography includes 78 references.

  20. Ab Initio Modeling of Molecular Radiation

    NASA Technical Reports Server (NTRS)

    Jaffe, Richard; Schwenke, David

    2014-01-01

    Radiative emission from excited states of atoms and molecules can comprise a significant fraction of the total heat flux experienced by spacecraft during atmospheric entry at hypersonic speeds. For spacecraft with ablating heat shields, some of this radiative flux can be absorbed by molecular constituents in the boundary layer that are formed by the ablation process. Ab initio quantum mechanical calculations are carried out to predict the strengths of these emission and absorption processes. This talk will describe the methods used in these calculations using, as examples, the 4th positive emission bands of CO and the 1g+ 1u+ absorption in C3. The results of these calculations are being used as input to NASA radiation modeling codes like NeqAir, HARA and HyperRad.

  1. Discovering chemistry with an ab initio nanoreactor

    SciTech Connect

    Wang, Lee-Ping; Titov, Alexey; McGibbon, Robert; Liu, Fang; Pande, Vijay S.; Martínez, Todd J.

    2014-11-02

    Chemical understanding is driven by the experimental discovery of new compounds and reactivity, and is supported by theory and computation that provides detailed physical insight. While theoretical and computational studies have generally focused on specific processes or mechanistic hypotheses, recent methodological and computational advances harken the advent of their principal role in discovery. Here we report the development and application of the ab initio nanoreactor – a highly accelerated, first-principles molecular dynamics simulation of chemical reactions that discovers new molecules and mechanisms without preordained reaction coordinates or elementary steps. Using the nanoreactor we show new pathways for glycine synthesis from primitive compounds proposed to exist on the early Earth, providing new insight into the classic Urey-Miller experiment. Ultimately, these results highlight the emergence of theoretical and computational chemistry as a tool for discovery in addition to its traditional role of interpreting experimental findings.

  2. Discovering chemistry with an ab initio nanoreactor

    NASA Astrophysics Data System (ADS)

    Martinez, Todd

    Traditional approaches for modeling chemical reaction networks such as those involved in combustion have focused on identifying individual reactions and using theoretical approaches to explore the underlying mechanisms. Recent advances involving graphical processing units (GPUs), commodity products developed for the videogaming industry, have made it possible to consider a distinct approach wherein one attempts to discover chemical reactions and mechanisms. We provide a brief summary of these developments and then discuss the concept behind the ``ab initio nanoreactor'' which explores the space of possible chemical reactions and molecular species for a given stoichiometry. The nanoreactor concept is exemplified with an example to the Urey-Miller reaction network which has been previously advanced as a potential model for prebiotic chemistry. We briefly discuss some of the future directions envisioned for the development of this nanoreactor concept.

  3. Ab Initio Calculation of the Hoyle State

    SciTech Connect

    Epelbaum, Evgeny; Krebs, Hermann; Lee, Dean; Meissner, Ulf-G.

    2011-05-13

    The Hoyle state plays a crucial role in the helium burning of stars heavier than our Sun and in the production of carbon and other elements necessary for life. This excited state of the carbon-12 nucleus was postulated by Hoyle as a necessary ingredient for the fusion of three alpha particles to produce carbon at stellar temperatures. Although the Hoyle state was seen experimentally more than a half century ago nuclear theorists have not yet uncovered the nature of this state from first principles. In this Letter we report the first ab initio calculation of the low-lying states of carbon-12 using supercomputer lattice simulations and a theoretical framework known as effective field theory. In addition to the ground state and excited spin-2 state, we find a resonance at -85(3) MeV with all of the properties of the Hoyle state and in agreement with the experimentally observed energy.

  4. Guiding ab initio calculations by alchemical derivatives

    NASA Astrophysics Data System (ADS)

    to Baben, M.; Achenbach, J. O.; von Lilienfeld, O. A.

    2016-03-01

    We assess the concept of alchemical transformations for predicting how a further and not-tested change in composition would change materials properties. This might help to guide ab initio calculations through multidimensional property-composition spaces. Equilibrium volumes, bulk moduli, and relative lattice stability of fcc and bcc 4d transition metals Zr, Nb, Mo, Tc, Ru, Rh, Pd, and Ag are calculated using density functional theory. Alchemical derivatives predict qualitative trends in lattice stability while equilibrium volumes and bulk moduli are predicted with less than 9% and 28% deviation, respectively. Predicted changes in equilibrium volume and bulk moduli for binary and ternary mixtures of Rh-Pd-Ag are in qualitative agreement even for predicted bulk modulus changes as large as +100% or -50%. Based on these results, it is suggested that alchemical transformations could be meaningful for enhanced sampling in the context of virtual high-throughput materials screening projects.

  5. Discovering chemistry with an ab initio nanoreactor

    PubMed Central

    Wang, Lee-Ping; Titov, Alexey; McGibbon, Robert; Liu, Fang; Pande, Vijay S.; Martínez, Todd J.

    2014-01-01

    Chemical understanding is driven by the experimental discovery of new compounds and reactivity, and is supported by theory and computation that provides detailed physical insight. While theoretical and computational studies have generally focused on specific processes or mechanistic hypotheses, recent methodological and computational advances harken the advent of their principal role in discovery. Here we report the development and application of the ab initio nanoreactor – a highly accelerated, first-principles molecular dynamics simulation of chemical reactions that discovers new molecules and mechanisms without preordained reaction coordinates or elementary steps. Using the nanoreactor we show new pathways for glycine synthesis from primitive compounds proposed to exist on the early Earth, providing new insight into the classic Urey-Miller experiment. These results highlight the emergence of theoretical and computational chemistry as a tool for discovery in addition to its traditional role of interpreting experimental findings. PMID:25411881

  6. Discovering chemistry with an ab initio nanoreactor

    DOE PAGES

    Wang, Lee-Ping; Titov, Alexey; McGibbon, Robert; ...

    2014-11-02

    Chemical understanding is driven by the experimental discovery of new compounds and reactivity, and is supported by theory and computation that provides detailed physical insight. While theoretical and computational studies have generally focused on specific processes or mechanistic hypotheses, recent methodological and computational advances harken the advent of their principal role in discovery. Here we report the development and application of the ab initio nanoreactor – a highly accelerated, first-principles molecular dynamics simulation of chemical reactions that discovers new molecules and mechanisms without preordained reaction coordinates or elementary steps. Using the nanoreactor we show new pathways for glycine synthesis frommore » primitive compounds proposed to exist on the early Earth, providing new insight into the classic Urey-Miller experiment. Ultimately, these results highlight the emergence of theoretical and computational chemistry as a tool for discovery in addition to its traditional role of interpreting experimental findings.« less

  7. Ab initio alpha-alpha scattering.

    PubMed

    Elhatisari, Serdar; Lee, Dean; Rupak, Gautam; Epelbaum, Evgeny; Krebs, Hermann; Lähde, Timo A; Luu, Thomas; Meißner, Ulf-G

    2015-12-03

    Processes such as the scattering of alpha particles ((4)He), the triple-alpha reaction, and alpha capture play a major role in stellar nucleosynthesis. In particular, alpha capture on carbon determines the ratio of carbon to oxygen during helium burning, and affects subsequent carbon, neon, oxygen, and silicon burning stages. It also substantially affects models of thermonuclear type Ia supernovae, owing to carbon detonation in accreting carbon-oxygen white-dwarf stars. In these reactions, the accurate calculation of the elastic scattering of alpha particles and alpha-like nuclei--nuclei with even and equal numbers of protons and neutrons--is important for understanding background and resonant scattering contributions. First-principles calculations of processes involving alpha particles and alpha-like nuclei have so far been impractical, owing to the exponential growth of the number of computational operations with the number of particles. Here we describe an ab initio calculation of alpha-alpha scattering that uses lattice Monte Carlo simulations. We use lattice effective field theory to describe the low-energy interactions of protons and neutrons, and apply a technique called the 'adiabatic projection method' to reduce the eight-body system to a two-cluster system. We take advantage of the computational efficiency and the more favourable scaling with system size of auxiliary-field Monte Carlo simulations to compute an ab initio effective Hamiltonian for the two clusters. We find promising agreement between lattice results and experimental phase shifts for s-wave and d-wave scattering. The approximately quadratic scaling of computational operations with particle number suggests that it should be possible to compute alpha scattering and capture on carbon and oxygen in the near future. The methods described here can be applied to ultracold atomic few-body systems as well as to hadronic systems using lattice quantum chromodynamics to describe the interactions of

  8. The Orbit of 16 Cygni AB

    NASA Astrophysics Data System (ADS)

    Hauser, Heather M.; Marcy, Geoffrey W.

    1999-03-01

    The high orbital eccentricity of the planet around 16 Cygni B may have been induced by the companion star, 16 Cygni A, but only if the stellar binary has sufficiently small periastron distance. The long period of the stellar binary, ~3x10^4 yr, implies that less than 1% of the orbit has transpired since its first astrometric measurements in 1830. Therefore, we compute the orbit from the measured instantaneous velocity and position vectors, based on new precise Doppler and astrometric data, along with the Hipparcos parallax. The only unknown parameter is the separation between AB along the line of sight, constrained by the demand that the orbit be bound, which leads to a family of possible orbits for 16 Cygni AB. The physically plausible orbits have 18,200 yr

  9. Ab initio alpha-alpha scattering

    NASA Astrophysics Data System (ADS)

    Elhatisari, Serdar; Lee, Dean; Rupak, Gautam; Epelbaum, Evgeny; Krebs, Hermann; Lähde, Timo A.; Luu, Thomas; Meißner, Ulf-G.

    2015-12-01

    Processes such as the scattering of alpha particles (4He), the triple-alpha reaction, and alpha capture play a major role in stellar nucleosynthesis. In particular, alpha capture on carbon determines the ratio of carbon to oxygen during helium burning, and affects subsequent carbon, neon, oxygen, and silicon burning stages. It also substantially affects models of thermonuclear type Ia supernovae, owing to carbon detonation in accreting carbon-oxygen white-dwarf stars. In these reactions, the accurate calculation of the elastic scattering of alpha particles and alpha-like nuclei—nuclei with even and equal numbers of protons and neutrons—is important for understanding background and resonant scattering contributions. First-principles calculations of processes involving alpha particles and alpha-like nuclei have so far been impractical, owing to the exponential growth of the number of computational operations with the number of particles. Here we describe an ab initio calculation of alpha-alpha scattering that uses lattice Monte Carlo simulations. We use lattice effective field theory to describe the low-energy interactions of protons and neutrons, and apply a technique called the ‘adiabatic projection method’ to reduce the eight-body system to a two-cluster system. We take advantage of the computational efficiency and the more favourable scaling with system size of auxiliary-field Monte Carlo simulations to compute an ab initio effective Hamiltonian for the two clusters. We find promising agreement between lattice results and experimental phase shifts for s-wave and d-wave scattering. The approximately quadratic scaling of computational operations with particle number suggests that it should be possible to compute alpha scattering and capture on carbon and oxygen in the near future. The methods described here can be applied to ultracold atomic few-body systems as well as to hadronic systems using lattice quantum chromodynamics to describe the interactions of

  10. Visual Measurements of the Multiple Star STT 269 AB-C and ARN 8 AB-D

    NASA Astrophysics Data System (ADS)

    Frey, Thomas; Achildiyev, Irina; Alduenda, Chandra; Bridgeman, Reid; Chamberlain, Rebecca; Hendrix, Alex

    2011-01-01

    This astrometry project was performed by a member of the faculty and students from The Evergreen State College at the 2010 Pine Mountain Observatory Summer Science Research Workshop. This study involved measuring and analyzing the separation and position angles of the multiple star system STT 269 AB-C and ARN 8 AB-D. The astrometric binary AB was treated as a single star. Separation and position angles of the C and D components relative to AB were made. Percent differences between observed and literature values were all less than 1 percent.

  11. CW laser pumped emerald laser

    SciTech Connect

    Shand, M.L.; Lai, S.T.

    1984-02-01

    A CW laser-pumped emerald laser is reported. A 34 percent output power slope efficiency is observed with longitudinal pumping by a krypton laser in a nearly concentric cavity. The laser has been tuned from 728.8 to 809.0 nm. Losses in emerald are larger than those of alexandrite determined in a similar cavity. The present data also indicate that the excited state absorption minimum is shifted from that of alexandrite. 13 references.

  12. Ab Initio Theoretical Investigation of the Frequency Comb Structure in the XUV Regime via High Harmonic Generation

    NASA Astrophysics Data System (ADS)

    Carrera, Juan J.; Son, Sang-Kil; Chu, Shih-I.

    2007-06-01

    We present an ab initio quantum investigation of the frequency comb structure formed within each high harmonic generation (HHG) power spectrum driven by a train of equal- spacing short laser pulses. The HHG power spectrum of atomic hydrogen is calculated by solving the time-dependent Schr"o dinger equation accurately and efficiently by means of the time- dependent generalized pseudospectral method. We found that the frequency comb structure is preserved within each harmonic. In addition, the repetition frequency of the comb laser depends upon the pulse separation τ and the spectral width of each individual comb fringe is inversely proportional to the number of pulses (n) used. However, the global HHG power spectrum pattern depends only upon the laser frequency and intensity used and is not sensitive to the τ and n parameters. Finally, the frequency comb structure persists even in the presence of appreciable ionization.

  13. Laser device

    DOEpatents

    Scott, Jill R.; Tremblay, Paul L.

    2007-07-10

    A laser device includes a target position, an optical component separated a distance J from the target position, and a laser energy source separated a distance H from the optical component, distance H being greater than distance J. A laser source manipulation mechanism exhibits a mechanical resolution of positioning the laser source. The mechanical resolution is less than a spatial resolution of laser energy at the target position as directed through the optical component. A vertical and a lateral index that intersect at an origin can be defined for the optical component. The manipulation mechanism can auto align laser aim through the origin during laser source motion. The laser source manipulation mechanism can include a mechanical index. The mechanical index can include a pivot point for laser source lateral motion and a reference point for laser source vertical motion. The target position can be located within an adverse environment including at least one of a high magnetic field, a vacuum system, a high pressure system, and a hazardous zone. The laser source and an electro-mechanical part of the manipulation mechanism can be located outside the adverse environment. The manipulation mechanism can include a Peaucellier linkage.

  14. Laser device

    DOEpatents

    Scott, Jill R.; Tremblay, Paul L.

    2004-11-23

    A laser device includes a target position, an optical component separated a distance J from the target position, and a laser energy source separated a distance H from the optical component, distance H being greater than distance J. A laser source manipulation mechanism exhibits a mechanical resolution of positioning the laser source. The mechanical resolution is less than a spatial resolution of laser energy at the target position as directed through the optical component. A vertical and a lateral index that intersect at an origin can be defined for the optical component. The manipulation mechanism can auto align laser aim through the origin during laser source motion. The laser source manipulation mechanism can include a mechanical index. The mechanical index can include a pivot point for laser source lateral motion and a reference point for laser source vertical motion. The target position can be located within an adverse environment including at least one of a high magnetic field, a vacuum system, a high pressure system, and a hazardous zone. The laser source and an electro-mechanical part of the manipulation mechanism can be located outside the adverse environment. The manipulation mechanism can include a Peaucellier linkage.

  15. Laser ignition

    DOEpatents

    Early, James W.; Lester, Charles S.

    2003-01-01

    In the apparatus of the invention, a first excitation laser or other excitation light source is used in tandem with an ignitor laser to provide a compact, durable, engine deployable fuel ignition laser system. Reliable fuel ignition is provided over a wide range of fuel conditions by using a single remote excitation light source for one or more small lasers located proximate to one or more fuel combustion zones. In a third embodiment, alternating short and long pulses of light from the excitation light source are directed into the ignitor laser. Each of the embodiments of the invention can be multiplexed so as to provide laser light energy sequentially to more than one ignitor laser.

  16. Solid-State Structure of Abeta (Ab) in Alzheimer's Disease.

    PubMed

    Lu, Junxia; Dong, Xing-Qi; Zhang, Jian-Jun

    2017-02-08

    Alzheimer's disease (AD) has become the most common neurodegenerative disease. The deposition of amyloid fibrils in the brain is one of the characteristics of AD. The fibrils are composed of amyloid-b peptide (Ab). Ab is produced through a series event of protease cleavage of a transmembrane protein called β-amyloid precursor protein (APP) which is commonly expressed in the brain. The production of Ab and its propensity to aggregation to form oligomers and fibrils are believed to initiate a sequence of events that lead to AD dementia. The production of Ab is influenced by the transmembrane domain (TM) structure of APP. The structure variety of different Ab assemblies including oligomers and fibrils may result in different neurotoxicity to the brain. Therefore, enormous work has been carried out to study the structure of APP TM and various Ab assemblies. Solid-state NMR has advantages in studying immobile protein structures with large molecular weight. In this review, solid-state NMR structure of APP TM and different Ab assemblies will be discussed, especially various Ab amyloid fibril structures. This structural information greatly enhanced our understanding in AD, providing fundamental knowledge that will help in finding a treatment for AD.

  17. 34 CFR Appendixes A-B to Part 682 - [Reserved

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 34 Education 3 2010-07-01 2010-07-01 false A Appendixes A-B to Part 682 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF POSTSECONDARY EDUCATION, DEPARTMENT OF EDUCATION FEDERAL FAMILY EDUCATION LOAN (FFEL) PROGRAM Appendixes A-B to Part...

  18. Towards Accurate Ab Initio Predictions of the Spectrum of Methane

    NASA Technical Reports Server (NTRS)

    Schwenke, David W.; Kwak, Dochan (Technical Monitor)

    2001-01-01

    We have carried out extensive ab initio calculations of the electronic structure of methane, and these results are used to compute vibrational energy levels. We include basis set extrapolations, core-valence correlation, relativistic effects, and Born- Oppenheimer breakdown terms in our calculations. Our ab initio predictions of the lowest lying levels are superb.

  19. 34 CFR Appendices A-B to Part 682 - [Reserved

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 34 Education 4 2011-07-01 2011-07-01 false A Appendices A-B to Part 682 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF POSTSECONDARY EDUCATION, DEPARTMENT OF EDUCATION (CONTINUED) FEDERAL FAMILY EDUCATION LOAN (FFEL) PROGRAM Appendices A-B to Part 682...

  20. 34 CFR Appendices A-B to Part 682 - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 34 Education 4 2013-07-01 2013-07-01 false A Appendices A-B to Part 682 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF POSTSECONDARY EDUCATION, DEPARTMENT OF EDUCATION (CONTINUED) FEDERAL FAMILY EDUCATION LOAN (FFEL) PROGRAM Appendices A-B to Part 682...

  1. 34 CFR Appendices A-B to Part 682 - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 34 Education 4 2012-07-01 2012-07-01 false A Appendices A-B to Part 682 Education Regulations of the Offices of the Department of Education (Continued) OFFICE OF POSTSECONDARY EDUCATION, DEPARTMENT OF EDUCATION (CONTINUED) FEDERAL FAMILY EDUCATION LOAN (FFEL) PROGRAM Appendices A-B to Part 682...

  2. 10 CFR Appendices A-B to Subpart F... - [Reserved

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 10 Energy 3 2013-01-01 2013-01-01 false A Appendices A-B to Subpart F of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Reserved Appendices A-B to Subpart F of Part 430...

  3. 10 CFR Appendices A-B to Subpart F... - [Reserved

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 3 2012-01-01 2012-01-01 false A Appendices A-B to Subpart F of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Reserved Appendices A-B to Subpart F of Part 430...

  4. 10 CFR Appendices A-B to Subpart F... - [Reserved

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 10 Energy 3 2014-01-01 2014-01-01 false A Appendices A-B to Subpart F of Part 430 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION ENERGY CONSERVATION PROGRAM FOR CONSUMER PRODUCTS Reserved Appendices A-B to Subpart F of Part 430...

  5. Undoing Gender through Legislation and Schooling: The Case of AB 537 and AB 394 in California, USA

    ERIC Educational Resources Information Center

    Knotts, Greg

    2009-01-01

    This article investigates California laws AB 537: The Student Safety and Violence Prevention Act of 2000, and the recently enacted AB 394: Safe Place to Learn Act. Both demand that gender identity and sexual orientation be added to the lexicon of anti-harassment protection in public education. However, despite these progressive measures, schools…

  6. Reactions of pulsed laser produced boron and nitrogen atoms in a condensing argon stream

    NASA Astrophysics Data System (ADS)

    Andrews, Lester; Hassanzadeh, Parviz; Burkholder, Thomas R.; Martin, J. M. L.

    1993-01-01

    Reactions of pulsed laser produced B and N atoms at high dilution in argon favored diboron species. At low laser power with minimum radiation, the dominant reaction with N2 gave BBNN (3Π). At higher laser power, reactions of N atoms contributed the B2N (2B2), BNB (2Σu+), NNBN (1Σ+), and BNBN (3Π) species. These new transient molecules were identified from mixed isotopic patterns, isotopic shifts, and ab initio calculations of isotopic spectra.

  7. Low-level laser effects on bacterial cultures submitted to heat stress

    NASA Astrophysics Data System (ADS)

    Gonçalves, E. M.; Guimarães, O. R.; Geller, M.; Paoli, F.; Fonseca, A. S.

    2016-06-01

    Low-level lasers have been used worldwide to treat a number of diseases, pain relief, and wound healing. Some studies demonstrated that low-level laser radiations induce effects depending on the physiological state and DNA repair mechanisms of cells. In this work we evaluated the effects of low-level red and infrared lasers on Escherichia coli cells deficient in SOS responses submitted to heat stress. Exponential and stationary E. coli cultures of wild type (AB1157), RecA deficient (AB2463) and LexA deficient (AB2494), both SOS response deficient, were exposed to low-level red and infrared lasers at different fluences and submitted to heat stress (42 °C, 20 min). After that, cell survival and morphology were evaluated. Previous exposure to red, but not infrared lasers, increases survival fractions and decreases the area ratios of E. coli AB1157 cells submitted to heat stress. Our research suggests that a low-level red laser increases cell viability and protects cells from morphological alteration in E. coli cultures submitted to heat stress depending on laser wavelength and SOS response.

  8. Structural and Biophysical Characterization of Bacillus thuringiensis Insecticidal Proteins Cry34Ab1 and Cry35Ab1

    PubMed Central

    Kelker, Matthew S.; Berry, Colin; Evans, Steven L.; Pai, Reetal; McCaskill, David G.; Wang, Nick X.; Russell, Joshua C.; Baker, Matthew D.; Yang, Cheng; Pflugrath, J. W.; Wade, Matthew; Wess, Tim J.; Narva, Kenneth E.

    2014-01-01

    Bacillus thuringiensis strains are well known for the production of insecticidal proteins upon sporulation and these proteins are deposited in parasporal crystalline inclusions. The majority of these insect-specific toxins exhibit three domains in the mature toxin sequence. However, other Cry toxins are structurally and evolutionarily unrelated to this three-domain family and little is known of their three dimensional structures, limiting our understanding of their mechanisms of action and our ability to engineer the proteins to enhance their function. Among the non-three domain Cry toxins, the Cry34Ab1 and Cry35Ab1 proteins from B. thuringiensis strain PS149B1 are required to act together to produce toxicity to the western corn rootworm (WCR) Diabrotica virgifera virgifera Le Conte via a pore forming mechanism of action. Cry34Ab1 is a protein of ∼14 kDa with features of the aegerolysin family (Pfam06355) of proteins that have known membrane disrupting activity, while Cry35Ab1 is a ∼44 kDa member of the toxin_10 family (Pfam05431) that includes other insecticidal proteins such as the binary toxin BinA/BinB. The Cry34Ab1/Cry35Ab1 proteins represent an important seed trait technology having been developed as insect resistance traits in commercialized corn hybrids for control of WCR. The structures of Cry34Ab1 and Cry35Ab1 have been elucidated to 2.15 Å and 1.80 Å resolution, respectively. The solution structures of the toxins were further studied by small angle X-ray scattering and native electrospray ion mobility mass spectrometry. We present here the first published structure from the aegerolysin protein domain family and the structural comparisons of Cry34Ab1 and Cry35Ab1 with other pore forming toxins. PMID:25390338

  9. Ab initio two-component Ehrenfest dynamics

    SciTech Connect

    Ding, Feizhi; Goings, Joshua J.; Liu, Hongbin; Lingerfelt, David B.; Li, Xiaosong

    2015-09-21

    We present an ab initio two-component Ehrenfest-based mixed quantum/classical molecular dynamics method to describe the effect of nuclear motion on the electron spin dynamics (and vice versa) in molecular systems. The two-component time-dependent non-collinear density functional theory is used for the propagation of spin-polarized electrons while the nuclei are treated classically. We use a three-time-step algorithm for the numerical integration of the coupled equations of motion, namely, the velocity Verlet for nuclear motion, the nuclear-position-dependent midpoint Fock update, and the modified midpoint and unitary transformation method for electronic propagation. As a test case, the method is applied to the dissociation of H{sub 2} and O{sub 2}. In contrast to conventional Ehrenfest dynamics, this two-component approach provides a first principles description of the dynamics of non-collinear (e.g., spin-frustrated) magnetic materials, as well as the proper description of spin-state crossover, spin-rotation, and spin-flip dynamics by relaxing the constraint on spin configuration. This method also holds potential for applications to spin transport in molecular or even nanoscale magnetic devices.

  10. Ab initio phase diagram of iridium

    NASA Astrophysics Data System (ADS)

    Burakovsky, L.; Burakovsky, N.; Cawkwell, M. J.; Preston, D. L.; Errandonea, D.; Simak, S. I.

    2016-09-01

    The phase diagram of iridium is investigated using the Z methodology. The Z methodology is a technique for phase diagram studies that combines the direct Z method for the computation of melting curves and the inverse Z method for the calculation of solid-solid phase boundaries. In the direct Z method, the solid phases along the melting curve are determined by comparing the solid-liquid equilibrium boundaries of candidate crystal structures. The inverse Z method involves quenching the liquid into the most stable solid phase at various temperatures and pressures to locate a solid-solid boundary. Although excellent agreement with the available experimental data (to ≲65 GPa) is found for the equation of state (EOS) of Ir, it is the third-order Birch-Murnaghan EOS with B0'=5 rather than the more widely accepted B0'=4 that describes our ab initio data to higher pressure (P ) . Our results suggest the existence of a random-stacking hexagonal close-packed structure of iridium at high P . We offer an explanation for the 14-layer hexagonal structure observed in experiments by Cerenius and Dubrovinsky.

  11. Ab Initio Quantum Simulations of Liquid Water

    NASA Astrophysics Data System (ADS)

    Gergely, John; Ceperley, David; Gygi, Francois

    2007-03-01

    Some recent efforts at simulating liquid water have employed ``ab initio'' molecular dynamics (AIMD) methods with forces from a version of density functional theory (DFT) and, in some cases, imaginary-time path integrals (PI) to study quantum effects of the protons. Although AIMD methods have met with many successes, errors introduced by the approximations and choices of simulation parameters are not fully understood. We report on path integral Monte Carlo (PIMC) studies of liquid water using DFT energies that provide quantitative benchmarks for PI-AIMD work. Specifically, we present convergence studies of the path integrals and address whether the Trotter number can be reduced by improving the form of the (approximate) action. Also, we assess 1) whether typical AIMD simulations are sufficiently converged in simulation time, i.e., if there is reason to suspect that nonergodic behavior in PI-AIMD methods leads to poor convergence, and 2) the relative efficiency of the methods. E. Schwegler, J.C. Grossman, F. Gygi, G. Galli, J. Chem. Phys 121, 5400 (2004).

  12. Ab initio calculations of nitramine dimers

    NASA Astrophysics Data System (ADS)

    Koh-Fallet, Sharon; Schweigert, Igor

    2015-06-01

    Elevated temperatures and pressures are typically thought to have opposing effects on the reaction channels of nitramine decomposition. These high temperatures promote reactions with loose transition structures (positive activation entropies and volumes), such as N-N bond homolysis. Elevated pressures promote reactions with tight transition structures (negative activation entropies and volumes), such as intramolecular and intermolecular H transfer. However, no quantitative data exists regarding the range of temperatures and pressures at which these effects become pronounced. We are pursuing ab initio calculations of the corresponding unimolecular and bimolecular transition structures with the objective of estimating the relevant thermochemical parameters and quantifying the effects of elevated temperature and pressures on the corresponding rate constants. Here, we present density functional theory and complete active space calculations of gas-phase molecular dimers of nitramines as an intermediate step toward modeling transition structures directly in the condensed phase. This work was supported by the Naval Research Laboratory via the American Society for Engineering and Education and by the Office of Naval Research, both directly and through the Naval Research Laboratory.

  13. Ab-initio study of hexagonal apatites

    NASA Astrophysics Data System (ADS)

    Calderin, Lazaro; Stott, Malcom J.

    2001-03-01

    A silicon stabilized mixture of calcium phosphate phases has been recognized as playing an important role in actively resorbable coatings and in ceramics as bone materials. The nature of this material is being investigated using a variety of techniques including a combination of crystallographic analysis of measured x-ray diffraction spectra, and ab initio quantum mechanics simulations. We have used all-electron, density functional based calculations to investigate a group of hexagonal apatites. The fully relaxed crystallographic structures of hydroxyapatite, and related apatites have been obtained. We will present the results and discuss the nature of the bonding in these materials. The x-ray diffraction pattern and the infra-red spectra have also been obtained and will be compared with experiment. Acknowledgments:This work is part of a collaboration with the Applied Ceramics group of M.Sayer, and with Millenium Biologix Inc. Support of the NSERC of Canada through the award of a Co-operative R & D grant to the collaboration is acknowledged.

  14. Current techniques for AB0-incompatible living donor liver transplantation

    PubMed Central

    Rummler, Silke; Bauschke, Astrid; Bärthel, Erik; Jütte, Heike; Maier, Katrin; Ziehm, Patrice; Malessa, Christina; Settmacher, Utz

    2016-01-01

    For a long time, it was considered medical malpractice to neglect the blood group system during transplantation. Because there are far more patients waiting for organs than organs available, a variety of attempts have been made to transplant AB0-incompatible (AB0i) grafts. Improvements in AB0i graft survival rates have been achieved with immunosuppression regimens and plasma treatment procedures. Nevertheless, some grafts are rejected early after AB0i living donor liver transplantation (LDLT) due to antibody mediated rejection or later biliary complications that affect the quality of life. Therefore, the AB0i LDLT is an option only for emergency situations, and it requires careful planning. This review compares the treatment possibilities and their effect on the patients’ graft outcome from 2010 to the present. We compared 11 transplant center regimens and their outcomes. The best improvement, next to plasma treatment procedures, has been reached with the prophylactic use of rituximab more than one week before AB0i LDLT. Unfortunately, no standardized treatment protocols are available. Each center treats its patients with its own scheme. Nevertheless, the transplant results are homogeneous. Due to refined treatment strategies, AB0i LDLT is a feasible option today and almost free of severe complications. PMID:27683633

  15. Boiling treatment of ABS and PS plastics for flotation separation.

    PubMed

    Wang, Chong-qing; Wang, Hui; Wu, Bao-xin; Liu, Qun

    2014-07-01

    A new physical method, namely boiling treatment, was developed to aid flotation separation of acrylonitrile-butadiene-styrene (ABS) and polystyrene (PS) plastics. Boiling treatment was shown to be effective in producing a hydrophilic surface on ABS plastic. Fourier Transform Infrared analysis was conducted to investigate the mechanism of boiling treatment of ABS. Surface rearrangement of polymer may be responsible for surface change of boiling treated ABS, and the selective influence of boiling treatment on the floatability of boiling treated plastics may be attributed to the difference in the molecular mobility of polymer chains. The effects of flotation time, frother concentration and particle size on flotation behavior of simple plastic were investigated. Based on flotation behavior of simple plastic, flotation separation of boiling treatment ABS and PS with different particle sizes was achieved efficiently. The purity of ABS and PS was up to 99.78% and 95.80%, respectively; the recovery of ABS and PS was up to 95.81% and 99.82%, respectively. Boiling treatment promotes the industrial application of plastics flotation and facilitates plastic recycling.

  16. Polymorphism in self-assembled AB6 binary nanocrystal superlattices.

    PubMed

    Ye, Xingchen; Chen, Jun; Murray, Christopher B

    2011-03-02

    We report the formation and systematic struc-tural characterization of a new AB(6) polymorph with the body-centered cubic (bcc) symmetry in binary nanocrystal superlattices (BNSLs). The bcc-AB(6) phase, lacking any atomic analogue, is isomorphic to certain alkali-metal intercalation compounds of fullerene C(60) (e.g., K(6)C(60)). On the basis of the space-filling principle, we further tailor the relative phase stability of the two AB(6) polymorphs-CaB(6) and bcc-AB(6)-from coexistence to phase-pure bcc-AB(6), highlighting the entropic effect as the main driving-force of the self-organization of BNSLs. We also discuss the implication of surface topology studies and the observation of twinning and preferential orientation in bcc-AB(6) on the growth mechanism of BNSLs. Furthermore, the connection between the bcc-AB(6) phase and the (3(2).4.3.4) Archimedean tiling shows the promise of further exploration on the structural diversity (both periodic and aperiodic) in this emerging class of metamaterials. The identification and the ability to tune the relative phase stability of polymorphic structures provide a unique opportunity to engineer the interparticle coupling through controlled clustering and/or interconnectivity of sublattice in BNSLs with identical stoichiometry.

  17. SdAb heterodimer formation using leucine zippers

    NASA Astrophysics Data System (ADS)

    Goldman, Ellen R.; Anderson, George P.; Brozozog-Lee, P. Audrey; Zabetakis, Dan

    2013-05-01

    Single domain antibodies (sdAb) are variable domains cloned from camel, llama, or shark heavy chain only antibodies, and are among the smallest known naturally derived antigen binding fragments. SdAb derived from immunized llamas are able to bind antigens with high affinity, and most are capable of refolding after heat or chemical denaturation to bind antigen again. We hypothesized that the ability to produce heterodimeric sdAb would enable reagents with the robust characteristics of component sdAb, but with dramatically improved overall affinity through increased avidity. Previously we had constructed multimeric sdAb by genetically linking sdAb that bind non-overlapping epitopes on the toxin, ricin. In this work we explored a more flexible approach; the construction of multivalent binding reagents using multimerization domains. We expressed anti-ricin sdAb that recognize different epitopes on the toxin as fusions with differently charged leucine zippers. When the initially produced homodimers are mixed the leucine zipper domains will pair to produce heterodimers. We used fluorescence resonance energy transfer to confirm heterodimer formation. Surface plasmon resonance, circular dichroism, enzyme linked immunosorbent assays, and fluid array assays were used to characterize the multimer constructs, and evaluate their utility in toxin detection.

  18. Biocavity Lasers

    SciTech Connect

    Gourley, P.L.; Gourley, M.F.

    2000-10-05

    Laser technology has advanced dramatically and is an integral part of today's healthcare delivery system. Lasers are used in the laboratory analysis of human blood samples and serve as surgical tools that kill, burn or cut tissue. Recent semiconductor microtechnology has reduced the size o f a laser to the size of a biological cell or even a virus particle. By integrating these ultra small lasers with biological systems, it is possible to create micro-electrical mechanical systems that may revolutionize health care delivery.

  19. Laser apparatus

    DOEpatents

    Lewis, Owen; Stogran, Edmund M.

    1980-01-01

    Laser apparatus is described wherein an active laser element, such as the disc of a face-pumped laser, is mounted in a housing such that the weight of the element is supported by glass spheres which fill a chamber defined in the housing between the walls of the housing and the edges of the laser element. The uniform support provided by the spheres enable the chamber and the pump side of the laser element to be sealed without affecting the alignment or other optical properties of the laser element. Cooling fluid may be circulated through the sealed region by way of the interstices between the spheres. The spheres, and if desired also the cooling fluid may contain material which absorbs radiation at the wavelength of parasitic emissions from the laser element. These parasitic emissions enter the spheres through the interface along the edge surface of the laser element and it is desirable that the index of refraction of the spheres and cooling fluid be near the index of refraction of the laser element. Thus support, cooling, and parasitic suppression functions are all accomplished through the use of the arrangement.

  20. Laser ignition

    DOEpatents

    Early, James W.; Lester, Charles S.

    2002-01-01

    In the apparatus of the invention, a first excitation laser or other excitation light source capable of producing alternating beams of light having different wavelengths is used in tandem with one or more ignitor lasers to provide a compact, durable, engine deployable fuel ignition laser system. Reliable fuel ignition is provided over a wide range of fuel conditions by using the single remote excitation light source for pumping one or more small lasers located proximate to one or more fuel combustion zones with alternating wavelengths of light.

  1. [Laptop-thighs--laptop-induced erythema ab igne].

    PubMed

    Andersen, Flemming

    2010-02-22

    A 15-year-old boy presented with a livedo reticulares-like eruption on both thighs, but more pronounced on the left. The history revealed the diagnosis: ''Laptop-thighs'' i.e. laptop-induced erythema ab igne, the result of months of daily use of the laptop while placed on the thighs. Erythema ab igne is traditionally a disease of the elderly, caused by overuse of heat sources on tender backs etc. The recent popularity of laptop computers and other electronics emitting strong heat has made erythema ab igne a problem also in younger generations.

  2. [Kidney allotransplantation from the AB0-incompatible donors].

    PubMed

    Goriaĭnov, V A; Kaabak, M M; Babenko, N N; Shishlo, L A; Morozova, M M; Ragimov, A A; Dazhkova, N G; Salimov, E L

    2013-01-01

    The experience of 28 kidney allotransplantations from the AB0-incompatible donors was analyzed. The comparative group consisted of 38 patients, who received the AB0-compatible organ. The results were assessed using the following parameters: renal function, morphology of the biopsy samples of the transplanted kidney and actuary survival of the recipients with functioning transplants in both groups. The comparative analysis showed no significant difference between the two groups, giving the right to consider the kidney allotransplantation from the AB0-incompatible donors safe and effective.

  3. A Method to the mAbNESS?

    PubMed Central

    McCAIN, JACK

    2004-01-01

    Next year marks the 30th anniversary of the discovery by Milstein and Köhler of a technique for producing monoclonal antibodies (mAbs). This achievement, for which they won the 1984 Nobel Prize, also helped launch the biotech industry. With the recent approval of ImClone’s Erbitux and Genentech’s Avastin, 17 mAbs have been approved by the U.S. Food and Drug Administration for therapeutic use. What’s the rationale behind mAb treatment? PMID:23372500

  4. Multimegajoule laser design. [Glass lasers

    SciTech Connect

    Manes, K.R.; Ozarski, R.G.; Hagen, W.F.; Holzrichtr, J.F.

    1985-08-01

    New technologies make multimegajoule glass lasers economically feasible. We have devised new laser architectures using harmonic switchout, target-plane holographic injection, phase conjugation, continuous apodization, and higher amplifier efficiencies. Our plan for building a multimegajoule laser for a recurring cost under $300 million relies on the following manufacturing economies of scale: high-volume glass production, rapid harmonic-crystal growth, capacitor sizing and packing to increase energy capacity, and part standardization.

  5. Skutterudites under pressure: An ab initio study

    SciTech Connect

    Ram, Swetarekha; Kanchana, V.; Valsakumar, M. C.

    2014-03-07

    Ab initio results on the band structure, density of states, and Fermi surface (FS) properties of LaRu{sub 4}X{sub 12} (X = P, As, Sb) are presented at ambient pressure as well as under compression. The analysis of density of states reveals the major contribution at the Fermi level to be mainly from the Ru-d and X-p states. We have a complicated Fermi surface with both electron and hole characters for all the three compounds which is derived mainly from the Ru-d and X-p states. There is also a simpler FS with hole character derived from the P-p{sub z} orbital for LaRu{sub 4}P{sub 12} and Ru-d{sub z{sup 2}} orbital in the case of As and Sb containing compounds. More interestingly, Fermi surface nesting feature is observed only in the case of the LaRu{sub 4}P{sub 12}. Under compression, we observe the topology of the complicated FS sheet of LaRu{sub 4}As{sub 12} to change around V/V{sub 0} = 0.85, leading to a behaviour similar to that of a multiband superconductor, and in addition, we have two more hole pockets centered around Γ at V/V{sub 0} = 0.8 for the same compound. Apart from this, we find the hole pocket to vanish at V/V{sub 0} = 0.8 in the case of LaRu{sub 4}Sb{sub 12} and the opening of the complicated FS sheet gets reduced. The de Haas van Alphen calculation shows the number of extremal orbits in the complicated sheet to change in As and Sb containing compounds under compression, where we also observe the FS topology to change.

  6. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1989-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency and the like, and provides spectral analysis of a laser beam.

  7. Heterodyne laser spectroscopy system

    DOEpatents

    Wyeth, Richard W.; Paisner, Jeffrey A.; Story, Thomas

    1990-01-01

    A heterodyne laser spectroscopy system utilizes laser heterodyne techniques for purposes of laser isotope separation spectroscopy, vapor diagnostics, processing of precise laser frequency offsets from a reference frequency, and provides spectral analysis of a laser beam.

  8. Stem Cell Physics. Laser Manipulation of Blood Types: Laser-Stripping-Away of Red Blood Cell Surface Antigens

    NASA Astrophysics Data System (ADS)

    Stefan, V. Alexander

    2014-03-01

    A novel mechanism of importance for the transfusion medicine[2] is proposed. The interaction of ultrashort wavelength multilaser beams with the flowing blood thin films can lead to a conversion of blood types A, B, and AB into O type.[3] The stripping away of antigens is done by the scanning-multiple-lasers of a high repetition rate in the blue-purple frequency domain. The guiding-lasers are in the red-green frequency domain. The laser force, (parametric interaction with the antigen eigen-oscillation),[4] upon the antigen protein molecule must exceed its weight. Supported by Nikola Tesla Labs, La Jolla, CA.

  9. Co Laser.

    DTIC Science & Technology

    1976-01-01

    newsletter setvice covering the moj-t recent research findings in 25 areas of industrial, technological , and sociological interest— invaluable information...service will be backdated to furnish you microfiche of reports issued earlier. Because of contractual arrangements with several Special Technology ...pressure electrical CO laser and, thereby, to develop the technology for high pres- sure, scalable, electric CO lasers exhibiting properties of

  10. Comparison of In Vitro Activity of Liposomal Nystatin against Aspergillus Species with Those of Nystatin, Amphotericin B (AB) Deoxycholate, AB Colloidal Dispersion, Liposomal AB, AB Lipid Complex, and Itraconazole

    PubMed Central

    Oakley, Karen L.; Moore, Caroline B.; Denning, David W.

    1999-01-01

    We compared the in vitro activity of liposomal nystatin (Nyotran) with those of other antifungal agents against 60 Aspergillus isolates. Twelve isolates were itraconazole resistant. For all isolates, geometric mean (GM) MICs (micrograms per milliliter) were 2.30 for liposomal nystatin, 0.58 for itraconazole, 0.86 for amphotericin B (AB) deoxycholate, 9.51 for nystatin, 2.07 for liposomal AB, 2.57 for AB lipid complex, and 0.86 for AB colloidal dispersion. Aspergillus terreus (GM, 8.72 μg/ml; range, 8 to 16 μg/ml) was significantly less susceptible to all of the polyene drugs than all other species (P = 0.0001). PMID:10223948

  11. Ab Initio: And a New Era of Airline Pilot Training.

    ERIC Educational Resources Information Center

    Gesell, Laurence E.

    1995-01-01

    Expansion of air transportation and decreasing numbers seeking pilot training point to a shortage of qualified pilots. Ab initio training, in which candidates with no flight time are trained to air transport proficiency, could resolve the problem. (SK)

  12. Tensile deformation mechanisms of ABS/PMMA/EMA blends

    NASA Astrophysics Data System (ADS)

    Wang, S. H.; Gao, J.; Lin, S. X.; Zhang, P.; Huang, J.; Xu, L. L.

    2014-08-01

    The tensile deformation mechanisms of acrylonitrile - butadiene - styrene (ABS) / polymethyl methacrylate (PMMA) blends toughened by ethylene methacrylate (EMA) copolymer was investigated by analysing the fracture morphology. ABS/PMMA was blended with EMA copolymer by melt mixing technique using co-rotating twin extruder. Tensile tests show that the elongation at break of ABS/PMMA blends can be efficiently improved with the increase in EMA content. Fracture morphology of ABS/PMMA/EMA blends reveals that the material yield induced by hollowing-out of EMA particles and its propagation into yield zone is the main toughening mechanism. Moreover, the appearance that EMA particles in the central area are given priority to hollowing-out may be related to the skin-core structure of the injection moulded parts caused by the different cooling rate between surface and inside in the process of injection moulding.

  13. Laser device

    DOEpatents

    Scott, Jill R.; Tremblay, Paul L.

    2008-08-19

    A laser device includes a virtual source configured to aim laser energy that originates from a true source. The virtual source has a vertical rotational axis during vertical motion of the virtual source and the vertical axis passes through an exit point from which the laser energy emanates independent of virtual source position. The emanating laser energy is collinear with an orientation line. The laser device includes a virtual source manipulation mechanism that positions the virtual source. The manipulation mechanism has a center of lateral pivot approximately coincident with a lateral index and a center of vertical pivot approximately coincident with a vertical index. The vertical index and lateral index intersect at an index origin. The virtual source and manipulation mechanism auto align the orientation line through the index origin during virtual source motion.

  14. Ab initio determination of effective electron-phonon coupling factor in copper

    NASA Astrophysics Data System (ADS)

    Ji, Pengfei; Zhang, Yuwen

    2016-04-01

    The electron temperature Te dependent electron density of states g (ε), Fermi-Dirac distribution f (ε), and electron-phonon spectral function α2 F (Ω) are computed as prerequisites before achieving effective electron-phonon coupling factor Ge-ph. The obtained Ge-ph is implemented into a molecular dynamics (MD) and two-temperature model (TTM) coupled simulation of femtosecond laser heating. By monitoring temperature evolutions of electron and lattice subsystems, the result utilizing Ge-ph from ab initio calculation shows a faster decrease of Te and increase of Tl than those using Ge-ph from phenomenological treatment. The approach of calculating Ge-ph and its implementation into MD-TTM simulation is applicable to other metals.

  15. Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

    DOE PAGES

    Xiao, Haiyan Y.; Weber, William J.; Zhang, Yanwen; ...

    2015-02-09

    In this study, the response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are formed, and this anion disorder further drives cation disorder that leads to an amorphous state. This study provides new insights into the mechanisms of amorphization in titanate pyrochlores under laser,more » electron and ion irradiations.« less

  16. Time-domain ab initio modeling of photoinduced dynamics at nanoscale interfaces.

    PubMed

    Wang, Linjun; Long, Run; Prezhdo, Oleg V

    2015-04-01

    Nonequilibrium processes involving electronic and vibrational degrees of freedom in nanoscale materials are under active experimental investigation. Corresponding theoretical studies are much scarcer. The review starts with the basics of time-dependent density functional theory, recent developments in nonadiabatic molecular dynamics, and the fusion of the two techniques. Ab initio simulations of this kind allow us to directly mimic a great variety of time-resolved experiments performed with pump-probe laser spectroscopies. The focus is on the ultrafast photoinduced charge and exciton dynamics at interfaces formed by two complementary materials. We consider purely inorganic materials, inorganic-organic hybrids, and all organic interfaces, involving bulk semiconductors, metallic and semiconducting nanoclusters, graphene, carbon nanotubes, fullerenes, polymers, molecular crystals, molecules, and solvent. The detailed atomistic insights available from time-domain ab initio studies provide a unique description and a comprehensive understanding of the competition between electron transfer, thermal relaxation, energy transfer, and charge recombination processes. These advances now make it possible to directly guide the development of organic and hybrid solar cells, as well as photocatalytic, electronic, spintronic, and other devices relying on complex interfacial dynamics.

  17. Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces

    NASA Astrophysics Data System (ADS)

    Wang, Linjun; Long, Run; Prezhdo, Oleg V.

    2015-04-01

    Nonequilibrium processes involving electronic and vibrational degrees of freedom in nanoscale materials are under active experimental investigation. Corresponding theoretical studies are much scarcer. The review starts with the basics of time-dependent density functional theory, recent developments in nonadiabatic molecular dynamics, and the fusion of the two techniques. Ab initio simulations of this kind allow us to directly mimic a great variety of time-resolved experiments performed with pump-probe laser spectroscopies. The focus is on the ultrafast photoinduced charge and exciton dynamics at interfaces formed by two complementary materials. We consider purely inorganic materials, inorganic-organic hybrids, and all organic interfaces, involving bulk semiconductors, metallic and semiconducting nanoclusters, graphene, carbon nanotubes, fullerenes, polymers, molecular crystals, molecules, and solvent. The detailed atomistic insights available from time-domain ab initio studies provide a unique description and a comprehensive understanding of the competition between electron transfer, thermal relaxation, energy transfer, and charge recombination processes. These advances now make it possible to directly guide the development of organic and hybrid solar cells, as well as photocatalytic, electronic, spintronic, and other devices relying on complex interfacial dynamics.

  18. Comparative Proteome of Acetobacter pasteurianus Ab3 During the High Acidity Rice Vinegar Fermentation.

    PubMed

    Wang, Zhe; Zang, Ning; Shi, Jieyan; Feng, Wei; Liu, Ye; Liang, Xinle

    2015-12-01

    As a traditional Asian food for several centuries, vinegar is known to be produced by acetic acid bacteria. The Acetobacter species is the primary starter for vinegar fermentation and has evolutionarily acquired acetic acid resistance, in which Acetobacter pasteurianus Ab3 is routinely used for industrial production of rice vinegar with a high acidity (9 %, w/v). In contrast to the documented short-term and low acetic acid effects on A. pasteurianus, here we investigated the molecular and cellular signatures of long-term and high acetic acid responses by proteomic profiling with bidimensional gel electrophoresis and matrix-assisted laser desorption ionization time-of-flight mass spectrometry (MALDI TOF/MS) analyses. Protein spots of interest were selected based on the threshold ANOVA p value of 0.05 and minimal twofold of differential expression, leading to the identification of 26 proteins that are functionally enriched in oxidoreductase activity, cell membrane, and metabolism. The alterations in protein functioning in respiratory chain and protein denaturation may underlay cellular modifications at the outer membrane. Significantly, we found that at higher acidity fermentation phase, the A. pasteurianus Ab3 cells would adapt to distinct physiological processes from that of an ordinary vinegar fermentation with intermediate acidity, indicating increasing energy requirement and dependency of membrane integrity during the transition of acetic acid production. Together, our study provided new insights into the adaptation mechanisms in A. pasteurianus to high acetic acid environments and yield novel regulators and key pathways during the development of acetic acid resistance.

  19. NO sub 3 , the study of molecular properties and photodissociation by ab initio method, spectroscopy, and translational spectroscopy

    SciTech Connect

    Kim, B.

    1990-10-01

    This report discusses the following topics: molecular structure of NO{sub 3} radical studied by laser induced fluorescence; photodissociation and fluorescence spectroscopy of NO{sub 3} in molecular beam; vertical electronic spectrum of NO{sub 3}:{sup 2}A{prime}{sub 2}, {sup 2}E{double prime}({sup 2}A{sub 2}{sup 2}B{sub 1}), and {sup 2}E{prime} states; and Ab initio study of the vibrational spectra of NO{sub 3}.

  20. Characterization of Human AB Serum for Mesenchymal Stromal Cell Expansion

    PubMed Central

    dos Santos, Vanessa Tieko Marques; Mizukami, Amanda; Orellana, Maristela Delgado; Caruso, Samia Rigotto; da Silva, Fernanda Borges; Traina, Fabiola; de Lima Prata, Karen; Covas, Dimas Tadeu; Swiech, Kamilla

    2017-01-01

    Background So far, using human blood-derived components appears to be the most efficient and safest approach available for mesenchymal stromal cell (MSC) expansion. In this paper, we report on the characterization of human AB serum (AB HS) produced by using different plasma sources, and its use as an alternative supplement to MSC expansion. Methods Two plasma sources were used for AB HS production: plasma removed from whole blood after 24 h of collection (PC > 24 h) and plasma, cryoprecipitate reduced (PCryoR). The biochemical profile and quality of the produced AB HS batches were analyzed and their ability to support MSC cell growth after different storage times (0, 3, 6, 9 and 12 months) was evaluated. Results The two plasma sources used showed similar characteristics regarding biochemical constituents and quality parameters and were effective in promoting MSC growth. MSCs cultured in medium supplemented with 10% AB HS presented similar doubling times and cumulative population doublings when compared to the 10% fetal bovine serum(FBS)-supplemented culture while maintaining immunophenotype, functional features, and cytogenetic profile. Conclusion Overall, the results indicate that AB HS is an efficient FBS substitute and can be used for at least 12 months after production without impairing cell proliferation and quality. PMID:28275329

  1. Ab initio no core shell model

    SciTech Connect

    Barrett, Bruce R.; Navrátil, Petr; Vary, James P.

    2012-11-17

    A long-standing goal of nuclear theory is to determine the properties of atomic nuclei based on the fundamental interactions among the protons and neutrons (i.e., nucleons). By adopting nucleon-nucleon (NN), three-nucleon (NNN) and higher-nucleon interactions determined from either meson-exchange theory or QCD, with couplings fixed by few-body systems, we preserve the predictive power of nuclear theory. This foundation enables tests of nature's fundamental symmetries and offers new vistas for the full range of complex nuclear phenomena. Basic questions that drive our quest for a microscopic predictive theory of nuclear phenomena include: (1) What controls nuclear saturation; (2) How the nuclear shell model emerges from the underlying theory; (3) What are the properties of nuclei with extreme neutron/proton ratios; (4) Can we predict useful cross sections that cannot be measured; (5) Can nuclei provide precision tests of the fundamental laws of nature; and (6) Under what conditions do we need QCD to describe nuclear structure, among others. Along with other ab initio nuclear theory groups, we have pursued these questions with meson-theoretical NN interactions, such as CD-Bonn and Argonne V18, that were tuned to provide high-quality descriptions of the NN scattering phase shifts and deuteron properties. We then add meson-theoretic NNN interactions such as the Tucson-Melbourne or Urbana IX interactions. More recently, we have adopted realistic NN and NNN interactions with ties to QCD. Chiral perturbation theory within effective field theory ({chi}EFT) provides us with a promising bridge between QCD and hadronic systems. In this approach one works consistently with systems of increasing nucleon number and makes use of the explicit and spontaneous breaking of chiral symmetry to expand the strong interaction in terms of a dimensionless constant, the ratio of a generic small momentum divided by the chiral symmetry breaking scale taken to be about 1 GeV/c. The resulting NN

  2. High throughput laser processing

    SciTech Connect

    Harley, Gabriel; Pass, Thomas; Cousins, Peter John; Viatella, John

    2016-12-27

    A solar cell is formed using a solar cell ablation system. The ablation system includes a single laser source and several laser scanners. The laser scanners include a master laser scanner, with the rest of the laser scanners being slaved to the master laser scanner. A laser beam from the laser source is split into several laser beams, with the laser beams being scanned onto corresponding wafers using the laser scanners in accordance with one or more patterns. The laser beams may be scanned on the wafers using the same or different power levels of the laser source.

  3. Homologous recombination mediated by the mycobacterial AdnAB helicase without end resection by the AdnAB nucleases

    PubMed Central

    Gupta, Richa; Unciuleac, Mihaela-Carmen; Shuman, Stewart; Glickman, Michael S.

    2017-01-01

    Current models of bacterial homologous recombination (HR) posit that extensive resection of a DNA double-strand break (DSB) by a multisubunit helicase–nuclease machine (e.g. RecBCD, AddAB or AdnAB) generates the requisite 3′ single-strand DNA substrate for RecA-mediated strand invasion. AdnAB, the helicase–nuclease implicated in mycobacterial HR, consists of two subunits, AdnA and AdnB, each composed of an N-terminal ATPase domain and a C-terminal nuclease domain. DSB unwinding by AdnAB in vitro is stringently dependent on the ATPase activity of the ‘lead’ AdnB motor translocating on the 3′ ssDNA strand, but not on the putative ‘lagging’ AdnA ATPase. Here, we queried genetically which activities of AdnAB are pertinent to its role in HR and DNA damage repair in vivo by inactivating each of the four catalytic domains. Complete nuclease-dead AdnAB enzyme can sustain recombination in vivo, as long as its AdnB motor is intact and RecO and RecR are available. We conclude that AdnAB's processive DSB unwinding activity suffices for AdnAB function in HR. Albeit not excluding the agency of a backup nuclease, our findings suggest that mycobacterial HR can proceed via DSB unwinding and protein capture of the displaced 3′-OH single strand, without a need for extensive end-resection. PMID:27899634

  4. Concentrations of AB-CHMINACA and AB-PINACA and Driving Behavior in Suspected Impaired Driving Cases.

    PubMed

    Peterson, Brianna L; Couper, Fiona J

    2015-10-01

    This article reviews case reports for 58 suspected impaired driving cases that were positive for the synthetic cannabinoids AB-CHMINACA or AB-PINACA. All cases were submitted to the Washington State Patrol Toxicology Laboratory in 2014 from either Washington State or State of Alaska law enforcement agencies. The population of drivers was predominantly male (95%), with a mean age of 28 years (range, 18-61 years). The range of blood concentrations was 0.6->10 ng/mL for AB-CHMINACA (N = 33) and 0.6-41.3 ng/mL for AB-PINACA (N = 25). Drug Recognition Expert exams were performed in 10 cases for each AB-CHMINACA and AB-PINACA. Horizontal gaze nystagmus was observed in 50 and 60% of the cases, respectively. Overall, several physiological indicators varied from those typically observed with marijuana use. The majority of these cases had very poor driving; subjects were involved in an accident, found passed out in a vehicle or were called in as a suspected impaired driver. Slurred speech, confusion, lack of coordination/dexterity and lethargy were commonly observed.

  5. Laser goniometer

    DOEpatents

    Fairer, George M.; Boernge, James M.; Harris, David W.; Campbell, DeWayne A.; Tuttle, Gene E.; McKeown, Mark H.; Beason, Steven C.

    1993-01-01

    The laser goniometer is an apparatus which permits an operator to sight along a geologic feature and orient a collimated lamer beam to match the attitude of the feature directly. The horizontal orientation (strike) and the angle from horizontal (dip), are detected by rotary incremental encoders attached to the laser goniometer which provide a digital readout of the azimuth and tilt of the collimated laser beam. A microprocessor then translates the square wave signal encoder outputs into an ASCII signal for use by data recording equipment.

  6. Laser propulsion

    NASA Technical Reports Server (NTRS)

    Rom, F. E.; Putre, H. A.

    1972-01-01

    The use of an earth-based high-power laser beam to provide energy for earth-launched rocket vehicle is investigated. The laser beam energy is absorbed in an opaque propellant gas and is converted to high-specific-impulse thrust by expanding the heated propellant to space by means of a nozzle. This laser propulsion scheme can produce specific impulses of several thousand seconds. Payload to gross-weight fractions about an order of magnitude higher than those for conventional chemical earth-launched vehicles appear possible. There is a potential for a significant reduction in cost per payload mass in earth orbit.

  7. Explosive laser

    DOEpatents

    Robinson, C.P.; Jensen, R.J.; Davis, W.C.; Sullivan, J.A.

    1975-09-01

    This patent relates to a laser system wherein reaction products from the detonation of a condensed explosive expand to form a gaseous medium with low translational temperature but high vibration population. Thermal pumping of the upper laser level and de-excitation of the lower laser level occur during the expansion, resulting in a population inversion. The expansion may be free or through a nozzle as in a gas-dynamic configuration. In one preferred embodiment, the explosive is such that its reaction products are CO$sub 2$ and other species that are beneficial or at least benign to CO$sub 2$ lasing. (auth)

  8. Probing the Sub-cycle AC Stark Shift by means of Attosecond Pulses: An ab initio Study of Transient Absorption

    NASA Astrophysics Data System (ADS)

    Zhao, Di; Telnov, Dmitry A.; Chu, Shih-I.

    2012-06-01

    We report a first fully ab initio theoretical exploration of the sub-cycle dynamical AC Stark shift and broadening of He atoms driven by an attosecond pulse and IR pulse. Since the duration of the UV pulse is much shorter than that of the optical cycle of the IR dressing laser field, the sub-cycle dynamics of the dressed atoms can be unfolded by applying the attosecond pulse at different time delay. A nonperturbative method is developed to calculate the transient absorption spectrum without weak-field limitation. By solving the time-dependent Schr"odinger equation accurately by means of the time-dependent generalized pseudospectral method, we predict novel sub-cycle laser-induced time-dependent AC Stark shift and power broadening of He atoms whose dynamical features are in good agreement with the latest ongoing experiments at UCF. Detailed results will be presented. This work is partially supported by DOE and NSF.

  9. [Laser myringotomy].

    PubMed

    Hassmann-Poznańska, Elzbieta; Skotnicka, Bozena

    2002-01-01

    The aim of the study was assessment of the qualities of laser-assisted myringotomy (LAM) as a treatment for acute and secretory otitis media. Laser-assisted myringotomy was performed on 65 children (113 ears) mean age 6.2 years diagnosed with secretory otitis media (80%), recurrent secretory otitis media (11%) and acute otitis media (9%). Myringotomy was performed under general anesthesia using the OtoLAM device (ESC/Sharplan, Israel). In 64 ears pressure equalisation tubes were inserted after fenestration of the tympanic membrane with laser. Adenoidectomy alone or with tonsillectomy was performed at the same time in 51 cases. Laser tympanostomies remained patent for 7-32 days. All tympanostomies healed with no noticeable scarring. LAM appears to be a safe, and easy to performed, alternative technique in the treatment of otitis media.

  10. Laser fusion

    SciTech Connect

    Smit, W.A.; Boskma, P.

    1980-12-01

    Unrestricted laser fusion offers nations an opportunity to circumvent arms control agreements and develop thermonuclear weapons. Early laser weapons research sought a clean radiation-free bomb to replace the fission bomb, but this was deceptive because a fission bomb was needed to trigger the fusion reaction and additional radioactivity was induced by generating fast neutrons. As laser-implosion experiments focused on weapons physics, simulating weapons effects, and applications for new weapons, the military interest shifted from developing a laser-ignited hydrogen bomb to more sophisticated weapons and civilian applications for power generation. Civilian and military research now overlap, making it possible for several countries to continue weapons activities and permitting proliferation of nuclear weapons. These countries are reluctant to include inertial confinement fusion research in the Non-Proliferation Treaty. 16 references. (DCK)

  11. Laser barometer

    SciTech Connect

    Abercrombie, K.R.; Shiels, D.; Rash, T.

    1998-04-01

    This paper describes an invention of a pressure measuring instrument which uses laser radiation to sense the pressure in an enclosed environment by means of measuring the change in refractive index of a gas - which is pressure dependent.

  12. Laser Cutting

    DTIC Science & Technology

    1988-06-01

    lasers that are optically modified to produce high beam quality at reduced power levels for precision drilling and trepanning. * Nd:YAG lasers with...a smooth, dross-free cut face while the marking consists of a series of precisely placed shallow pits where surface finish and dross are not usually...neodymium:yttrium-aluminum-garnet (Nd:YAG) pulsed cutting data because the technique is considered vital in meeting the detailed precision cutting

  13. Laser Technology

    NASA Technical Reports Server (NTRS)

    1989-01-01

    Amoco Laser Company, a subsidiary of Amoco Corporation, has developed microlasers for the commercial market based on a JPL concept for optical communications over interplanetary distances. Lasers emit narrow, intense beams of light or other radiation. The beams transmit communication signals, drill, cut or melt materials or remove diseased body tissue. The microlasers cover a broad portion of the spectrum, and performance is improved significantly. Current applications include medical instrumentation, color separation equipment, telecommunications, etc.

  14. Experimental and Ab Initio Studies of the HDO Absorption Spectrum in the 13165-13500 1/cm Spectral Region

    NASA Technical Reports Server (NTRS)

    Schwenke, David; Naumenko, Olga; Bertseva, Elena; Campargue, Alain; Arnold, James O. (Technical Monitor)

    2000-01-01

    The HDO absorption spectrum has been recorded in the 13165 - 13500 cm(exp-1) spectral region by Intracavity Laser Absorption Spectroscopy. The spectrum (615 lines), dominated by the 2n2 + 3n3 and n1+3n3 bands was assigned and modeled leading to the derivation of 196 accurate energy levels of the (103) and (023) vibrational states. Finally, 150 of these levels have been reproduced by an effective Hamiltonian involving two vibrational dark states interacting with the (023) and ( 103) bright states. The rms deviation achieved by variation of 28 parameters is 0.05-1 cm, compared to an averaged experimental uncertainty of 0.007-1 cm, indicating the limit of validity of the effective Hamiltonian approach for HDO at high vibrational excitation. The predictions of previous ab initio calculations of the HDO spectrum were extensively used in the assignment process. The particular spectral region under consideration has been used to test and discuss the improvements of new ab initio calculations recently performed on the basis of the same potential energy surface but with an improved dipole moment surface. The improvements concern both the energy levels and the line intensities. In particular, the strong hybrid character of the n1+3n3 band is very well accounted for by the the new ab initio calculations.

  15. Laser Angioplasty

    NASA Technical Reports Server (NTRS)

    1990-01-01

    The principal method of dealing with coronary artery blockage is bypass surgery. A non-surgical alternative available to some patients is balloon angioplasty. For several years, medical researchers have been exploring another alternative that would help a wider circle of patients than the balloon treatment and entail less risk than bypass surgery. A research group is on the verge of an exciting development: laser angioplasty with a 'cool' type of laser, called an excimer laser, that does not damage blood vessel walls and offers non-surgical cleansing of clogged arteries with extraordinary precision. The system is the Dymer 200+ Excimer Laser Angioplasty System, developed by Advanced Intraventional Systems. Used in human clinical tests since 1987, the system is the first fully integrated 'cool' laser capable of generating the requisite laser energy and delivering the energy to target arteries. Thirteen research hospitals in the U.S. have purchased Dymer 200+ systems and used them in clinical trials in 121 peripheral and 555 coronary artery cases. The success rate in opening blocked coronary arteries is 85 percent, with fewer complications than in balloon angioplasty. Food and Drug Administration approval for the system is hoped for in the latter part of 1990. * Advanced Intraventional Systems became Spectranetics in 1994 and discontinued the product.

  16. Laser optomechanics

    PubMed Central

    Yang, Weijian; Adair Gerke, Stephen; Wei Ng, Kar; Rao, Yi; Chase, Christopher; Chang-Hasnain, Connie J.

    2015-01-01

    Cavity optomechanics explores the interaction between optical field and mechanical motion. So far, this interaction has relied on the detuning between a passive optical resonator and an external pump laser. Here, we report a new scheme with mutual coupling between a mechanical oscillator supporting the mirror of a laser and the optical field generated by the laser itself. The optically active cavity greatly enhances the light-matter energy transfer. In this work, we use an electrically-pumped vertical-cavity surface-emitting laser (VCSEL) with an ultra-light-weight (130 pg) high-contrast-grating (HCG) mirror, whose reflectivity spectrum is designed to facilitate strong optomechanical coupling, to demonstrate optomechanically-induced regenerative oscillation of the laser optomechanical cavity. We observe >550 nm self-oscillation amplitude of the micromechanical oscillator, two to three orders of magnitude larger than typical, and correspondingly a 23 nm laser wavelength sweep. In addition to its immediate applications as a high-speed wavelength-swept source, this scheme also offers a new approach for integrated on-chip sensors. PMID:26333804

  17. Ab Initio Studies of Stratospheric Ozone Depletion Chemistry

    NASA Technical Reports Server (NTRS)

    Lee, Timothy J.; Head-Gordon, Martin; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    An overview of the current understanding of ozone depletion chemistry, particularly with regards the formation of the so-called Antarctic ozone hole, will be presented together with an outline as to how ab initio quantum chemistry can be used to further our understanding of stratospheric chemistry. The ability of modern state-of-the art ab initio quantum chemical techniques to characterize reliably the gas-phase molecular structure, vibrational spectrum, electronic spectrum, and thermal stability of fluorine, chlorine, bromine and nitrogen oxide species will be demonstrated by presentation of some example studies. The ab initio results will be shown to be in excellent agreement with the available experimental data, and where the experimental data are either not known or are inconclusive, the theoretical results are shown to fill in the gaps and to resolve experimental controversies. In addition, ab initio studies in which the electronic spectra and the characterization of excited electronic states of halogen oxide species will also be presented. Again where available, the ab initio results are compared to experimental observations, and are used to aid in the interpretation of experimental studies.

  18. THERMODYNAMICS OF MATERIALS: FROM AB INITIO TO PHENOMENOLOGY

    SciTech Connect

    Turchi, P A

    2004-09-24

    Quantum mechanical-based (or ab initio) methods are used to predict the stability properties of materials although their application is limited to relatively simple systems in terms of structures and number of alloy components. However thermodynamics of complex multi-component alloys requires a more versatile approach afforded within the CALPHAD formalism. Despite its success, the lack of experimental data very often prevents the design of robust thermodynamic databases. After a brief survey of ab initio methodologies and CALPHAD, it will be shown how ab initio electronic structure methods can supplement in two ways CALPHAD for subsequent applications. The first one is rather immediate and concerns the direct input of ab initio energetics in CALPHAD databases. The other way, more involved, is the assessment of ab initio thermodynamics '{acute a} la CALPHAD'. It will be shown how these results can be used within CALPHAD to predict the equilibrium properties of multi-component alloys. Finally, comments will be made on challenges and future prospects.

  19. 40 CFR 174.506 - Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn; exemption from the requirement of...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Bacillus thuringiensis Cry34Ab1 and... REQUIREMENTS FOR PLANT-INCORPORATED PROTECTANTS Tolerances and Tolerance Exemptions § 174.506 Bacillus... Bacillus thuringiensis Cry34Ab1 and Cry35Ab1 proteins in corn are exempted from the requirement of...

  20. Laser Physics and Laser Spectroscopy.

    DTIC Science & Technology

    1986-03-01

    effect which limits the power throughout of a device; terbium qallium garnet (TGG), a Faraday isolator material; potassium niobate (KNbO 31 a nonlinear...extending the range of materials grown in fiber form. Two materials to be emphasized are terbium gallium garnet for optical isolators and potassium niobate...for doubling gallium arsenide diode lasers. References 1. R.H. Stolen, "Fiber Raman Lasers", Fiber and Integrated Optics, 3 (1980). 2. E. Ipoen and

  1. ABS 3D printed solutions for cryogenic applications

    NASA Astrophysics Data System (ADS)

    Bartolomé, E.; Bozzo, B.; Sevilla, P.; Martínez-Pasarell, O.; Puig, T.; Granados, X.

    2017-03-01

    3D printing has become a common, inexpensive and rapid prototyping technique, enabling the ad hoc fabrication of complex shapes. In this paper, we demonstrate that 3D printed objects in ABS can be used at cryogenic temperatures, offering flexible solutions in different fields. Firstly, a thermo-mechanical characterization of ABS 3D printed specimens at 77 K is reported, which allowed us to delimit the type of cryogenic uses where 3D printed pieces may be implemented. Secondly, we present three different examples where ABS 3D printed objects working at low temperatures have provided specific solutions: (i) SQUID inserts for angular magnetometry (low temperature material characterization field); (ii) a cage support for a metamaterial ;magnetic concentrator; (superconductivity application), and (iii) dedicated tools for cryopreservation in assisted reproductive techniques (medicine field).

  2. Integrated Design of Antibodies for Systems Biology Using Ab Designer.

    PubMed

    Pisitkun, Trairak; Dummer, Patrick; Somparn, Poorichaya; Hirankarn, Nattiya; Kopp, Jeffrey B; Knepper, Mark A

    2014-03-24

    In the current era of large-scale biology, systems biology has evolved as a powerful approach to identify complex interactions within biological systems. In addition to high throughput identification and quantification techniques, methods based on high-quality mono-specific antibodies remain an essential element of the approach. To assist the large-scale design and production of peptide-directed antibodies for systems biology studies, we developed a fully integrated online application, AbDesigner (http://helixweb.nih.gov/AbDesigner/), to help researchers select optimal peptide immunogens for antibody generation against relatively disordered regions of target proteins. Here we describe AbDesigner in terms of its features, comparing it to other software tools, and use it to design three antibodies against kidney disease-related proteins in human, viz. nephrin, podocin, and apolipoprotein L1.

  3. AB Initio Study of the Structure and Spectroscopic Properties of Halogenated Thioperoxy Radicals

    NASA Technical Reports Server (NTRS)

    Munoz, Luis A.; Binning, R. C., Jr.; Weiner, Brad R.; Ishikawa, Yasuyuki

    1997-01-01

    Thioperoxy (XSO or XOS) radicals exist in a variety of chemical environments, and they have as a consequence drawn some interest. HSO, an important species in the chemistry of the troposphere, has been examined both experimentally. The halogenated (X = F, Cl or Br) peroxy species and isovalent thioperoxy species have been studied less, but they too are potentially interesting because oxidized sulfur species and halogen sources are present in the atmosphere. Learning the fate of XSO and XOS radicals is important to understanding the atmospheric oxidation chemistry of sulfur compounds. Of these, FSO and ClSO are particularly interesting because they have been directly detected spectroscopically. Recent studies in our laboratory on the photochemistry of thionyl halides (X2SO; where X = F or Cl) have suggested new ways to generate XSO species. The laser-induced photodissociation of thionyl fluoride, F2SO, at 193 nm and thionyl chloride, ClSO, at 248 nm is characterized by a radical mechanism, X2SO -> XSO + X. The structure of FSO has been characterized experimentally by Endo et cd. employing microwave spectroscopy. Using the unrestricted Hartree-Fock (UHF) self-consistent field (SCF) method, Sakai and Morokuma computed the electronic structure of the ground (sup 2)A" and the first excited (sup 2)A' states of FSO. Electron correlation was not taken into account in their study. In a laser photodissociation experiment, Huber et al. identified ClSO mass spectromctrically. ClSO has also been detected in low temperature matrices by EPR and in the gas phase by far IR laser magnetic resonance. Although the structure of FSO is known in detail, the only study, experimental or theoretical, of CISO has been an ab initio HFSCF study by Hinchliffe. Electron correlation corrections were also excluded from this study. In order to better understand the isomerization and dissociation dynamics of the radical species, we have performed ab initio correlated studies of the potential energy

  4. Laser therapy for cancer

    MedlinePlus

    ... this page: //medlineplus.gov/ency/patientinstructions/000905.htm Laser therapy for cancer To use the sharing features ... Lasers are also used on the skin. How Laser Therapy is Used Laser therapy can be used ...

  5. Laser beam monitoring system

    DOEpatents

    Weil, Bradley S.; Wetherington, Jr., Grady R.

    1985-01-01

    Laser beam monitoring systems include laser-transparent plates set at an angle to the laser beam passing therethrough and light sensor for detecting light reflected from an object on which the laser beam impinges.

  6. Laser Physics and Laser-Tissue Interaction

    PubMed Central

    Welch, A. J.; Torres, Jorge H.; Cheong, Wai-Fung

    1989-01-01

    Within the last few years, lasers have gained increasing use in the management of cardiovascular disease, and laser angioplasty has become a widely performed procedure. For this reason, a basic knowledge of lasers and their applications is essential to vascular surgeons, cardiologists, and interventional radiologists. To elucidate some fundamental concepts regarding laser physics, we describe how laser light is generated and review the properties that make lasers useful in medicine. We also discuss beam profile and spotsize, as well as dosimetric specifications for laser angioplasty. After considering laser-tissue interaction and light propagation in tissue, we explain how the aforementioned concepts apply to direct laser angioplasty and laser-balloon angioplasty. An understanding of these issues should prove useful not only in performing laser angioplasty but in comparing the reported results of various laser applications. (Texas Heart Institute Journal 1989;16:141-9) PMID:15227198

  7. Laser acceleration

    NASA Astrophysics Data System (ADS)

    Tajima, T.; Nakajima, K.; Mourou, G.

    2017-02-01

    The fundamental idea of Laser Wakefield Acceleration (LWFA) is reviewed. An ultrafast intense laser pulse drives coherent wakefield with a relativistic amplitude robustly supported by the plasma. While the large amplitude of wakefields involves collective resonant oscillations of the eigenmode of the entire plasma electrons, the wake phase velocity ˜ c and ultrafastness of the laser pulse introduce the wake stability and rigidity. A large number of worldwide experiments show a rapid progress of this concept realization toward both the high-energy accelerator prospect and broad applications. The strong interest in this has been spurring and stimulating novel laser technologies, including the Chirped Pulse Amplification, the Thin Film Compression, the Coherent Amplification Network, and the Relativistic Mirror Compression. These in turn have created a conglomerate of novel science and technology with LWFA to form a new genre of high field science with many parameters of merit in this field increasing exponentially lately. This science has triggered a number of worldwide research centers and initiatives. Associated physics of ion acceleration, X-ray generation, and astrophysical processes of ultrahigh energy cosmic rays are reviewed. Applications such as X-ray free electron laser, cancer therapy, and radioisotope production etc. are considered. A new avenue of LWFA using nanomaterials is also emerging.

  8. Laser construction

    SciTech Connect

    Martin, D.W.; Osterhage, R.J.; Summa, K.M.

    1989-02-14

    A laser device is described comprising an elongated laser medium of crystal material having a cylindrical shape modified to have a flat face formed on one side thereof, a highly heat conducting mounting member having a flat surface on a portion thereof, the medium being mounted on the mounting member with the flat face of the medium in face-to-face relation with the flat surface on the mounting member, a heat sink member having a surface for attaching the mounting member to, a pump source including an array of laser diodes each having opposite ends and positioned in side-by-side single file relation, a second highly heat conducting mounting member having a surface on which the array of laser diodes is positioned, the second mounting member being mounted on the heat sink member wherein the array of laser diodes are in substantial alignment with the axis of the medium along the side thereof opposite from the flat face of the medium.

  9. Ab initio computations of photodissociation products of CFC alternatives

    SciTech Connect

    Tai, S.; Illinger, K.H.; Kenny, J.E.

    1995-12-31

    Ab initio computations, have already been used to examine the energetics of the photodissociation of stratospheric chlorofluorocarbons. Our awn research has investigated the ab initio computation of vibrational frequencies and infrared intensities of CF{sub 3}CH{sub 2}F, CF{sub 3}CF{sub 2}H, and CF{sub 3}CH{sub 3}; continuing research will attempt to expand these computations to the energetics of the photodissociation of these molecules, since sane of the most common types of chlorofluorocarbon substitutes are hydrofluoroethanes.

  10. Analysis of water in Autonomous Biological Systems (ABS) samples.

    PubMed

    Ishikawa, Y; Kobayashi, K; Seki, K; Mizutani, H; Kawasaki, Y; Koike, J; Ijiri, K; Yamashita, M; Sugiura, K; Poynter, J; MacCallum, T; Anderson, G

    1998-12-01

    Several soluble components, peptidase and amino acids, and carbon isotopic ratio in the water retrieved from flight experiments of Autonomous Biological Systems (ABS) as well as ground control samples are analyzed to interpret the condition, dynamics, material balance of the ABS ecosystems. Organic carbons in flight samples were found to be more abundant compared with the control ones, which suggested the uniform ecosystems in low gravity might easily dissolve more soluble components. The Mir-1997 flight sample showed higher C/N ratio probably because of the dissolution of carbon-rich plant materials.

  11. Tunable solid state lasers

    SciTech Connect

    Hammerling, R.; Budgor, A.B.; Pinto, A.

    1985-01-01

    This book presents the papers given at a conference on solid state lasers. Topics considered at the conference included transition-metal-doped lasers, line-narrowed alexandrite lasers, NASA specification, meteorological lidars, laser materials spectroscopy, laser pumped single pass gain, vibronic laser materials growth, crystal growth methods, vibronic laser theory, cross-fertilization through interdisciplinary fields, and laser action of color centers in diamonds.

  12. Laser cosmology

    NASA Astrophysics Data System (ADS)

    Chen, P.

    2014-05-01

    Recent years have witnessed tremendous progress in our understanding of the cosmos, which in turn points to even deeper questions to be further addressed. Concurrently the laser technology has undergone dramatic revolutions, providing exciting opportunity for science applications. History has shown that the symbiosis between direct observations and laboratory investigation is instrumental in the progress of astrophysics. We believe that this remains true in cosmology. Current frontier phenomena related to particle astrophysics and cosmology typically involve one or more of the following conditions: (1) extremely high energy events;(2) very high density, high temperature processes; (3) super strong field environments. Laboratory experiments using high intensity lasers can calibrate astrophysical observations, investigate underlying dynamics of astrophysical phenomena, and probe fundamental physics in extreme limits. In this article we give an overview of the exciting prospect of laser cosmology. In particular, we showcase its unique capability of investigating frontier cosmology issues such as cosmic accelerator and quantum gravity.

  13. Laser barometer

    DOEpatents

    Abercrombie, Kevin R.; Shiels, David; Rash, Tim

    2001-02-06

    A pressure measuring instrument that utilizes the change of the refractive index of a gas as a function of pressure and the coherent nature of a laser light to determine the barometric pressure within an environment. As the gas pressure in a closed environment varies, the index of refraction of the gas changes. The amount of change is a function of the gas pressure. By illuminating the gas with a laser light source, causing the wavelength of the light to change, pressure can be quantified by measuring the shift in fringes (alternating light and dark bands produced when coherent light is mixed) in an interferometer.

  14. Excimer lasers

    NASA Technical Reports Server (NTRS)

    Palmer, A. J.; Hess, L. D.; Stephens, R. R.

    1976-01-01

    A theoretical and experimental investigation into the possibility of achieving CW discharge pumped excimer laser oscillation is reported. Detailed theoretical modeling of capillary discharge pumping of the XeF and KXe and K2 excimer systems was carried out which predicted the required discharge parameters for reaching laser threshold on these systems. Capillary discharge pumping of the XeF excimer system was investigated experimentally. The experiments revealed a lower excimer level population density than predicted theoretically by about an order of magnitude. The experiments also revealed a fluorine consumption problem in the discharge in agreement with theory.

  15. Graviton laser

    NASA Astrophysics Data System (ADS)

    Landry, A.; Paranjape, M. B.

    2016-08-01

    We consider the possibility of creating a graviton laser. The lasing medium would be a system of contained, ultra cold neutrons. Ultra cold neutrons are a quantum mechanical system that interacts with gravitational fields and with the phonons of the container walls. It is possible to create a population inversion by pumping the system using the phonons. We compute the rate of spontaneous emission of gravitons and the rate of the subsequent stimulated emission of gravitons. The gain obtainable is directly proportional to the density of the lasing medium and the fraction of the population inversion. The applications of a graviton laser would be interesting.

  16. Laser Resonator

    NASA Technical Reports Server (NTRS)

    Harper, L. L. (Inventor)

    1983-01-01

    An optical resonator cavity configuration has a unitary mirror with oppositely directed convex and concave reflective surfaces disposed into one fold and concertedly reversing both ends of a beam propagating from a laser rod disposed between two total internal reflection prisms. The optical components are rigidly positioned with perpendicularly crossed virtual rooflines by a compact optical bed. The rooflines of the internal reflection prisms, are arranged perpendicularly to the axis of the laser beam and to the optical axes of the optical resonator components.

  17. Thyroglobulin antibody (TgAb) methods - Strengths, pitfalls and clinical utility for monitoring TgAb-positive patients with differentiated thyroid cancer.

    PubMed

    Spencer, Carole; Fatemi, Shireen

    2013-10-01

    Thyroglobulin autoantibodies (TgAb) are detected at diagnosis or during treatment in approximately 25% of patients with differentiated thyroid cancer (DTC). When present, TgAb interferes with thyroglobulin (Tg) measurement causing falsely low or undetectable Tg immunometric assay (IMA) values that can mask disease. Guidelines mandate that every Tg test have TgAb measured simultaneously and quantitatively by immunoassay and not a recovery test. The propensity and magnitude of TgAb-Tg interference relates to both Tg and TgAb concentrations and the class of Tg method used. Because the TgAb trend reflects changes in thyroid tissue mass, TgAb concentrations serve as a surrogate post-operative DTC tumor marker. A rising, or de novo appearance of TgAb may indicate recurrence, whereas a progressive decline suggests successful treatment. This review focuses on the technical limitations of current TgAb methods, characteristics of TgAb interference with different classes of Tg method, and the clinical value of monitoring TgAb trends as a surrogate DTC tumor marker.

  18. Multiple time step integrators in ab initio molecular dynamics

    SciTech Connect

    Luehr, Nathan; Martínez, Todd J.; Markland, Thomas E.

    2014-02-28

    Multiple time-scale algorithms exploit the natural separation of time-scales in chemical systems to greatly accelerate the efficiency of molecular dynamics simulations. Although the utility of these methods in systems where the interactions are described by empirical potentials is now well established, their application to ab initio molecular dynamics calculations has been limited by difficulties associated with splitting the ab initio potential into fast and slowly varying components. Here we present two schemes that enable efficient time-scale separation in ab initio calculations: one based on fragment decomposition and the other on range separation of the Coulomb operator in the electronic Hamiltonian. We demonstrate for both water clusters and a solvated hydroxide ion that multiple time-scale molecular dynamics allows for outer time steps of 2.5 fs, which are as large as those obtained when such schemes are applied to empirical potentials, while still allowing for bonds to be broken and reformed throughout the dynamics. This permits computational speedups of up to 4.4x, compared to standard Born-Oppenheimer ab initio molecular dynamics with a 0.5 fs time step, while maintaining the same energy conservation and accuracy.

  19. Environmentally friendly process for nickel electroplating of ABS

    NASA Astrophysics Data System (ADS)

    Bazzaoui, M.; Martins, J. I.; Bazzaoui, E. A.; Albourine, A.

    2012-08-01

    Nickel electroplating of acrylonitrile butadiene styrene (ABS) plastic has been achieved successfully without any chromium or palladium pretreatment. Once the ABS is coated with polypyrrole (PPy), the sample may be electroplated. The process is fast, economic and involves three stages. Firstly, chemical deposition of PPy on ABS, secondly, copper deposition and finally nickel electroplating. A homogenous and adherent PPy has been synthesized chemically on ABS plate by using pyrrole as monomer and iron (III) chloride as oxidant. Copper and nickel were deposited galvanostatically from industrial plating baths. The metallic coatings were homogeneous and the adherence was estimated at 100%. The thickness of copper and nickel depend on the electrolysis time. As the current density increases, the Cu and Ni thickness raises. This result was confirmed from SEM characterization and RX map. The Ni coating is characterized by a globular structure with globules of different sizes. Energy dispersive X-ray spectroscopy (EDS) analysis shows the presence of Ni with some amount of carbon and oxygen due to the nickel oxides and contaminant from the bath solution.

  20. A-B Distinction in a Sample of Prominent Psychotherapists

    ERIC Educational Resources Information Center

    Geller, Jesse D.; Berzins, Juris I.

    1976-01-01

    A sample of prominent psychotherapists were asked to fill out the A-B therapist "type" scale and comment on their possible differential effectiveness in treating schizoid/schizophrenic versus neurotic patients. The data suggest that B therapists desire and seek more complex and exciting sensory-cognitive inputs during therapy hours than A…

  1. Motif based Hessian matrixfor ab initio geometry optimization ofnanostructures

    SciTech Connect

    Zhao, Zhengji; Wang, Lin-Wang; Meza, Juan

    2006-04-05

    A simple method to estimate the atomic degree Hessian matrixof a nanosystem is presented. The estimated Hessian matrix, based on themotif decomposition of the nanosystem, can be used to accelerate abinitio atomic relaxations with speedups of 2 to 4 depending on the sizeof the system. In addition, the programing implementation for using thismethod in a standard ab initio package is trivial.

  2. Terminal Forecast Reference Notebook for Heidelberg AB, Germany.

    DTIC Science & Technology

    1982-10-01

    pressure change from Hahn AB ( EDAH ) to EDIE. (1) There are three positive indicators needed prior to using this study. (a) Strong cold FROPA or TROF passage...b) Wasserkunne (10544) winds greater than 44 knots. (c) Winds already meeting warning criteria at EDAH . (2) If the above criteria is met, than

  3. Discovery of New Substrates for LuxAB Bacterial Bioluminescence.

    PubMed

    Jiang, Tianyu; Wang, Weishan; Wu, Xingkang; Wu, Wenxiao; Bai, Haixiu; Ma, Zhao; Shen, Yuemao; Yang, Keqian; Li, Minyong

    2016-08-01

    In this article, four novel substrates with long halftime have been designed and synthesized successfully for luxAB bacterial bioluminescence. After in vitro and in vivo biological evaluation, these molecules can emit obvious bioluminescence emission with known bacterial luciferase, thus indicating a new promising approach to developing the bacterial bioluminescent system.

  4. Food for Thought on the "ABS Academic Journal Quality Guide"

    ERIC Educational Resources Information Center

    Hussain, Simon

    2011-01-01

    This paper discusses issues relating to the use of the Association of Business Schools' (ABS) "Academic Journal Quality Guide" within UK business schools. It also looks at several specific issues raised by the Chair of the British Accounting Association/British Accounting and Finance Association regarding the ratings for top…

  5. Further Food for Thought on the "ABS Guide"

    ERIC Educational Resources Information Center

    Hussain, Simon

    2012-01-01

    This paper replies to points raised by the editors of the "ABS Guide", Huw Morris, Charles Harvey, Aidan Kelly and Michael Rowlinson (2011) "Accounting Education: an international journal", 20(6), pp. 561-573) in response to a paper published in a previous issue of "Accounting Education" (Hussain, S. (2011)…

  6. Nonreactive Measuring: Its Time Has Arrived with AB 65.

    ERIC Educational Resources Information Center

    Freda, James A.

    1978-01-01

    This article includes school improvement variables to be considered in the evaluation of school improvement under the provisions of California's AB 65. The variables are categorized as pupil and teacher attitudes, instructional methods involving pupils and teachers, and school plant data. (Author)

  7. Towards SiC Surface Functionalization: An Ab Initio Study

    SciTech Connect

    Cicero, G; Catellani, A

    2005-01-28

    We present a microscopic model of the interaction and adsorption mechanism of simple organic molecules on SiC surfaces as obtained from ab initio molecular dynamics simulations. Our results open the way to functionalization of silicon carbide, a leading candidate material for bio-compatible devices.

  8. Information Manual: Procedures, Planning Concepts, Subsystems. ABS Publication No. 3.

    ERIC Educational Resources Information Center

    California Univ., Berkeley.

    This report, the third in a series which presents the results of a systems analysis of the problem of providing science and engineering buildings at the university level, is a technical manual for using the Academic Building Systems (ABS) approach in programing, designing, and constructing such facilities. The document presents (1) planning…

  9. The application of ab initio calculations to molecular spectroscopy

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1989-01-01

    The state of the art in ab initio molecular structure calculations is reviewed, with an emphasis on recent developments such as full configuration-interaction benchmark calculations and atomic natural orbital basis sets. It is shown that new developments in methodology combined with improvements in computer hardware are leading to unprecedented accuracy in solving problems in spectroscopy.

  10. The application of ab initio calculations to molecular spectroscopy

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1989-01-01

    The state of the art in ab initio molecular structure calculations is reviewed with an emphasis on recent developments, such as full configuration-interaction benchmark calculations and atomic natural orbital basis sets. It is found that new developments in methodology, combined with improvements in computer hardware, are leading to unprecedented accuracy in solving problems in spectroscopy.

  11. Pseudosymmetric features of non-centrosymmetric AB type crystals

    SciTech Connect

    Gazhulina, A.P. Marychev, M.O.

    2016-07-15

    This work is supplement to our previous investigation (Gazhulina and Marychev, 2015) [1]. We have considered pseudosymmetric features with respect to the operation of inversion (pseudoinversion) for 340 non-centrosymmetric AB type crystals. Analysis of the features of particular structure types allowed us to determine the positions of pseudoinversion centers, subdivide them into separate types, and classify the entire set of crystals studied with respect to the types of pseudoinversion centers and peculiarities of the behavior of the degree of pseudoinversion depending on the ratio of atomic numbers of A and B components. For each group of crystals, average values and lower boundaries of the maximum pseudoinversion are determined and distribution with respect to the degree of pseudoinversion is constructed. - Graphical abstract: A group of 340 non-centrosymmetric AB type crystals have been considered for their pseudosymmetry features with respect to the operation of inversion. Positions of pseudoinversion centers, subdivision of them into separate types, classification of the entire set of crystals studied with respect to the types of pseudoinversion centers and peculiarities of the behavior of the degree of pseudoinversion are established and discussed. Display Omitted - Highlights: • We consider pseudoinversion of 340 non-centrosymmetric AB type crystals. • AB type crystals are divided into three groups with respect to pseudoinversion. • Positions and types of pseudoinversion centers are determined. • Lower boundaries of the maximum pseudoinversion are determined.

  12. Experimental Space Weathering of Ordinary Chondrites by Nanopulse Laser: TEM Results

    NASA Technical Reports Server (NTRS)

    Noble, S. K.; Hiroi, T.; Keller, L. P.; Pieters, C. M.

    2011-01-01

    A set of ordinary chondrite meteorites has been subjected to artificial space weathering by nanopulse laser to simulate the effects of micrometeorite bombardment. Three meteorites, an H (Ehole), L (Chateau Renard - CR), and LL (Appley Bridge - AB) were lasered following the method of Sasaki et al [1]. Near IR spectra were taken before and after exposure to examine the optical changes induced and the samples were examined by scanning and transmission electron microscopy (SEM and TEM) to understand the physical changes.

  13. A dispersed fluorescence and ab initio investigation of the X~ 2B1 and A~ 2A1 electronic states of the PH2 molecule

    NASA Astrophysics Data System (ADS)

    Jakubek, Z. J.; Bunker, P. R.; Zachwieja, M.; Nakhate, S. G.; Simard, B.; Yurchenko, S. N.; Thiel, W.; Jensen, Per

    2006-03-01

    In this work, the X˜B12 and ÃA12 electronic states of the phosphino (PH2) free radical have been studied by dispersed fluorescence and ab initio methods. PH2 molecules were produced in a molecular free-jet apparatus by laser vaporizing a silicon rod in the presence of phosphine (PH3) gas diluted in helium. The laser-induced fluorescence, from the excited ÃA12 electronic state down to the ground electronic state, was dispersed and analyzed. Ten (υ1υ2υ3) vibrationally excited levels of the ground electronic state, with υ1⩽2, υ2⩽6, and υ3=0, have been observed. Ab initio potential-energy surfaces for the X˜B12 and ÃA12 electronic states have been calculated at 210 points. These two states correlate with a Πu2 state at linearity and they interact by the Renner-Teller coupling and spin-orbit coupling. Using the ab initio potential-energy surfaces with our RENNER computer program system, the vibronic structure and relative intensities of the ÃA12→X˜B12 emission band system have been calculated in order to corroborate the experimental assignments.

  14. Excimer lasers

    NASA Technical Reports Server (NTRS)

    Palmer, A. J.; Hess, L. D.; Stephens, R. R.; Pepper, D. M.

    1977-01-01

    The results of a two-year investigation into the possibility of developing continuous wave excimer lasers are reported. The program included the evaluation and selection of candidate molecular systems and discharge pumping techniques. The K Ar/K2 excimer dimer molecules and the xenon fluoride excimer molecule were selected for study; each used a transverse and capillary discharges pumping technique. Experimental and theoretical studies of each of the two discharge techniques applied to each of the two molecular systems are reported. Discharge stability and fluorine consumption were found to be the principle impediments to extending the XeF excimer laser into the continuous wave regime. Potassium vapor handling problems were the principal difficulty in achieving laser action on the K Ar/K2 system. Of the four molecular systems and pumping techniques explored, the capillary discharge pumped K Ar/K2 system appears to be the most likely candidate for demonstrating continuous wave excimer laser action primarily because of its predicted lower pumping threshold and a demonstrated discharge stability advantage.

  15. Laser Balancing

    NASA Astrophysics Data System (ADS)

    1981-01-01

    Mechanical Technology, Incorporated developed a fully automatic laser machining process that allows more precise balancing removes metal faster, eliminates excess metal removal and other operator induced inaccuracies, and provides significant reduction in balancing time. Manufacturing costs are reduced as a result.

  16. Laser synthesis of ultracold alkali metal dimers: optimization and control

    NASA Astrophysics Data System (ADS)

    Pazyuk, E. A.; Zaitsevskii, A. V.; Stolyarov, A. V.; Tamanis, M.; Ferber, R.

    2015-10-01

    The review concerns the potential of modern high-resolution laser spectroscopy and state-of-the-art ab initio electronic structure calculations used to obtain comprehensive information on the energy and radiative properties of strongly coupled rovibronic diatomic states. The possibility of deperturbation treatment of the intermediate electronically excited states at the experimental (spectroscopic) level of accuracy is demonstrated taking alkali metal dimers as examples. The deperturbation analysis is of crucial importance to optimize multistep laser synthesis and stabilization of ultracold molecular ensembles in their absolute ground level. The bibliography includes 227 references.

  17. Entropy driven atomic motion in laser-excited bismuth.

    PubMed

    Giret, Y; Gellé, A; Arnaud, B

    2011-04-15

    We introduce a thermodynamical model based on the two-temperature approach in order to fully understand the dynamics of the coherent A(1g) phonon in laser-excited bismuth. Using this model, we simulate the time evolution of (111) Bragg peak intensities measured by Fritz et al. [Science 315, 633 (2007)] in femtosecond x-ray diffraction experiments performed on a bismuth film for different laser fluences. The agreement between theoretical and experimental results is striking not only because we use fluences very close to the experimental ones but also because most of the model parameters are obtained from ab initio calculations performed for different electron temperatures.

  18. Generation of collisionless shock in laser-produced plasmas

    NASA Astrophysics Data System (ADS)

    Fiuza, Frederico

    2015-08-01

    Collisionless shocks are ubiquitous in astrophysical environments and are tightly connected with magnetic-field amplification and particle acceleration. The fast progress in high-power laser technology is bringing the study of high Mach number shocks into the realm of laboratory plasmas, where in situ measurements can be made helping us understand the fundamental kinetic processes behind shocks. I will discuss the recent progress in laser-driven shock experiments at state-of-the-art facilities like NIF and Omega and how these results, together with ab initio massively parallel simulations, can impact our understanding of magnetic field amplification and particle acceleration in astrophysical plasmas.

  19. Protective mAbs and Cross-Reactive mAbs Raised by Immunization with Engineered Marburg Virus GPs.

    PubMed

    Fusco, Marnie L; Hashiguchi, Takao; Cassan, Robyn; Biggins, Julia E; Murin, Charles D; Warfield, Kelly L; Li, Sheng; Holtsberg, Frederick W; Shulenin, Sergey; Vu, Hong; Olinger, Gene G; Kim, Do H; Whaley, Kevin J; Zeitlin, Larry; Ward, Andrew B; Nykiforuk, Cory; Aman, M Javad; Berry, Jody D; Berry, Jody; Saphire, Erica Ollmann

    2015-06-01

    The filoviruses, which include the marburg- and ebolaviruses, have caused multiple outbreaks among humans this decade. Antibodies against the filovirus surface glycoprotein (GP) have been shown to provide life-saving therapy in nonhuman primates, but such antibodies are generally virus-specific. Many monoclonal antibodies (mAbs) have been described against Ebola virus. In contrast, relatively few have been described against Marburg virus. Here we present ten mAbs elicited by immunization of mice using recombinant mucin-deleted GPs from different Marburg virus (MARV) strains. Surprisingly, two of the mAbs raised against MARV GP also cross-react with the mucin-deleted GP cores of all tested ebolaviruses (Ebola, Sudan, Bundibugyo, Reston), but these epitopes are masked differently by the mucin-like domains themselves. The most efficacious mAbs in this panel were found to recognize a novel "wing" feature on the GP2 subunit that is unique to Marburg and does not exist in Ebola. Two of these anti-wing antibodies confer 90 and 100% protection, respectively, one hour post-exposure in mice challenged with MARV.

  20. Laser Communication Demonstration System (LCDS) and future mobile satellite services

    NASA Technical Reports Server (NTRS)

    Chen, Chien-Chung; Wilhelm, Michael D.; Lesh, James R.

    1995-01-01

    The Laser Communications Demonstration System (LCDS) is a proposed in-orbit demonstration of high data rate laser communications technology conceived jointly by NASA and U.S. industry. The program objectives are to stimulate industry development and to demonstrate the readiness of high data rate optical communications in Earth orbit. For future global satellite communication systems using intersatellite links, laser communications technology can offer reduced mass and power requirements and higher channel bandwidths without regulatory constraints. As currently envisioned, LCDS will consist of one or two orbiting laser communications terminals capable of demonstrating high data rate (greater than 750Mbps) transmission in a dynamic space environment. Two study teams led by Motorola and Ball Aerospace are currently in the process of conducting a Phase A/B mission definition study of LCDS under contracts with JPL/NASA. The studies consist of future application survey, concept and requirements definition, and a point design of the laser communications flight demonstration. It is planned that a single demonstration system will be developed based on the study results. The Phase A/B study is expected to be completed by the coming June, and the current results of the study are presented in this paper.

  1. Pentylindole/Pentylindazole Synthetic Cannabinoids and Their 5-Fluoro Analogs Produce Different Primary Metabolites: Metabolite Profiling for AB-PINACA and 5F-AB-PINACA.

    PubMed

    Wohlfarth, Ariane; Castaneto, Marisol S; Zhu, Mingshe; Pang, Shaokun; Scheidweiler, Karl B; Kronstrand, Robert; Huestis, Marilyn A

    2015-05-01

    Whereas non-fluoropentylindole/indazole synthetic cannabinoids appear to be metabolized preferably at the pentyl chain though without clear preference for one specific position, their 5-fluoro analogs' major metabolites usually are 5-hydroxypentyl and pentanoic acid metabolites. We determined metabolic stability and metabolites of N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA) and 5-fluoro-AB-PINACA (5F-AB-PINACA), two new synthetic cannabinoids, and investigated if results were similar. In silico prediction was performed with MetaSite (Molecular Discovery). For metabolic stability, 1 μmol/L of each compound was incubated with human liver microsomes for up to 1 h, and for metabolite profiling, 10 μmol/L was incubated with pooled human hepatocytes for up to 3 h. Also, authentic urine specimens from AB-PINACA cases were hydrolyzed and extracted. All samples were analyzed by liquid chromatography high-resolution mass spectrometry on a TripleTOF 5600+ (AB SCIEX) with gradient elution (0.1% formic acid in water and acetonitrile). High-resolution full-scan mass spectrometry (MS) and information-dependent acquisition MS/MS data were analyzed with MetabolitePilot (AB SCIEX) using different data processing algorithms. Both drugs had intermediate clearance. We identified 23 AB-PINACA metabolites, generated by carboxamide hydrolysis, hydroxylation, ketone formation, carboxylation, epoxide formation with subsequent hydrolysis, or reaction combinations. We identified 18 5F-AB-PINACA metabolites, generated by the same biotransformations and oxidative defluorination producing 5-hydroxypentyl and pentanoic acid metabolites shared with AB-PINACA. Authentic urine specimens documented presence of these metabolites. AB-PINACA and 5F-AB-PINACA produced suggested metabolite patterns. AB-PINACA was predominantly hydrolyzed to AB-PINACA carboxylic acid, carbonyl-AB-PINACA, and hydroxypentyl AB-PINACA, likely in 4-position. The most intense 5F-AB

  2. Phylogenetic and environmental diversity of DsrAB-type dissimilatory (bi)sulfite reductases

    PubMed Central

    Müller, Albert Leopold; Kjeldsen, Kasper Urup; Rattei, Thomas; Pester, Michael; Loy, Alexander

    2015-01-01

    The energy metabolism of essential microbial guilds in the biogeochemical sulfur cycle is based on a DsrAB-type dissimilatory (bi)sulfite reductase that either catalyzes the reduction of sulfite to sulfide during anaerobic respiration of sulfate, sulfite and organosulfonates, or acts in reverse during sulfur oxidation. Common use of dsrAB as a functional marker showed that dsrAB richness in many environments is dominated by novel sequence variants and collectively represents an extensive, largely uncharted sequence assemblage. Here, we established a comprehensive, manually curated dsrAB/DsrAB database and used it to categorize the known dsrAB diversity, reanalyze the evolutionary history of dsrAB and evaluate the coverage of published dsrAB-targeted primers. Based on a DsrAB consensus phylogeny, we introduce an operational classification system for environmental dsrAB sequences that integrates established taxonomic groups with operational taxonomic units (OTUs) at multiple phylogenetic levels, ranging from DsrAB enzyme families that reflect reductive or oxidative DsrAB types of bacterial or archaeal origin, superclusters, uncultured family-level lineages to species-level OTUs. Environmental dsrAB sequences constituted at least 13 stable family-level lineages without any cultivated representatives, suggesting that major taxa of sulfite/sulfate-reducing microorganisms have not yet been identified. Three of these uncultured lineages occur mainly in marine environments, while specific habitat preferences are not evident for members of the other 10 uncultured lineages. In summary, our publically available dsrAB/DsrAB database, the phylogenetic framework, the multilevel classification system and a set of recommended primers provide a necessary foundation for large-scale dsrAB ecology studies with next-generation sequencing methods. PMID:25343514

  3. Laser Photochemistry.

    DTIC Science & Technology

    1981-07-01

    reaction due to decreased adsorption of the species on the catalytic surface. For example, i. . . 41 in the catalytic decomposition of formic acid ...over platinum (Ulmstead and Lin, 1978), the preexcitation of the gaseous formic acid molecules (by a 10 W/cm2 CW CO2 laser) resulted in a 50% increase...attention is given to selective and thermal excitation and the role of multiphonon couplings, heterogeneous catalysis , and chemical vapor deposition and

  4. Making a Laser Level

    ERIC Educational Resources Information Center

    Hawkins, Harry

    2004-01-01

    This article describes how to construct a laser level. This laser level can be made using a typical 4' (or shorter) bubble level and a small laser point. The laser unit is detachable, so the bubble level can also be used in the conventional way. However, the laser level works better than a simple bubble level. Making this inexpensive device is an…

  5. Infrared Lasers in Chemistry.

    ERIC Educational Resources Information Center

    John, Phillip

    1982-01-01

    Selected infrared laser chemistry topics are discussed including carbon dioxide lasers, infrared quanta and molecules, laser-induced chemistry, structural isomerization (laser purification, sensitized reactions, and dielectric breakdown), and fundamental principles of laser isotope separation, focusing on uranium isotope separation. (JN)

  6. Project LASER

    NASA Technical Reports Server (NTRS)

    1990-01-01

    NASA formally launched Project LASER (Learning About Science, Engineering and Research) in March 1990, a program designed to help teachers improve science and mathematics education and to provide 'hands on' experiences. It featured the first LASER Mobile Teacher Resource Center (MTRC), is designed to reach educators all over the nation. NASA hopes to operate several MTRCs with funds provided by private industry. The mobile unit is a 22-ton tractor-trailer stocked with NASA educational publications and outfitted with six work stations. Each work station, which can accommodate two teachers at a time, has a computer providing access to NASA Spacelink. Each also has video recorders and photocopy/photographic equipment for the teacher's use. MTRC is only one of the five major elements within LASER. The others are: a Space Technology Course, to promote integration of space science studies with traditional courses; the Volunteer Databank, in which NASA employees are encouraged to volunteer as tutors, instructors, etc; Mobile Discovery Laboratories that will carry simple laboratory equipment and computers to provide hands-on activities for students and demonstrations of classroom activities for teachers; and the Public Library Science Program which will present library based science and math programs.

  7. 75 FR 77796 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-14

    ... TRANSPORTATION Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Saab AB..., except Federal holidays. For service information identified in this proposed AD, contact Saab AB, Saab... the MCAI in the AD docket. Relevant Service Information Saab AB, Saab Aerosystems has issued...

  8. 76 FR 19719 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-08

    ... Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab... Friday, except Federal holidays. For service information identified in this proposed AD, contact Saab AB...), 40113, 44701. Sec. 39.13 2. The FAA amends Sec. 39.13 by adding the following new AD: Saab AB,...

  9. 45 CFR 233.21 - Budgeting methods for OAA, AB, APTD, and AABD.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 2 2014-10-01 2012-10-01 true Budgeting methods for OAA, AB, APTD, and AABD. 233.21 Section 233.21 Public Welfare Regulations Relating to Public Welfare OFFICE OF FAMILY ASSISTANCE..., AB, APTD, and AABD. (a) Requirements for State plans. A State plan for OAA, AB, APTD, and AABD...

  10. 45 CFR 233.21 - Budgeting methods for OAA, AB, APTD, and AABD.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 2 2012-10-01 2012-10-01 false Budgeting methods for OAA, AB, APTD, and AABD. 233.21 Section 233.21 Public Welfare Regulations Relating to Public Welfare OFFICE OF FAMILY ASSISTANCE..., AB, APTD, and AABD. (a) Requirements for State plans. A State plan for OAA, AB, APTD, and AABD...

  11. 76 FR 31508 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-01

    ... Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab..., contact Saab AB, Saab Aerosystems, SE-581 88, Link ping, Sweden; telephone +46 13 18 5591; fax +46 13 18... Information Saab AB, Saab Aerosystems has issued Service Bulletin 2000-53-048, Revision 01, dated September...

  12. 45 CFR 233.21 - Budgeting methods for OAA, AB, APTD, and AABD.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 2 2011-10-01 2011-10-01 false Budgeting methods for OAA, AB, APTD, and AABD. 233.21 Section 233.21 Public Welfare Regulations Relating to Public Welfare OFFICE OF FAMILY ASSISTANCE..., AB, APTD, and AABD. (a) Requirements for State plans. A State plan for OAA, AB, APTD, and AABD...

  13. 45 CFR 233.21 - Budgeting methods for OAA, AB, APTD, and AABD.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 2 2013-10-01 2012-10-01 true Budgeting methods for OAA, AB, APTD, and AABD. 233.21 Section 233.21 Public Welfare Regulations Relating to Public Welfare OFFICE OF FAMILY ASSISTANCE..., AB, APTD, and AABD. (a) Requirements for State plans. A State plan for OAA, AB, APTD, and AABD...

  14. 76 FR 53301 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-26

    ...-16787; AD 2011-18-05] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000..., 44701. Sec. 39.13 0 2. The FAA amends Sec. 39.13 by adding the following new AD: 2011-18-05 Saab AB...) None. Applicability (c) This AD applies to Saab AB, Saab Aerosystems Model SAAB 2000...

  15. 76 FR 41665 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-15

    ...-111-AD; Amendment 39-16747; AD 2011-14-12] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab... 2. The FAA amends Sec. 39.13 by adding the following new AD: 2011-14-12 Saab AB, Saab Aerosystems... applies to all Saab AB, Saab Aerosystems Model SAAB 2000 airplanes, certificated in any category....

  16. 76 FR 13072 - Airworthiness Directives; Saab AB, Saab Aerosystems Model SAAB 2000 Airplanes

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-10

    ...-145-AD; Amendment 39-16623; AD 2011-05-13] RIN 2120-AA64 Airworthiness Directives; Saab AB, Saab... 2. The FAA amends Sec. 39.13 by adding the following new AD: 2011-05-13 Saab AB, Saab Aerosystems... applies to all Saab AB, Saab Aerosystems Model SAAB 2000 airplanes, certificated in any category....

  17. 76 FR 20082 - Koenigsegg Automotive AB; Morgan Motor Company Limited; Receipt of Applications for Renewals of...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-11

    ... National Highway Traffic Safety Administration Koenigsegg Automotive AB; Morgan Motor Company Limited... for comments. SUMMARY: In accordance with the procedures in 49 CFR Part 555, Koenigsegg Automotive AB.... 30113 and the procedures in 49 CFR Part 555, Koenigsegg Automotive AB (``Koenigsegg'') and Morgan...

  18. Separable metamaterials: analytical ab-initio homogenization and chirality

    NASA Astrophysics Data System (ADS)

    Ciattoni, Alessandro; Rago, Domenico; Rizza, Carlo

    2016-11-01

    We investigate the ab-initio homogenization of separable metamaterials with factorized dielectric permittivity profiles, which can be achieved through suitable grey-scale permittivity design techniques. Separability allows such metamaterials to be physically regarded as the superposition of three fictitious 1D generating media. We prove that, in the long-wavelength limit, separable metamaterials admit a simple and analytical description of their electromagnetic bi-anisotropic response, which can be reconstructed from the properties of the 1D generating media. Our approach provides a strategy that allows the full ab-initio and flexible design of a complex bianisotropic response by using the simple and well-known properties of 1D metamaterials.

  19. Concluding remarks of Autonomous Biological Systems (ABS) experiments.

    PubMed

    Ishikawa, Y; Kobayashi, K; Mizutani, H; Kawasaki, Y; Koike, J; Ijiri, K; Yamashita, M; Sugiura, K; Poynter, J; MacCallum, T; Anderson, G

    1998-12-01

    Team efforts for analysis on the Autonomous Biological Systems (ABS) space experiments are summarized here to conclude scientific findings, and to scope the extended studies in future. From the three experiments on Space Shuttle and Space Station Mir, a closed ecological system modeled by the ABS was verified to be capable of sustaining its members of animals and plants under space environment for a period of several months. The animals successfully completed their life cycle in space during the course of these experiments, this was the first time that the life cycle of higher organisms had been completed in space and ecological system. Importance of gravity for ecology was proven at the same time. Gravity is a dominant factor for ecology by formulating spatial patterns and distribution of members of ecological system. Under microgravity, the fate of ecological system was found highly sensitive against the variation of environmental factor, such as light illumination cycle.

  20. High Level Ab Initio Kinetics as a Tool for Astrochemistry

    NASA Astrophysics Data System (ADS)

    Klippenstein, Stephen

    2015-05-01

    We will survey the application of ab initio theoretical kinetics to reactions of importance to astrochemistry. Illustrative examples will be taken from our calculations for (i) interstellar chemistry, (ii) Titan's atmospheric chemistry, and (iii) the chemistry of extrasolar giant planets. The accuracy of various aspects of the calculations will be summarized including (i) the underlying ab initio electronic structure calculations, (ii) the treatment of the high pressure recombination process, and (iii) the treatment of the pressure dependence of the kinetics. The applications will consider the chemistry of phosphorous on giant planets, the kinetics of water dimerization, the chemistry of nitrogen on Titan's atmosphere, as well as various reactions of interstellar chemistry interest such as the recombination of OH with H, and O(3P) reacting with C2H5, CH2, and CCS. Chemical Sciences and Engineering Division.

  1. Ab Initio Calculations Of Light-Ion Reactions

    SciTech Connect

    Navratil, P; Quaglioni, S; Roth, R; Horiuchi, W

    2012-03-12

    The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of nuclear forces, one faces the quantum-mechanical many-nucleon problem governed by an interplay between bound and continuum states. In recent years, significant progress has been made in ab initio nuclear structure and reaction calculations based on input from QCD employing Hamiltonians constructed within chiral effective field theory. In this contribution, we present one of such promising techniques capable of describing simultaneously both bound and scattering states in light nuclei. By combining the resonating-group method (RGM) with the ab initio no-core shell model (NCSM), we complement a microscopic cluster approach with the use of realistic interactions and a microscopic and consistent description of the clusters. We discuss applications to light nuclei scattering, radiative capture and fusion reactions.

  2. Ab initio theories for light nuclei and neutron stars

    NASA Astrophysics Data System (ADS)

    Gezerlis, Alexandros

    2016-09-01

    In this talk I will touch upon several features of modern ab initio low-energy nuclear theory. I will start by discussing what ``ab initio'' means in this context. Specifically, I will spend some time going over nucleon-nucleon and three-nucleon interactions and their connections with the underlying theory of Quantum Chromodynamics. I will then show how these interactions are used to describe light nuclei using essentially exact few-body methods. I will then discuss heavier systems, especially those of astrophysical relevance, as well as the methods used to tackle them. This work was supported by the Natural Sciences and Engineering Research Council (NSERC) of Canada and the Canada Foundation for Innovation (CFI).

  3. Spin-orbit decomposition of ab initio nuclear wave functions

    NASA Astrophysics Data System (ADS)

    Johnson, Calvin W.

    2015-03-01

    Although the modern shell-model picture of atomic nuclei is built from single-particle orbits with good total angular momentum j , leading to j -j coupling, decades ago phenomenological models suggested that a simpler picture for 0 p -shell nuclides can be realized via coupling of the total spin S and total orbital angular momentum L . I revisit this idea with large-basis, no-core shell-model calculations using modern ab initio two-body interactions and dissect the resulting wave functions into their component L - and S -components. Remarkably, there is broad agreement with calculations using the phenomenological Cohen-Kurath forces, despite a gap of nearly 50 years and six orders of magnitude in basis dimensions. I suggest that L -S decomposition may be a useful tool for analyzing ab initio wave functions of light nuclei, for example, in the case of rotational bands.

  4. Characterization of X-ray flare properties of AB Dor

    NASA Astrophysics Data System (ADS)

    Lalitha, S.

    The strong similarities between the flares observed on the Sun and in low mass stars has raised question regarding dynamo in these stars. Using the Sun as a prototype, one may be able to address this. In this paper, we present an analysis of 30 intense X-ray flares observed from AB Dor. These flares detected in XMM-Newton data show a rapid rise (500-3000 s) and a slow decay (1000-6000 s). Our studies suggest that the scaling law between the flare peak emission measure and the flare peak temperature for all the flares observed on AB Dor is very similar to the relationship followed by solar flares. Furthermore, we obtain the frequency distribution of flare energies which is a crucial diagnostic to calculate the overall energy residing in a flare. Our results of this study indicate that the large flare (1033 <= E <= 1034 erg) may not contribute to the heating of the corona.

  5. Laser nitriding and laser carburizing of surfaces

    NASA Astrophysics Data System (ADS)

    Schaaf, Peter

    2003-11-01

    Laser irradiation of surfaces with short pulses in reactive atmospheres (nitrogen, methane) can lead to very effective nitrification and carburization via complicated laser-surface-gas-plasma-interactions. This laser nitriding and laser carburizing and their basic underlying phenomena will be presented and partly explained by results of example materials (iron, titanium, aluminum, silicon) where nitride and carbide coatings can be formed by fast and easily by Excimer Laser, Nd:YAG laser, Free Electron Laser and also by femtosecond Ti:sapphire laser. This implies laser pulse durations from the nanosecond to the femtosecond regime and wavelengths from ultra-violet to infrared. The resulting surfaces, thin films, coatings and their properties are investigated by combining Mossbauer Spectroscopy, x-ray diffraction, x-ray absorption spectroscopy, Nanoindentation, Resonant Nuclear Reaction Analysis, and Rutherford Backscattering Spectroscopy.

  6. Thermal pillow: an unusual causative agent of erythema ab igne.

    PubMed

    Turan, Enver; Yeşilova, Yavuz; Uçmak, Derya; Çelik, Özgür İlhan

    2013-01-01

    Erythema ab igne (EAI), also known as "toasted skin syndrome" or "heatinduced circumscribed dermal melanosis", presents with pigmented reticular skin lesions with telangiectasias due to prolonged thermal radiation exposure. This article describes a 16-year-old male patient with EAI due to the use of a thermal pillow, and discusses a potential causative agent of EAI. The potential hazards of misusing new technological equipment and the importance of consumer education are also discussed.

  7. Ab Initio Atomistic Thermodynamics for Surfaces: A Primer

    DTIC Science & Technology

    2006-02-01

    Ab Initio Atomistic Thermodynamics for Surfaces: A Primer Jutta Rogal and Karsten Reuter Fritz - Haber -Institut der Max-Planck-Gesellschaft... Fritz - Haber -Institut der Max-Planck-Gesellschaft Faradayweg 4-6 D-14195 Berlin Germany 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING...of the Fritz - Haber -Institut, in particular Wei-Xue Li, Cathy Stampfl and Mira Todorova. Particular thanks go to Matthias Scheffler for his continued

  8. Thermochemical data for CVD modeling from ab initio calculations

    SciTech Connect

    Ho, P.; Melius, C.F.

    1993-12-31

    Ab initio electronic-structure calculations are combined with empirical bond-additivity corrections to yield thermochemical properties of gas-phase molecules. A self-consistent set of heats of formation for molecules in the Si-H, Si-H-Cl, Si-H-F, Si-N-H and Si-N-H-F systems is presented, along with preliminary values for some Si-O-C-H species.

  9. Probing the A-B interface of superfluid helium-3

    NASA Astrophysics Data System (ADS)

    Haley, Richard

    2015-03-01

    At temperatures around 1 mK helium-3 forms a BCS spin triplet condensate. The order parameter is sufficiently complex that more than one superfluid phase exists, each exhibiting a different broken symmetry, and there is a model first order transition between the two most stable phases, labeled A and B. The Lancaster Ultra-Low Temperature Group has developed techniques to probe the properties of the A-B interface in the deep sub-mK regime where the superfluid is in the pure condensate limit. Shaped and controllable magnetic fields are used to induce the transition, and to stabilize and move the A-B phase boundary inside the experimental volume. The latent heat of the transition has been measured, and the nucleation behavior shown to be incompatible with conventional thermodynamic models. Since superfluid helium-3 is inherently pure, and the order parameter transforms continuously across the A-B interface, it is the most coherent two-dimensional structure to which we have experimental access. It has been proposed that this 2D surface in the surrounding 3D bulk volume is a good analog of a cosmological brane separating two distinct quantum vacuum states; experiments that simulate brane annihilation and the creation of topological defects have been carried out at Lancaster. Other investigations have included measurements of the surface tension and wetting behavior of the interface. During these studies it was discovered that a large, unpredicted frictional force was acting on the interface even though it is moving through a pure superfluid. Recent breakthrough work on the dynamics of the A-B interface has finally solved this puzzle. Current experiments include a setup where the interface region is probed directly using quartz tuning fork resonators that couple to the local density of broken Cooper pair quasiparticle excitations and thus give insight into the order parameter energy gap structure as A transforms to B.

  10. The study of molecular spectroscopy by ab initio methods

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.

    1991-01-01

    This review illustrates the potential of theory for solving spectroscopic problems. The accuracy of approximate techniques for including electron correlation have been calibrated by comparison with full configuration-interaction calculations. Examples of the application of ab initio calculations to vibrational, rotational, and electronic spectroscopy are given. It is shown that the state-averaged, complete active space self-consistent field, multireference configuration-interaction procedure provides a good approach for treating several electronic states accurately in a common molecular orbital basis.

  11. Evaluation of a novel feline AB blood typing device.

    PubMed

    Hourani, Layla; Weingart, Christiane; Kohn, Barbara

    2014-10-01

    This prospective study evaluated a novel immunochromatographic (IC) blood typing test for the AB blood group system. Typing was conducted comparatively on ethylenediamine tetra-acetic acid-anticoagulated blood samples from 89 sick and 16 healthy cats with the IC test, as well as two tests as reference methods, a tube agglutination and a gel column test. The samples were between 0 and 10 days old (median 3 days) and were tested for haemolysis and agglutination; the packed cell volume ranged from 0.07 to 0.57 l/l (median 0.40 l/l). The reference methods agreed with each other in 100% of the test runs. Of the 85 samples tested as blood type A by the two reference methods, 80 were correctly identified by the IC test, four were misidentified as AB and one was rated inconclusive. All B samples were correctly typed. Two of the three AB samples were correctly identified by the IC test and one was rated inconclusive. The sample quality had no influence on test performance. Of 30 repeats, 28 were readable and showed agreement in 27 cases. The agreement of the IC test with the control methods was 96.1% for the 103 conclusive tests, and it showed high sensitivity and specificity for A and B antigen detection. It is suggested that AB results be reconfirmed with a laboratory method and that a 'back-typing' be performed with plasma from B samples to detect the presence of alloantibodies. Given its very good performance and ease of use, the IC test can be recommended for clinical settings.

  12. GAUSSIAN 76: An ab initio Molecular Orbital Program

    DOE R&D Accomplishments Database

    Binkley, J. S.; Whiteside, R.; Hariharan, P. C.; Seeger, R.; Hehre, W. J.; Lathan, W. A.; Newton, M. D.; Ditchfield, R.; Pople, J. A.

    1978-01-01

    Gaussian 76 is a general-purpose computer program for ab initio Hartree-Fock molecular orbital calculations. It can handle basis sets involving s, p and d-type Gaussian functions. Certain standard sets (STO-3G, 4-31G, 6-31G*, etc.) are stored internally for easy use. Closed shell (RHF) or unrestricted open shell (UHF) wave functions can be obtained. Facilities are provided for geometry optimization to potential minima and for limited potential surface scans.

  13. Ab initio calculations for industrial materials engineering: successes and challenges.

    PubMed

    Wimmer, Erich; Najafabadi, Reza; Young, George A; Ballard, Jake D; Angeliu, Thomas M; Vollmer, James; Chambers, James J; Niimi, Hiroaki; Shaw, Judy B; Freeman, Clive; Christensen, Mikael; Wolf, Walter; Saxe, Paul

    2010-09-29

    Computational materials science based on ab initio calculations has become an important partner to experiment. This is demonstrated here for the effect of impurities and alloying elements on the strength of a Zr twist grain boundary, the dissociative adsorption and diffusion of iodine on a zirconium surface, the diffusion of oxygen atoms in a Ni twist grain boundary and in bulk Ni, and the dependence of the work function of a TiN-HfO(2) junction on the replacement of N by O atoms. In all of these cases, computations provide atomic-scale understanding as well as quantitative materials property data of value to industrial research and development. There are two key challenges in applying ab initio calculations, namely a higher accuracy in the electronic energy and the efficient exploration of large parts of the configurational space. While progress in these areas is fueled by advances in computer hardware, innovative theoretical concepts combined with systematic large-scale computations will be needed to realize the full potential of ab initio calculations for industrial applications.

  14. Pressure tracking control of vehicle ABS using piezo valve modulator

    NASA Astrophysics Data System (ADS)

    Jeon, Juncheol; Choi, Seung-Bok

    2011-03-01

    This paper presents a wheel slip control for the ABS(anti-lock brake system) of a passenger vehicle using a controllable piezo valve modulator. The ABS is designed to optimize for braking effectiveness and good steerability. As a first step, the principal design parameters of the piezo valve and pressure modulator are appropriately determined by considering the braking pressure variation during the ABS operation. The proposed piezo valve consists of a flapper, pneumatic circuit and a piezostack actuator. In order to get wide control range of the pressure, the pressure modulator is desired. The modulator consists of a dual-type cylinder filled with different substances (fluid and gas) and a piston rod moving vertical axis to transmit the force. Subsequently, a quarter car wheel slip model is formulated and integrated with the governing equation of the piezo valve modulator. A sliding mode controller to achieve the desired slip rate is then designed and implemented. Braking control performances such as brake pressure and slip rate are evaluated via computer simulations.

  15. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.

    PubMed

    Makhov, Dmitry V; Glover, William J; Martinez, Todd J; Shalashilin, Dmitrii V

    2014-08-07

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as "cloning," in analogy to the "spawning" procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, "trains," as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  16. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    SciTech Connect

    Draayer, Jerry P.

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  17. Diffusion in liquid Germanium using ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Kulkarni, R. V.; Aulbur, W. G.; Stroud, D.

    1996-03-01

    We describe the results of calculations of the self-diffusion constant of liquid Ge over a range of temperatures. The calculations are carried out using an ab initio molecular dynamics scheme which combines an LDA model for the electronic structure with the Bachelet-Hamann-Schlüter norm-conserving pseudopotentials^1. The energies associated with electronic degrees of freedom are minimized using the Williams-Soler algorithm, and ionic moves are carried out using the Verlet algorithm. We use an energy cutoff of 10 Ry, which is sufficient to give results for the lattice constant and bulk modulus of crystalline Ge to within 1% and 12% of experiment. The program output includes not only the self-diffusion constant but also the structure factor, electronic density of states, and low-frequency electrical conductivity. We will compare our results with other ab initio and semi-empirical calculations, and discuss extension to impurity diffusion. ^1 We use the ab initio molecular dynamics code fhi94md, developed at 1cm the Fritz-Haber Institute, Berlin. ^2 Work supported by NASA, Grant NAG3-1437.

  18. Copper bioaccumulation by the actinobacterium Amycolatopsis sp. AB0.

    PubMed

    Albarracín, Virginia Helena; Winik, Beatriz; Kothe, Erika; Amoroso, María Julia; Abate, Carlos Mauricio

    2008-10-01

    Amycolatopsis sp. AB0, a copper resistant actinobacterium isolated from polluted sediments, has shown high copper specific biopsortion ability (25 mg g(-1)). Two approaches were used to confirm metal accumulation in growing cells of Amycolatopsis sp. AB0; we performed subcellular fractioning assays which showed that the retained copper was associated with the extra-cellular fraction (exopolymer, 40%), but mainly within the cells. Intracellular distribution of copper was: 86% in the cytosolic fraction, 11% at the cell wall and 3% associated with the ribosome/membrane fraction. Its copper bioaccumulation ability was corroborated by using silver enhanced staining of copper with the Timm's reagent technique, which has not been used to detect metal deposits in bacteria before. In addition, we constructed specific oligonucleotides for targeting genes coding for copper P-Type ATPases that could be involved in the copper uptake ability of this strain. A 607 bp DNA fragment was amplified and sequenced from Amycolatopsis sp AB0. BLAST search analysis showed 71% protein homology of the deduced sequence with a putative cation-transporting ATPase of Nocardia farcinica and 65% with a copper translocating ATPase of Mycobacterium flavescens. To our knowledge this is the first report of the presence of copper P-type ATPase genes in the Amycolotopsis genus.

  19. Ab initio molecular dynamics using hybrid density functionals.

    PubMed

    Guidon, Manuel; Schiffmann, Florian; Hutter, Jürg; VandeVondele, Joost

    2008-06-07

    Ab initio molecular dynamics simulations with hybrid density functionals have so far found little application due to their computational cost. In this work, an implementation of the Hartree-Fock exchange is presented that is specifically targeted at ab initio molecular dynamics simulations of medium sized systems. We demonstrate that our implementation, which is available as part of the CP2K/Quickstep program, is robust and efficient. Several prescreening techniques lead to a linear scaling cost for integral evaluation and storage. Integral compression techniques allow for in-core calculations on systems containing several thousand basis functions. The massively parallel implementation respects integral symmetry and scales up to hundreds of CPUs using a dynamic load balancing scheme. A time-reversible multiple time step scheme, exploiting the difference in computational efficiency between hybrid and local functionals, brings further time savings. With extensive simulations of liquid water, we demonstrate the ability to perform, for several tens of picoseconds, ab initio molecular dynamics based on hybrid functionals of systems in the condensed phase containing a few thousand Gaussian basis functions.

  20. Ab initio molecular dynamics using hybrid density functionals

    NASA Astrophysics Data System (ADS)

    Guidon, Manuel; Schiffmann, Florian; Hutter, Jürg; Vandevondele, Joost

    2008-06-01

    Ab initio molecular dynamics simulations with hybrid density functionals have so far found little application due to their computational cost. In this work, an implementation of the Hartree-Fock exchange is presented that is specifically targeted at ab initio molecular dynamics simulations of medium sized systems. We demonstrate that our implementation, which is available as part of the CP2K/Quickstep program, is robust and efficient. Several prescreening techniques lead to a linear scaling cost for integral evaluation and storage. Integral compression techniques allow for in-core calculations on systems containing several thousand basis functions. The massively parallel implementation respects integral symmetry and scales up to hundreds of CPUs using a dynamic load balancing scheme. A time-reversible multiple time step scheme, exploiting the difference in computational efficiency between hybrid and local functionals, brings further time savings. With extensive simulations of liquid water, we demonstrate the ability to perform, for several tens of picoseconds, ab initio molecular dynamics based on hybrid functionals of systems in the condensed phase containing a few thousand Gaussian basis functions.

  1. A highly accurate ab initio potential energy surface for methane

    NASA Astrophysics Data System (ADS)

    Owens, Alec; Yurchenko, Sergei N.; Yachmenev, Andrey; Tennyson, Jonathan; Thiel, Walter

    2016-09-01

    A new nine-dimensional potential energy surface (PES) for methane has been generated using state-of-the-art ab initio theory. The PES is based on explicitly correlated coupled cluster calculations with extrapolation to the complete basis set limit and incorporates a range of higher-level additive energy corrections. These include core-valence electron correlation, higher-order coupled cluster terms beyond perturbative triples, scalar relativistic effects, and the diagonal Born-Oppenheimer correction. Sub-wavenumber accuracy is achieved for the majority of experimentally known vibrational energy levels with the four fundamentals of 12CH4 reproduced with a root-mean-square error of 0.70 cm-1. The computed ab initio equilibrium C-H bond length is in excellent agreement with previous values despite pure rotational energies displaying minor systematic errors as J (rotational excitation) increases. It is shown that these errors can be significantly reduced by adjusting the equilibrium geometry. The PES represents the most accurate ab initio surface to date and will serve as a good starting point for empirical refinement.

  2. Ab initio rotation-vibration spectra of HCN and HNC

    NASA Astrophysics Data System (ADS)

    Harris, Gregory J.; Polyansky, Oleg L.; Tennyson, Jonathan

    2002-03-01

    We have calculated an ab initio HCN/HNC linelist for all transitions up to J=25 and 18 000 cm -1 above the zero point energy. This linelist contains more than 200 million lines each with frequencies and transition dipoles. The linelist has been calculated using our semi-global HCN/HNC VQZANO+PES and dipole moment surface, which were reported in van Mourik et al. (J. Chem. Phys. 115 (2001) 3706). With this linelist we synthesise absorption spectra of HCN and HNC at 298 K and we present the band centre and band transition dipoles for the bands which are major features in these spectra. Several of the HCN bands and many of the HNC bands have not been previously studied. Our line intensities reproduce via fully ab initio methods the unusual intensity structure of the HCN CN stretch fundamental (00 01) for the first time and also the forbidden (02 20) HCN bending overtone. We also compare the J=1→0 pure rotational transition dipole in the HCN/HNC ground and vibrationally excited states with experimental and existing ab initio results.

  3. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

    SciTech Connect

    Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.; Martinez, Todd J.

    2014-08-07

    We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCE allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.

  4. Studies on the runaway reaction of ABS polymerization process.

    PubMed

    Hu, Kwan-Hua; Kao, Chen-Shan; Duh, Yih-Shing

    2008-11-15

    Taiwan has the largest acrylonitrile-butadiene-styrene (ABS) copolymer production in the world. Preventing on unexpected exothermic reactions and related emergency relief hazard is essential in the safety control of ABS emulsion polymerization. A VSP2 (Vent Sizing Package 2) apparatus is capable of studying both normal and abnormal conditions (e.g., cooling failure, mischarge, etc.) of industrial process. In this study, the scenarios were verified from the following abnormal conditions: loss of cooling, double charge of initiator, overcharge of monomer, without charge of solvent, and external fire. An external fire with constant heating will promote higher self-heat rate and this is recommended as the worst case scenario of emulsion polymerization on butadiene. Cooling failure coupled with bulk system of reactant was determined to be the credible worst case in ABS emulsion polymerization. Finally, the emergency vent sizing based on thermokinetics from VSP associated with DIERS methodology were used for evaluating the vent sizing and compared to that of the industrial plants.

  5. Parainfluenza virus type 3 Ab in allogeneic hematopoietic cell transplant recipients: factors influencing post-transplant Ab titers and associated outcomes.

    PubMed

    Seo, S; Xie, H; Karron, R A; Thumar, B; Englund, J A; Leisenring, W M; Stevens-Ayers, T; Boeckh, M; Campbell, A P

    2014-09-01

    Parainfluenza virus type 3 (PIV-3) can cause severe respiratory illness among hematopoietic cell transplantation (HCT) recipients. Factors associated with PIV-3-specific Ab level, and the association between PIV-3 Ab levels and clinical outcomes in HCT recipients who acquire PIV-3 infection, are unknown. We evaluated PIV-3-specific hemagglutination inhibition Ab levels and clinical outcomes among 172 patients with PIV-3 infection following HCT. In a multivariable linear regression model, high post-transplantation Ab levels were independently associated with higher pre-transplantation recipient titer (mean difference 0.38 (95% confidence interval (CI), 0.26, 0.50), P<0.001). Significant associations between pre-HCT Ab titers in both patients and donors and occurrence of lower respiratory tract disease (LRD) after HCT were not observed. In conclusion, low pre-transplantation titers are associated with low Ab levels after HCT. The relationship between PIV-3 Ab levels and outcomes remain uncertain. Further study is needed to prospectively evaluate the dynamics of PIV-3-specific Ab responses and the relative contribution of PIV-3-specific Ab to protection from infection acquisition and progression to LRD.

  6. Laser therapy (image)

    MedlinePlus

    A laser is used for many medical purposes. Because the laser beam is so small and precise, it enables ... without injuring surrounding tissue. Some uses of the laser are retinal surgery, excision of lesions, and cauterization ...

  7. Lasers in Medicine.

    ERIC Educational Resources Information Center

    Hill, P. D.

    1989-01-01

    Described are the characteristics of the laser and its effects on the body. Discussed are examples of laser treatments, including angioplasty, ophthalmology, and dermatology. A discussion of lasers of clinical interest and their applications is presented. (YP)

  8. Laser-Driven Fusion.

    ERIC Educational Resources Information Center

    Gibson, A. F.

    1980-01-01

    Discusses the present status and future prospects of laser-driven fusion. Current research (which is classified under three main headings: laser-matter interaction processes, compression, and laser development) is also presented. (HM)

  9. Diode Laser Arrays

    NASA Astrophysics Data System (ADS)

    Botez, Dan; Scifres, Don R.

    2005-11-01

    Contributors; 1. Monolithic phase-locked semiconductor laser arrays D. Botez; 2. High power coherent, semiconductor laser master oscillator power amplifiers and amplifier arrays D. F. Welch and D. G. Mehuys; 3. Microoptical components applied to incoherent and coherent laser arrays J. R. Leger; 4. Modeling of diode laser arrays G. R. Hadley; 5. Dynamics of coherent semiconductor laser arrays H. G. Winfuland and R. K. Defreez; 6. High average power semiconductor laser arrays and laser array packaging with an emphasis for pumping solid state lasers R. Solarz; 7. High power diode laser arrays and their reliability D. R. Scifres and H. H. Kung; 8. Strained layer quantum well heterostructure laser arrays J. J. Coleman; 9. Vertical cavity surface emitting laser arrays C. J. Chang-Hasnain; 10. Individually addressed arrays of diode lasers D. Carlin.

  10. Lasers in Cancer Treatment

    MedlinePlus

    ... to treat cancer: carbon dioxide (CO 2 ) lasers, argon lasers, and neodymium: yttrium -aluminum-garnet (Nd:YAG) ... can be used with endoscopes. CO 2 and argon lasers can cut the skin’s surface without going ...

  11. Laser Weapons for Naval Applications

    DTIC Science & Technology

    2012-03-27

    IPG fiber lasers , 10 kW/ fiber 7 • Output wavelength is tunable (can operate in atmospheric window) Free Electron Lasers ...Multiple kilowatts over multiple kilometers • Laser power converters can be highly efficient, > 60 % • Fiber lasers are highly compact and... lasers - Free electron lasers • Background • Laser candidates • Additional capabilities - Power beaming 3 Laser Lethality -

  12. Probing Inflationary Cosmology: The Atacama B-Mode Search (ABS)

    NASA Astrophysics Data System (ADS)

    Essinger-Hileman, Thomas

    Observations of the Cosmic Microwave Background (CMB) have provided compelling evidence for the Standard Model of Cosmology and have led to the most precise estimates of cosmological parameters to date. Through its sensitivity to gravitational waves, the CMB provides a glimpse into the state of the universe just 10-35 seconds after the Big Bang and of physics on grand-unification-theory (GUT) energy scales around 1016 GeV, some 13 orders of magnitude above the energies achievable by current terrestrial particle accelerators. A gravitational-wave background (GWB) in the early universe would leave a unique, odd-parity pattern of polarization in the CMB called B modes, the magnitude of which is characterized by the tensor-to-scalar ratio, r. A GWB is generically predicted to exist by inflationary theories, and the current generation of CMB polarization experiments will probe the interesting parameter space of r < 0.05 corresponding to single-field inflationary models at GUT scales. I detail the design and construction of the Atacama B-Mode Search (ABS), which aims to measure the polarization of the CMB at degree angular scales where the primordial B-mode signal is expected to peak. ABS is a 145-GHz polarimeter that will operate from a high-altitude site in the Atacama Desert of Chile, consisting of a 60-cm crossed-Dragone telescope with cryogenic primary and secondary reflectors; an array of 240 feedhorn-coupled, transition-edge-sensor, bolometric polarimeters; and, a continuously-rotating, warm, sapphire half-wave plate (HWP) that will provide modulation of the incoming polarization of light. In this thesis, I describe the optical, mechanical, and cryogenic design of the receiver, including the reflector design, focal-plane layout, HWP design, and free-space lowpass filters. I describe physical-optics modeling of the reflector and feedhorn to validate the optical design. A matrix model that allows the calculation of the Mueller matrix of the anti

  13. Laser Isotope Separation Employing Condensation Repression

    SciTech Connect

    Eerkens, Jeff W.; Miller, William H.

    2004-09-15

    Molecular laser isotope separation (MLIS) techniques using condensation repression (CR) harvesting are reviewed and compared with atomic vapor laser isotope separation (AVLIS), gaseous diffusion (DIF), ultracentrifuges (UCF), and electromagnetic separations (EMS). Two different CR-MLIS or CRISLA (Condensation Repression Isotope Separation by Laser Activation) approaches have been under investigation at the University of Missouri (MU), one involving supersonic super-cooled free jets and dimer formation, and the other subsonic cold-wall condensation. Both employ mixtures of an isotopomer (e.g. {sup i}QF{sub 6}) and a carrier gas, operated at low temperatures and pressures. Present theories of VT relaxation, dimerization, and condensation are found to be unsatisfactory to explain/predict experimental CRISLA results. They were replaced by fundamentally new models that allow ab-initio calculation of isotope enrichments and predictions of condensation parameters for laser-excited and non-excited vapors which are in good agreement with experiment. Because of supersonic speeds, throughputs for free-jet CRISLA are a thousand times higher than cold-wall CRISLA schemes, and thus preferred for large-quantity Uranium enrichments. For small-quantity separations of (radioactive) medical isotopes, the simpler coldwall CRISLA method may be adequate.

  14. Laser accidents: Being Prepared

    SciTech Connect

    Barat, K

    2003-01-24

    The goal of the Laser Safety Officer and any laser safety program is to prevent a laser accident from occurring, in particular an injury to a person's eyes. Most laser safety courses talk about laser accidents, causes, and types of injury. The purpose of this presentation is to present a plan for safety offices and users to follow in case of accident or injury from laser radiation.

  15. Handbook of molecular lasers

    NASA Astrophysics Data System (ADS)

    Cheo, Peter K.

    The technology and applications of molecular lasers (MLs) are examined in chapters contributed by leading experts. Topics addressed include ML emission spectra, CO2 TEA lasers, RF-discharge-excited CO2 lasers, high-energy short-pulse CO2 lasers, high-power electron-beam-controlled CO2 lasers, HF/DF chemical lasers, optically pumped FIR MLs, and transients and instabilities in FIR MLs. Extensive diagrams, drawings, graphs, photographs, and tables of numerical data are provided.

  16. RQ-4A/B Global Hawk Unmanned Aircraft System (RQ-4A/B Global Hawk)

    DTIC Science & Technology

    2013-12-01

    additional spares and Peculiar Support Equipment ( PSE ). Cost and Schedule Variance Explanations Cost and Schedule Variance reporting is not required...on this FFP contract. Contract Comments This contract procures PSE (339 items) and Enhanced Integrated Sensor Suite and Airborne Signals Intelligence... PSE and spares. RQ-4A/B Global Hawk December 2013 SAR April 16, 2014 17:20:13 UNCLASSIFIED 43 Appropriation: RDT&E Contract Name IDIQTO1

  17. Geometry of AN Isolated Dimer of Imidazole Characterised by Rotational Spectroscopy and AB Initio Calculations

    NASA Astrophysics Data System (ADS)

    Mullaney, John C.; Zaleski, Daniel P.; Tew, David Peter; Walker, Nick; Legon, Anthony

    2016-06-01

    An isolated, gas-phase dimer of imidazole is generated through laser vaporisation of a solid rod containing a 1:1 mixture of imidazole and copper in the presence of an argon buffer gas undergoing supersonic expansion. The complex is characterised through broadband rotational spectroscopy and is shown to have a twisted, hydrogen-bonded geometry. Calculations at the CCSD(T)(F12*)/cc-pVDZ-F12 level of theory confirm this to be the lowest-energy conformer of the imidazole dimer. The distance between the respective centres of mass of the imidazole monomer subunits is determined to be 5.2751(1) Å, and the twist angle γ describing rotation of one monomer with respect to the other about a line connecting the centres of mass of the monomers is determined to be 87.9(4)o. Four out of six intermolecular parameters in the model geometry are precisely determined from the experimental rotational constants and are consistent with results calculated ab initio.

  18. New laser protective eyewear

    NASA Astrophysics Data System (ADS)

    McLear, Mark

    1996-04-01

    Laser technology has significantly impacted our everyday life. Lasers are now used to correct your vision, clear your arteries, and are used in the manufacturing of such diverse products as automobiles, cigarettes, and computers. Lasers are no longer a research tool looking for an application. They are now an integral part of manufacturing. In the case of Class IV lasers, this explosion in laser applications has exposed thousands of individuals to potential safety hazards including eye damage. Specific protective eyewear designed to attenuate the energy of the laser beam below the maximum permissible exposure is required for Class 3B and Class IV lasers according to laser safety standards.

  19. Laser satellite power systems

    SciTech Connect

    Walbridge, E.W.

    1980-01-01

    A laser satellite power system (SPS) converts solar power captured by earth-orbiting satellites into electrical power on the earth's surface, the satellite-to-ground transmission of power being effected by laser beam. The laser SPS may be an alternative to the microwave SPS. Microwaves easily penetrate clouds while laser radiation does not. Although there is this major disadvantage to a laser SPS, that system has four important advantages over the microwave alternative: (1) land requirements are much less, (2) radiation levels are low outside the laser ground stations, (3) laser beam sidelobes are not expected to interfere with electromagnetic systems, and (4) the laser system lends itself to small-scale demonstration. After describing lasers and how they work, the report discusses the five lasers that are candidates for application in a laser SPS: electric discharge lasers, direct and indirect solar pumped lasers, free electron lasers, and closed-cycle chemical lasers. The Lockheed laser SPS is examined in some detail. To determine whether a laser SPS will be worthy of future deployment, its capabilities need to be better understood and its attractiveness relative to other electric power options better assessed. First priority should be given to potential program stoppers, e.g., beam attenuation by clouds. If investigation shows these potential program stoppers to be resolvable, further research should investigate lasers that are particularly promising for SPS application.

  20. [Laser physics].

    PubMed

    Banús Gassol, J M

    2008-11-01

    The commission of this article plunged me into doubt. First I should confess that I don't find excuse to escape this part if somebody wants to minimally deepen in the knowledge of the biological effects of this energy source. Secondly, when we talk about results, we use terms made and defined by Physics. Often we have polemics about results, and what really happens is that we don't reach agreements because we refer to different terms to explain the same observation; in conclusion we cannot understand each other because we do not know the adequate terms; for example, hypoxemia as oxygen deficit, which is true in an anemic patient as well as in a low oxygen saturation rate. In consequence, a good review of these concepts seems necessary to me. The third reason is the confusion that exists in our environment, I think sometimes of interest, about properties and effects of different types of laser. Only a minimal knowledge of physics will help us to state the scientific basis for understanding. The problems, nevertheless, accumulate due to the fact that the universe to which this article is directed is formed by urologists. What Physics education should we suppose they have? Superficial? Medium? Is it a collective with a uniform knowledge, being it whatever it is? The implication is clear. The article depth will depend on the answers to these questions. Nevertheless, the aim of the authors is to give a base enough to know what the laser is and how it acts. For that, the answer I gave to my questions is that the reader should understand the article and have enough base for, at least, reading critically the articles about laser published in urological journals.

  1. Connecting the Particles in the Box - Controlled Fusion of Hexamer Nanocrystal Clusters within an AB6 Binary Nanocrystal Superlattice

    NASA Astrophysics Data System (ADS)

    Treml, Benjamin E.; Lukose, Binit; Clancy, Paulette; Smilgies, Detlef-M.; Hanrath, Tobias

    2014-10-01

    Binary nanocrystal superlattices present unique opportunities to create novel interconnected nanostructures by partial fusion of specific components of the superlattice. Here, we demonstrate the binary AB6 superlattice of PbSe and Fe2O3 nanocrystals as a model system to transform the central hexamer of PbSe nanocrystals into a single fused particle. We present detailed structural analysis of the superlattices by combining high-resolution X-ray scattering and electron microscopy. Molecular dynamics simulations show optimum separation of nanocrystals in agreement with the experiment and provide insights into the molecular configuration of surface ligands. We describe the concept of nanocrystal superlattices as a versatile `nanoreactor' to create and study novel materials based on precisely defined size, composition and structure of nanocrystals into a mesostructured cluster. We demonstrate `controlled fusion' of nanocrystals in the clusters in reactions initiated by thermal treatment and pulsed laser annealing.

  2. Connecting the Particles in the Box - Controlled Fusion of Hexamer Nanocrystal Clusters within an AB6 Binary Nanocrystal Superlattice

    PubMed Central

    Treml, Benjamin E.; Lukose, Binit; Clancy, Paulette; Smilgies, Detlef-M; Hanrath, Tobias

    2014-01-01

    Binary nanocrystal superlattices present unique opportunities to create novel interconnected nanostructures by partial fusion of specific components of the superlattice. Here, we demonstrate the binary AB6 superlattice of PbSe and Fe2O3 nanocrystals as a model system to transform the central hexamer of PbSe nanocrystals into a single fused particle. We present detailed structural analysis of the superlattices by combining high-resolution X-ray scattering and electron microscopy. Molecular dynamics simulations show optimum separation of nanocrystals in agreement with the experiment and provide insights into the molecular configuration of surface ligands. We describe the concept of nanocrystal superlattices as a versatile ‘nanoreactor' to create and study novel materials based on precisely defined size, composition and structure of nanocrystals into a mesostructured cluster. We demonstrate ‘controlled fusion' of nanocrystals in the clusters in reactions initiated by thermal treatment and pulsed laser annealing. PMID:25339169

  3. Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

    SciTech Connect

    Xiao, Haiyan Y.; Weber, William J.; Zhang, Yanwen; Zu, X. T.; Li, Sean

    2015-02-09

    In this study, the response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method. All the titanate pyrochlores are found to undergo a crystalline-to-amorphous structural transition under a low concentration of electronic excitations. The transition temperature at which structural amorphization starts to occur depends on the concentration of electronic excitations. During the structural transition, O2-like molecules are formed, and this anion disorder further drives cation disorder that leads to an amorphous state. This study provides new insights into the mechanisms of amorphization in titanate pyrochlores under laser, electron and ion irradiations.

  4. Acute and residual effects in adolescent rats resulting from exposure to the novel synthetic cannabinoids AB-PINACA and AB-FUBINACA.

    PubMed

    Kevin, Richard C; Wood, Katie E; Stuart, Jordyn; Mitchell, Andrew J; Moir, Michael; Banister, Samuel D; Kassiou, Michael; McGregor, Iain S

    2017-01-01

    Synthetic cannabinoids (SCs) have rapidly proliferated as recreational drugs, and may present a substantial health risk to vulnerable populations. However, information on possible effects of long-term use is sparse. This study compared acute and residual effects of the popular indazole carboxamide SC compounds AB-PINACA and AB-FUBINACA in adolescent rats with ∆(9)-tetrahydrocannabinol (THC) and control treatments. Albino Wistar rats were injected (i.p.) with AB-PINACA or AB-FUBINACA every second day (beginning post-natal day (PND) 31), first at a low dose (0.2 mg/kg on 6 days) followed by a higher dose (1 mg/kg on a further 6 days). THC-treated rats received equivalent doses of 6 × 1 mg/kg and 6 × 5 mg/kg. During drug treatment, THC, AB-PINACA, and AB-FUBINACA decreased locomotor activity at high and low doses, increased anxiety-like behaviours and audible vocalisations, and reduced weight gain. Two weeks after dosing was completed, all cannabinoid pre-treated rats exhibited object recognition memory deficits. These were notably more severe in rats pre-treated with AB-FUBINACA. However, social interaction was reduced in the THC pre-treated group only. Six weeks post-dosing, plasma levels of cytokines interleukin (IL)-1α and IL-12 were reduced by AB-FUBINACA pre-treatment, while cerebellar endocannabinoids were reduced by THC and AB-PINACA pre-treatment. The acute effects of AB-PINACA and AB-FUBINACA were broadly similar to those of THC, suggesting that acute SC toxicity in humans may be modulated by dose factors, including inadvertent overdose and product contamination. However, some lasting residual effects of these different cannabinoid receptor agonists were subtly different, hinting at recruitment of different mechanisms of neuroadaptation.

  5. A new approach to quantification of mAb aggregates using peptide affinity probes

    PubMed Central

    Cheung, Crystal S. F.; Anderson, Kyle W.; Patel, Pooja M.; Cade, Keale L.; Phinney, Karen W.; Turko, Illarion V.

    2017-01-01

    Using mAbs as therapeutic molecules is complicated by the propensity of mAbs to aggregate at elevated concentrations, which can lead to a variety of adverse events in treatment. Here, we describe a proof-of-concept for new methodology to detect and quantify mAb aggregation. Assay development included using an aggregated mAb as bait for screening of phage display peptide library and identifying those peptides with random sequence which can recognize mAb aggregates. Once identified, the selected peptides can be used for developing quantitative methods to assess mAb aggregation. Results indicate that a peptide binding method coupled with mass spectrometric detection of bound peptide can quantify mAb aggregation and potentially be useful for monitoring aggregation propensity of therapeutic protein candidates. PMID:28186164

  6. A new approach to quantification of mAb aggregates using peptide affinity probes.

    PubMed

    Cheung, Crystal S F; Anderson, Kyle W; Patel, Pooja M; Cade, Keale L; Phinney, Karen W; Turko, Illarion V

    2017-02-10

    Using mAbs as therapeutic molecules is complicated by the propensity of mAbs to aggregate at elevated concentrations, which can lead to a variety of adverse events in treatment. Here, we describe a proof-of-concept for new methodology to detect and quantify mAb aggregation. Assay development included using an aggregated mAb as bait for screening of phage display peptide library and identifying those peptides with random sequence which can recognize mAb aggregates. Once identified, the selected peptides can be used for developing quantitative methods to assess mAb aggregation. Results indicate that a peptide binding method coupled with mass spectrometric detection of bound peptide can quantify mAb aggregation and potentially be useful for monitoring aggregation propensity of therapeutic protein candidates.

  7. Near-infrared spectra and rovibrational dynamics on a four-dimensional ab initio potential energy surface of (HBr)2.

    PubMed

    Castillo-Chará, J; McIntosh, A L; Wang, Z; Lucchese, R R; Bevan, J W

    2004-06-08

    Supersonic jet investigations of the (HBr)(2) dimer have been carried out using a tunable diode laser spectrometer to provide accurate data for comparison with results from a four-dimensional (4-D) ab initio potential energy surface (PES). The near-infrared nu(1) (+/-), nu(2) (+/-), and (nu(1)+nu(4))(-) bands of (H (79)Br)(2), (H (79)Br-H (81)Br), and (H (81)Br)(2) isotopomers have been recorded in the range 2500-2600 cm(-1) using a CW slit jet expansion with an upgraded near-infrared diode laser spectrometer. The 4-D PES has been calculated for (HBr)(2) using second-order Møller-Plesset perturbation theory with an augmented and polarized 6-311G basis set. The potential is characterized by a global minimum occurring at the H bond structure with the distance between the center of masses (CM) of the monomer being R(CM)=4.10 A with angles theta(A)=10 degrees, theta(B)=100 degrees and a well depth of 692.2 cm(-1), theta(A) is the angle the HBr bond of monomer A makes with the vector from the CM of A to the CM of B, and theta(B) is the corresponding angle monomer B makes with the same CM-CM vector. The barrier for the H interchange occurs at the closed C(2h) structure for which R(CM)=4.07 A, theta(A)=45 degrees, theta(B)=135 degrees, and the barrier height is 73.9 cm(-1). The PES was fitted using a linear-least squares method and the rovibrational energy levels of the complex were calculated by a split pseudospectral method. The spectroscopic data provide accurate molecular parameters for the dimer that are then compared with the results predicted on the basis of the 4-D ab initio PES.

  8. The Geoscience Laser Altimeter System Laser Transmitter

    NASA Technical Reports Server (NTRS)

    Afzal, R. S.; Dallas, J. L.; Yu, A. W.; Mamakos, W. A.; Lukemire, A.; Schroeder, B.; Malak, A.

    2000-01-01

    The Geoscience Laser Altimeter System (GLAS), scheduled to launch in 2001, is a laser altimeter and lidar for tile Earth Observing System's (EOS) ICESat mission. The laser transmitter requirements, design and qualification test results for this space- based remote sensing instrument are presented.

  9. Studies on lasers and laser devices

    NASA Technical Reports Server (NTRS)

    Harris, S. E.; Siegman, A. E.; Young, J. F.

    1983-01-01

    The goal of this grant was to study lasers, laser devices, and uses of lasers for investigating physical phenomena are studied. The active projects included the development of a tunable, narrowband XUV light source and its application to the spectroscopy of core excited atomic states, and the development of a technique for picosecond time resolution spectroscopy of fast photophysical processes.

  10. Non Target Effect of Cry1 Ab and Cry Ab x Cry3 Bb1 Bt Transgenic Maize on Orius Insidiosus (Hemiptera: Anthocoridae) Abundance

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Non-target effects of Cry1Ab x CP4 EPSPS and Cry1Ab + Cry3Bb1 x CP4 EPSPS Bt transgenic new maize hybrids on insidious flower bugs [Orius insidiosus (Say)] was studied in Nebraska (Mead, C lay Center, and Concord) during 2007 and 2008. The Bt effect was compared to CP4 EPSPS maize (isoline), convent...

  11. Functional analysis of Vibrio vulnificus RND efflux pumps homologous to Vibrio cholerae VexAB and VexCD, and to Escherichia coli AcrAB.

    PubMed

    Lee, Seunghwa; Yeom, Ji-Hyun; Seo, Sojin; Lee, Minho; Kim, Sarang; Bae, Jeehyeon; Lee, Kangseok; Hwang, Jihwan

    2015-04-01

    Resistance-nodulation-division (RND) efflux pumps are associated with multidrug resistance in many gram-negative pathogens. The genome of Vibrio vulnificus encodes 11 putative RND pumps homologous to those of Vibrio cholerae and Escherichia coli. In this study, we analyzed three putative RND efflux pumps, showing homology to V. cholerae VexAB and VexCD and to E. coli AcrAB, for their functional roles in multidrug resistance of V. vulnificus. Deletion of the vexAB homolog resulted in increased susceptibility of V. vulnificus to bile acid, acriflavine, ethidium bromide, and erythromycin, whereas deletion of acrAB homologs rendered V. vulnificus more susceptible to acriflavine only. Deletion of vexCD had no effect on susceptibility of V. vulnificus to these chemicals. Upon exposure to these antibacterial chemicals, expression of tolCV1 and tolCV2, which are putative outer membrane factors of RND efflux pumps, was induced, whereas expression levels of vexAB, vexCD, and acrAB homologs were not significantly changed. Our results show that the V. vulnificus homologs of VexAB largely contributed to in vitro antimicrobial resistance with a broad substrate specificity that was partially redundant with the AcrAB pump homologs.

  12. Nucleotide excision repair pathway assessment in DNA exposed to low-intensity red and infrared lasers.

    PubMed

    Fonseca, A S; Campos, V M A; Magalhães, L A G; Paoli, F

    2015-10-01

    Low-intensity lasers are used for prevention and management of oral mucositis induced by anticancer therapy, but the effectiveness of treatment depends on the genetic characteristics of affected cells. This study evaluated the survival and induction of filamentation of Escherichia coli cells deficient in the nucleotide excision repair pathway, and the action of T4endonuclease V on plasmid DNA exposed to low-intensity red and near-infrared laser light. Cultures of wild-type (strain AB1157) E. coli and strain AB1886 (deficient in uvrA protein) were exposed to red (660 nm) and infrared (808 nm) lasers at various fluences, powers and emission modes to study bacterial survival and filamentation. Also, plasmid DNA was exposed to laser light to study DNA lesions produced in vitro by T4endonuclease V. Low-intensity lasers:i) had no effect on survival of wild-type E. coli but decreased the survival of uvrA protein-deficient cells,ii) induced bacterial filamentation, iii) did not alter the electrophoretic profile of plasmids in agarose gels, andiv) did not alter the electrophoretic profile of plasmids incubated with T4 endonuclease V. These results increase our understanding of the effects of laser light on cells with various genetic characteristics, such as xeroderma pigmentosum cells deficient in nucleotide excision pathway activity in patients with mucositis treated by low-intensity lasers.

  13. Nucleotide excision repair pathway assessment in DNA exposed to low-intensity red and infrared lasers

    PubMed Central

    Fonseca, A.S.; Campos, V.M.A.; Magalhães, L.A.G.; Paoli, F.

    2015-01-01

    Low-intensity lasers are used for prevention and management of oral mucositis induced by anticancer therapy, but the effectiveness of treatment depends on the genetic characteristics of affected cells. This study evaluated the survival and induction of filamentation of Escherichia coli cells deficient in the nucleotide excision repair pathway, and the action of T4endonuclease V on plasmid DNA exposed to low-intensity red and near-infrared laser light. Cultures of wild-type (strain AB1157) E. coli and strain AB1886 (deficient in uvrA protein) were exposed to red (660 nm) and infrared (808 nm) lasers at various fluences, powers and emission modes to study bacterial survival and filamentation. Also, plasmid DNA was exposed to laser light to study DNA lesions produced in vitro by T4endonuclease V. Low-intensity lasers:i) had no effect on survival of wild-type E. coli but decreased the survival of uvrA protein-deficient cells,ii) induced bacterial filamentation, iii) did not alter the electrophoretic profile of plasmids in agarose gels, andiv) did not alter the electrophoretic profile of plasmids incubated with T4 endonuclease V. These results increase our understanding of the effects of laser light on cells with various genetic characteristics, such as xeroderma pigmentosum cells deficient in nucleotide excision pathway activity in patients with mucositis treated by low-intensity lasers. PMID:26445337

  14. Pharmacology of Indole and Indazole Synthetic Cannabinoid Designer Drugs AB-FUBINACA, ADB-FUBINACA, AB-PINACA, ADB-PINACA, 5F-AB-PINACA, 5F-ADB-PINACA, ADBICA, and 5F-ADBICA.

    PubMed

    Banister, Samuel D; Moir, Michael; Stuart, Jordyn; Kevin, Richard C; Wood, Katie E; Longworth, Mitchell; Wilkinson, Shane M; Beinat, Corinne; Buchanan, Alexandra S; Glass, Michelle; Connor, Mark; McGregor, Iain S; Kassiou, Michael

    2015-09-16

    Synthetic cannabinoid (SC) designer drugs based on indole and indazole scaffolds and featuring l-valinamide or l-tert-leucinamide side chains are encountered with increasing frequency by forensic researchers and law enforcement agencies and are associated with serious adverse health effects. However, many of these novel SCs are unprecedented in the scientific literature at the time of their discovery, and little is known of their pharmacology. Here, we report the synthesis and pharmacological characterization of AB-FUBINACA, ADB-FUBINACA, AB-PINACA, ADB-PINACA, 5F-AB-PINACA, 5F-ADB-PINACA, ADBICA, 5F-ADBICA, and several analogues. All synthesized SCs acted as high potency agonists of CB1 (EC50 = 0.24-21 nM) and CB2 (EC50 = 0.88-15 nM) receptors in a fluorometric assay of membrane potential, with 5F-ADB-PINACA showing the greatest potency at CB1 receptors. The cannabimimetic activities of AB-FUBINACA and AB-PINACA in vivo were evaluated in rats using biotelemetry. AB-FUBINACA and AB-PINACA dose-dependently induced hypothermia and bradycardia at doses of 0.3-3 mg/kg, and hypothermia was reversed by pretreatment with a CB1 (but not CB2) antagonist, indicating that these SCs are cannabimimetic in vivo, consistent with anecdotal reports of psychoactivity in humans.

  15. GQ Lup Ab Visible & Near-Infrared Photometric Analysis

    SciTech Connect

    Marois, C; Macintosh, B; Barman, T

    2006-08-07

    We have re-analyzed archival HST R and I band images and Subaru CH{sub 4}, H, Ks and L{prime} data of the recently discovered planetary mass companion (PMC) GQ Lup Ab. With these we produce the first R and I band photometry of the companion and fit a radius and effective temperature using detailed model atmospheres. We find an effective temperature of 2338 {+-} 100K, and a radius of 0.37 {+-} 0.05R{sub {circle_dot}} and luminosity of log(L/L{sub {circle_dot}}) = -2.43 {+-} 0.07 (at 140pc). Since we fit wavelengths that span most of the emitted radiation from GQ Lup this luminosity estimate is robust, with uncertainty dominated by the distance uncertainty. The radius obtained for 140pc (0.37R{sub {circle_dot}}) is significantly larger than the one originally derived. The mass of the object is much more model-dependent than the radiative properties, but for the GAIA dusty models we find a mass between 9-20 M{sub Jup}, in the range of the brown dwarf and PMC deuterium burning boundary. Assuming a distance of 140pc, observations fit to 1{sigma} the Baraffe evolution model for a {approx} 15 M{sub Jup} brown dwarf. Additionally, the F606W photometric band is significantly overluminous compared to model predictions. Such overluminosity could be explained by a bright H{alpha} emission from chromospheric activity, interaction with another undetected companion, or accretion. Assuming that GQ Lup Ab has a bright H{alpha} emission line, its H{alpha} emission strength is 10{sup -1.71 {+-} 0.10} L{sub bol}, significantly larger than field late-type dwarfs. GQ Lup Ab might be strongly accreting and still be in its formation phase.

  16. Ab initio molecular simulations with numeric atom-centered orbitals

    NASA Astrophysics Data System (ADS)

    Blum, Volker; Gehrke, Ralf; Hanke, Felix; Havu, Paula; Havu, Ville; Ren, Xinguo; Reuter, Karsten; Scheffler, Matthias

    2009-11-01

    We describe a complete set of algorithms for ab initio molecular simulations based on numerically tabulated atom-centered orbitals (NAOs) to capture a wide range of molecular and materials properties from quantum-mechanical first principles. The full algorithmic framework described here is embodied in the Fritz Haber Institute "ab initio molecular simulations" (FHI-aims) computer program package. Its comprehensive description should be relevant to any other first-principles implementation based on NAOs. The focus here is on density-functional theory (DFT) in the local and semilocal (generalized gradient) approximations, but an extension to hybrid functionals, Hartree-Fock theory, and MP2/GW electron self-energies for total energies and excited states is possible within the same underlying algorithms. An all-electron/full-potential treatment that is both computationally efficient and accurate is achieved for periodic and cluster geometries on equal footing, including relaxation and ab initio molecular dynamics. We demonstrate the construction of transferable, hierarchical basis sets, allowing the calculation to range from qualitative tight-binding like accuracy to meV-level total energy convergence with the basis set. Since all basis functions are strictly localized, the otherwise computationally dominant grid-based operations scale as O(N) with system size N. Together with a scalar-relativistic treatment, the basis sets provide access to all elements from light to heavy. Both low-communication parallelization of all real-space grid based algorithms and a ScaLapack-based, customized handling of the linear algebra for all matrix operations are possible, guaranteeing efficient scaling (CPU time and memory) up to massively parallel computer systems with thousands of CPUs.

  17. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Katori, H.; Yoneda, H.; Nakagawa, K.; Shimizu, F.

    2010-02-01

    .] -- Ultracold Ytterbium atoms in optical lattices / S. Sugawa ... [et al.] -- Ultracold polar molecules in the rovibrational ground state / J. Deiglmayr ... [et al.] -- Polar molecules near quantum degeneracy / J. Ye and D. S. Jin -- Production of a quantum gas of rovibronic ground-state molecules in an optical lattice / J. G. Danzl ... [et al.] -- Recent progress in x-ray nonlinear optics / K. Tamasaku, K. Sawada, and T. Ishikawa -- Gas in scattering media absorption spectroscopy - laser spectroscopy in unconventional environments / S. Svanberg -- Laser spectroscopy on relativistic ion beams / S. Reinhardt ... [et al.] -- Single frequency microcavity lasers and applications / L. Xu ... [et al.].

  18. AB 1007 Full Fuel Cycle Analysis (FFCA) Peer Review

    SciTech Connect

    Rice, D; Armstrong, D; Campbell, C; Lamont, A; Gallegos, G; Stewart, J; Upadhye, R

    2007-01-19

    LLNL is a participant of California's Advanced Energy Pathways (AEP) team funded by DOE (NETL). At the AEP technical review meeting on November 9, 2006. The AB 1007 FFCA team (Appendix A) requested LLNL participate in a peer review of the FFCA reports. The primary contact at the CEC was McKinley Addy. The following reports/presentations were received by LLNL: (1) Full Fuel Cycle Energy and Emissions Assumptions dated September 2006, TIAX; (2) Full Fuel cycle Assessment-Well to Tank Energy Inputs, Emissions, and Water Impacts dated December 2006, TIAX; and (3) Full Fuel Cycle Analysis Assessment dated October 12, 2006, TIAX.

  19. Ab initio Study of He Stability in hcp-Ti

    SciTech Connect

    Dai, Yunya; Yang, Li; Peng, SM; Long, XG; Gao, Fei; Zu, Xiaotao T.

    2010-12-20

    The stability of He in hcp-Ti was studied using ab initio method based on density functional theory. The results indicate that a single He atom prefers to occupy the tetrahedral site rather than the octahedral site. The interaction of He defects with Ti atoms has been used to explain the relative stabilities of He point defects in hcp-Ti. The relative stability of He defects in hcp-Ti is useful for He clustering and bubble nucleation in metal tritides, which provides the basis for development of improved atomistic models.

  20. Ab Initio Study of Phase Equilibria in TiCx

    NASA Astrophysics Data System (ADS)

    Korzhavyi, P. A.; Pourovskii, L. V.; Hugosson, H. W.; Ruban, A. V.; Johansson, B.

    2002-01-01

    The phase diagram for the vacancy-ordered structures in the substoichiometric TiCx ( x = 0.5-1.0) has been established from Monte Carlo simulations with the long-range pair and multisite effective interactions obtained from ab initio calculations. Three ordered superstructures of vacancies ( Ti2C, Ti3C2, and Ti6C5) are found to be ground state configurations. Their stability has been verified by full-potential total energy calculations of the fully relaxed structures.

  1. Pseudorotation motion in tetrahydrofuran: an ab initio study.

    PubMed

    Rayón, Víctor M; Sordo, Jose A

    2005-05-22

    The use of different models based on experimental information about the observed level splitings, rotational constants, and far-infrared transition frequencies leads to different predictions on the equilibrium geometry for tetrahydrofuran. High-level ab initio calculations [coupled cluster singles, doubles (triples)/complete basis set (second order Moller-Plesset triple, quadrupole, quintuple)+zero-point energy(anharmonic)] suggest that the equilibrium conformation of tetrahydrofuran is an envelope C(s) structure. The theoretical geometrical parameters might be helpful to plan further microwave spectroscopic studies in order to get a physical interpretation of the measurements.

  2. Accelerating ab initio molecular dynamics simulations by linear prediction methods

    NASA Astrophysics Data System (ADS)

    Herr, Jonathan D.; Steele, Ryan P.

    2016-09-01

    Acceleration of ab initio molecular dynamics (AIMD) simulations can be reliably achieved by extrapolation of electronic data from previous timesteps. Existing techniques utilize polynomial least-squares regression to fit previous steps' Fock or density matrix elements. In this work, the recursive Burg 'linear prediction' technique is shown to be a viable alternative to polynomial regression, and the extrapolation-predicted Fock matrix elements were three orders of magnitude closer to converged elements. Accelerations of 1.8-3.4× were observed in test systems, and in all cases, linear prediction outperformed polynomial extrapolation. Importantly, these accelerations were achieved without reducing the MD integration timestep.

  3. Morphing ab initio potential energy curve of beryllium monohydride

    NASA Astrophysics Data System (ADS)

    Špirko, Vladimír

    2016-12-01

    Effective (mass-dependent) potential energy curves of the ground electronic states of 9BeH, 9BeD, and 9BeT are constructed by morphing a very accurate MR-ACPF ab initio potential of Koput (2011) within the framework of the reduced potential energy curve approach of Jenč (1983). The morphing is performed by fitting the RPC parameters to available experimental ro-vibrational data. The resulting potential energy curves provide a fairly quantitative reproduction of the fitted data. This allows for a reliable prediction of the so-far unobserved molecular states in terms of only a small number of fitting parameters.

  4. Communication: Ab initio Joule-Thomson inversion data for argon

    NASA Astrophysics Data System (ADS)

    Wiebke, Jonas; Senn, Florian; Pahl, Elke; Schwerdtfeger, Peter

    2013-02-01

    The Joule-Thomson coefficient μH(P, T) is computed from the virial equation of state up to seventh-order for argon obtained from accurate ab initio data. Higher-order corrections become increasingly more important to fit the low-temperature and low-pressure regime and to avoid the early onset of divergence in the Joule-Thomson inversion curve. Good agreement with experiment is obtained for temperatures T > 250 K. The results also illustrate the limitations of the virial equation in regions close to the critical temperature.

  5. Ab initio quantum chemical study of electron transfer in carboranes

    NASA Astrophysics Data System (ADS)

    Pati, Ranjit; Pineda, Andrew C.; Pandey, Ravindra; Karna, Shashi P.

    2005-05-01

    The electron transfer (ET) properties of 10- and 12-vertex carboranes are investigated by the ab initio Hartree-Fock method within the Marcus-Hush (MH) two-state model and the Koopman theorem (KT) approach. The calculated value of the ET coupling matrix element, VAB, is consistently higher in the KT approach than in the MH two-state model. For the carborane molecules functionalized by -CH 2 groups at C-vertices, VAB strongly depends on the relative orientation of the planes containing the terminal -CH 2 groups. The predicted conformation dependence of VAB offers a molecular mechanism to control ET between two active centers in molecular systems.

  6. Ab-Initio Shell Model with a Core

    SciTech Connect

    Lisetskiy, A F; Barrett, B R; Kruse, M; Navratil, P; Stetcu, I; Vary, J P

    2008-06-04

    We construct effective 2- and 3-body Hamiltonians for the p-shell by performing 12{h_bar}{Omega} ab initio no-core shell model (NCSM) calculations for A=6 and 7 nuclei and explicitly projecting the many-body Hamiltonians onto the 0{h_bar}{Omega} space. We then separate these effective Hamiltonians into 0-, 1- and 2-body contributions (also 3-body for A=7) and analyze the systematic behavior of these different parts as a function of the mass number A and size of the NCSM basis space. The role of effective 3- and higher-body interactions for A > 6 is investigated and discussed.

  7. Ab-initio study of transition metal hydrides

    SciTech Connect

    Sharma, Ramesh; Shukla, Seema Dwivedi, Shalini Sharma, Yamini

    2014-04-24

    We have performed ab initio self consistent calculations based on Full potential linearized augmented plane wave (FP-LAPW) method to investigate the optical and thermal properties of yttrium hydrides. From the band structure and density of states, the optical absorption spectra and specific heats have been calculated. The band structure of Yttrium metal changes dramatically due to hybridization of Y sp orbitals with H s orbitals and there is a net charge transfer from metal to hydrogen site. The electrical resistivity and specific heats of yttrium hydrides are lowered but the thermal conductivity is slightly enhanced due to increase in scattering from hydrogen sites.

  8. Ab Initio Calculations Applied to Problems in Metal Ion Chemistry

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry; Arnold, James O. (Technical Monitor)

    1994-01-01

    Electronic structure calculations can provide accurate spectroscopic data (such as molecular structures) vibrational frequencies, binding energies, etc.) that have been very useful in explaining trends in experimental data and in identifying incorrect experimental measurements. In addition, ab initio calculations. have given considerable insight into the many interactions that make the chemistry of transition metal systems so diverse. In this review we focus on cases where calculations and experiment have been used to solve interesting chemical problems involving metal ions. The examples include cases where theory was used to differentiate between disparate experimental values and cases where theory was used to explain unexpected experimental results.

  9. Electric field response in bilayer graphene: Ab initio investigation

    NASA Astrophysics Data System (ADS)

    Mori, Yutaro; Minamitani, Emi; Ando, Yasunobu; Kasamatsu, Shusuke; Watanabe, Satoshi

    2016-11-01

    Stimulated by quantum capacitance measurements, we have investigated the electric properties of bilayer graphene (BLG) with carrier doping under an external electric field using ab initio calculations. We found that the relative permittivity of BLG depends weakly on the applied electric field, and that the BLG can be regarded as a dielectric material rather than a pair of metallic films. We also found that carrier doping affects the band gap of BLG under electric fields, although carrier doping has a much smaller effect on the band gap and density of states than the application of electric fields.

  10. Communication: Ab initio Joule-Thomson inversion data for argon.

    PubMed

    Wiebke, Jonas; Senn, Florian; Pahl, Elke; Schwerdtfeger, Peter

    2013-02-21

    The Joule-Thomson coefficient μ(H)(P, T) is computed from the virial equation of state up to seventh-order for argon obtained from accurate ab initio data. Higher-order corrections become increasingly more important to fit the low-temperature and low-pressure regime and to avoid the early onset of divergence in the Joule-Thomson inversion curve. Good agreement with experiment is obtained for temperatures T > 250 K. The results also illustrate the limitations of the virial equation in regions close to the critical temperature.

  11. Reverse laser drilling

    NASA Technical Reports Server (NTRS)

    Anthony, Thomas R. (Inventor)

    1984-01-01

    This invention provides a method for laser drilling small diameter, closely-spaced, and accurately located holes in a body of material which is transparent or substantially transparent to the laser radiation employed whereby the holes are drilled through the thickness of the body from the surface opposite to that on which the laser beam impinges to the surface of laser beam impingement.

  12. Laser photobiology and photomedicine

    SciTech Connect

    Martellucci, S.; Chester, A.N.

    1985-01-01

    This book presents information on the following topics: the physical and biological basis of photobiology and photomedicine; the biological effects and applications of laser technology; photochemotherapy; photobiology and dermatology; surgical and ophthalmological applications of lasers; laser safety; and diagnostics and technological aspects of recent laser developments.

  13. Narrow gap laser welding

    DOEpatents

    Milewski, J.O.; Sklar, E.

    1998-06-02

    A laser welding process including: (a) using optical ray tracing to make a model of a laser beam and the geometry of a joint to be welded; (b) adjusting variables in the model to choose variables for use in making a laser weld; and (c) laser welding the joint to be welded using the chosen variables. 34 figs.

  14. Narrow gap laser welding

    DOEpatents

    Milewski, John O.; Sklar, Edward

    1998-01-01

    A laser welding process including: (a) using optical ray tracing to make a model of a laser beam and the geometry of a joint to be welded; (b) adjusting variables in the model to choose variables for use in making a laser weld; and (c) laser welding the joint to be welded using the chosen variables.

  15. Obstacles to Laser Safety

    SciTech Connect

    Barat, K

    2005-04-25

    The growth of laser development & technology has been remarkable. Unfortunately, a number of traps or obstacles to laser safety have also developed with that growth. The goal of this article is to highlight those traps, in the hope that an aware laser user will avoid them. These traps have been the cause or contributing factor of many a preventable laser accident.

  16. Short wavelength laser

    DOEpatents

    Hagelstein, P.L.

    1984-06-25

    A short wavelength laser is provided that is driven by conventional-laser pulses. A multiplicity of panels, mounted on substrates, are supported in two separated and alternately staggered facing and parallel arrays disposed along an approximately linear path. When the panels are illuminated by the conventional-laser pulses, single pass EUV or soft x-ray laser pulses are produced.

  17. Longitudinal discharge laser baffles

    DOEpatents

    Warner, B.E.; Ault, E.R.

    1994-06-07

    The IR baffles placed between the window and the electrode of a longitudinal discharge laser improve laser performance by intercepting off-axis IR radiation from the laser and in doing so reduce window heating and subsequent optical distortion of the laser beam. 1 fig.

  18. Longitudinal discharge laser baffles

    DOEpatents

    Warner, Bruce E.; Ault, Earl R.

    1994-01-01

    The IR baffles placed between the window and the electrode of a longitudinal discharge laser improve laser performance by intercepting off-axis IR radiation from the laser and in doing so reduce window heating and subsequent optical distortion of the laser beam.

  19. Unified ab initio treatment of attosecond photoionization and Compton scattering

    NASA Astrophysics Data System (ADS)

    Yudin, G. L.; Bondar, D. I.; Patchkovskii, S.; Corkum, P. B.; Bandrauk, A. D.

    2009-10-01

    We present a new theoretical approach to attosecond laser-assisted photo- and Compton ionization. Attosecond x-ray absorption and scattering are described by \\hat{\\mathscr{S}}^{(1,2)} -matrices, which are coherent superpositions of 'monochromatic' \\skew{3}\\hat{S}^{(1,2)} -matrices in a laser-modified Furry representation. Besides refining the existing theory of the soft x-ray photoelectron attosecond streak camera and spectral phase interferometry (ASC and ASPI), we formulate a theory of hard x-ray photoelectron and Compton ASC and ASPI. The resulting scheme has a simple structure and leads to closed-form expressions for ionization amplitudes. We investigate Compton electron interference in the separable Coulomb-Volkov continuum with both Coulomb and laser fields treated non-perturbatively. We find that at laser-field intensities below 1013 Wcm-2 normalized Compton lines almost coincide with the lines obtained in the laser-free regime. At higher intensities, attosecond interferences survive integration over electron momenta, and feature prominently in the Compton lines themselves. We define a regime where the electron ground-state density can be measured with controllable accuracy in an attosecond time interval. The new theory provides a firm basis for extracting photo- and Compton electron phases and atomic and molecular wavefunctions from experimental data.

  20. In vitro and in vivo human metabolism of the synthetic cannabinoid AB-CHMINACA.

    PubMed

    Erratico, Claudio; Negreira, Noelia; Norouzizadeh, Helia; Covaci, Adrian; Neels, Hugo; Maudens, Kristof; van Nuijs, Alexander L N

    2015-10-01

    N-[(1S)-1-(aminocarbonyl)-2-methylpropyl]-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide (AB-CHMINACA) is a recently introduced synthetic cannabinoid. At present, no information is available about in vitro or in vivo human metabolism of AB-CHMINACA. Therefore, biomonitoring studies to screen AB-CHMINACA consumption lack any information about the potential biomarkers (e.g. metabolites) to target. To bridge this gap, we investigated the in vitro metabolism of AB-CHMINACA using human liver microsomes (HLMs). Formation of AB-CHMINACA metabolites was monitored using liquid chromatography coupled to time-of-flight mass spectrometry. Twenty-six metabolites of AB-CHMINACA were detected including seven mono-hydroxylated and six di-hydroxylated metabolites and a metabolite resulting from N-dealkylation of AB-CHMINACA, all produced by cytochrome P450 (CYP) enzymes. Two carboxylated metabolites, likely produced by amidase enzymes, and five glucuronidated metabolites were also formed. Five mono-hydroxylated and one carboxylated metabolite were likely the major metabolites detected. The involvement of individual CYPs in the formation of AB-CHMINACA metabolites was tested using a panel of seven human recombinant CYPs (rCYPs). All the hydroxylated AB-CHMINACA metabolites produced by HLMs were also produced by the rCYPs tested, among which rCYP3A4 was the most active enzyme. Most of the in vitro metabolites of AB-CHMINACA were also present in urine obtained from an AB-CHMINACA user, therefore showing the reliability of the results obtained using the in vitro metabolism experiments conducted to predict AB-CHMINACA in vivo metabolism. The AB-CHMINACA metabolites to target in biomonitoring studies using urine samples are now reliably identified and can be used for routine analysis.

  1. Solar driven lasers for power satellite applications

    NASA Technical Reports Server (NTRS)

    Taussio, R.; Cassady, P.; Klosterman, E.

    1980-01-01

    The technological feasibility of using multimagawatt lasers for space power transmission is discussed. Candidate lasers include electric discharge lasers, direct optically pumped lasers, and free electron lasers.

  2. What is a Laser?

    NASA Astrophysics Data System (ADS)

    Julien, Lucile; Schwob, Catherine

    2015-10-01

    The first laser was built more than 50 years ago, inMay 1960: it was a pulsed ruby laser. It was a simple laboratory curiosity and nobody knew what its usefulness could be. Other devices were rapidly demonstrated, and the variety and number of lasers in the world increased at a huge rate. Currently, the annual laser world market is worth about 6 billion dollars. Thanks to the remarkable properties of laser light, laser applications increase steadily in the domains of industry, building, medicine, telecommunications, etc. One can find many lasers in research laboratories, and they are used more and more in our everyday life and almost everybody has already seen a laser beam. The goal of the first chapter of this book is to explain simply what a laser is, how it is built and how it operates. Firstly, let us point out the outstanding properties of the laser light.

  3. Tunable lasers- an overview

    SciTech Connect

    Guenther, B.D.; Buser, R.G.

    1982-08-01

    This overview of tunable lasers describes their applicability to spectroscopy in the ultraviolet and middle infrared ranges; to rapid on-line diagnostics by ultrashort cavity lasers; to exploration, by the free electron laser, for its wide tuning in the far infrared to submillimeter region; to remote detection, in areas such as portable pollution monitors, on-line chemical analyzers, auto exhaust analyzers, and production line controls; to photochemistry; and to other potential areas in diagnostics, communications, and medical and biological sciences. The following lasers are characterized by their tunability: solid state lasers, primarily alexandrite, with a tuning range of ca 1000 Angstroms; color center lasers; semiconductor lasers; dye lasers; gas lasers, where high-pressure CO/sub 2/ discharges are the best known example for a wide tunability range, and research is continuing in systems such as the alkali dimers; and, at wavelengths beyond 10 micrometers, the possibilities beyond Cerenkov and free electron lasers.

  4. Lasers in flow cytometry.

    PubMed

    Telford, William G

    2011-01-01

    Laser technology has advanced tremendously since the first gas lasers were incorporated into early flow cytometers. Gas lasers have been largely replaced by solid-state laser technology, making virtually any desirable visible light wavelength available for flow cytometry. Multiwavelength, white light, and wavelength tunable lasers are poised to enhance our analytical capabilities even further. In this chapter, I summarize the role that lasers play in cytometry, and the practical characteristics that make a laser appropriate for flow cytometry. I then review the latest single wavelength lasers available for flow cytometry, and how they can be used to excite the ever-expanding array of available fluorochromes. Finally, I review the contribution and potential of the latest tunable laser technology to flow cytometry, and show several examples of these novel sources integrated into production instruments. Technical details and critical parameters for successful application of these lasers for biomedical analysis are covered in depth.

  5. Surgical lasers in dermatology

    NASA Astrophysics Data System (ADS)

    Szymanczyk, Jacek; Nowakowski, Wlodzimierz; Golebiowska, Aleksandra; Michalska, I.; Mindak, Marek K.

    1997-10-01

    Almost every laser for medical applications was first tried in dermatology. The efficiency of YAG, CO2, and Argon lasers on this area and their potential advantages over conventional methods were mostly evaluated by cosmetic effect of laser therapy. The indications for different laser treatment in such dermatological cases as: angiomas, telangiectasias, pigmented lesions, nevus flammeus congenitus, deep cavernous angiomas, skin neoplasms and condylomata acuminata are discussed in this paper and the results of the laser therapy are also presented.

  6. Laser Reliability Prediction

    DTIC Science & Technology

    1975-08-01

    Lasers, Quality Level 1 - Group 2 32 5.3-3 Kolmogorov-Smirnoff Test - Helium/Neon Lasers, Quality Level 1 33 5.3-4 Welbull Analysis...institutions through- out the United States and Canada. The collected laser data were grouped, analyzed, and statistically tested for homogeneity...sources were Initially contacted by letter questionnaires In which personnel were requested to describe any laser component life test or laser system

  7. Intracavity Raman lasers

    SciTech Connect

    Band, Y.B.; Ackerhalt, J.R.; Krasinski, J.S.; Heller, D.F.

    1989-02-01

    Experimental and theoretical studies of intracavity Raman lasers are presented. Advantages of intracavity Raman lasers, particularly for low-emission cross section and broadly tunable vibronic gain media, are described. Experimental studies of a hydrogen gas Raman laser pumped inside the cavity of an alexandrite laser are presented. A theoretical model of the dynamics of a unidirectional intracavity Raman ring laser is developed and solved analytically. This model is adapted to simulate experiments.

  8. Mercury Bromide Laser Research.

    DTIC Science & Technology

    1981-05-04

    Discharge", Optics Lett., 2(3), (March 1978). 7. R. Burnham, "Discharge Pumped Mercuric Halide Dissociation Lasers", Appl. Phys. Lett., 33: 15 (July 1978...laser and fluorescence signals. Neutral density filters served to prevent saturation of the detector during the laser measurements. F. Laser Output as a...REFERENCES . E. J. Schimitschek and J. E. Celto, " Mercuric Bromide Dissociation Laser in an Electric Discharge," Optics Lett. 2(3), March 1978. This

  9. Three-cluster dynamics within an ab initio framework

    DOE PAGES

    Quaglioni, Sofia; Romero-Redondo, Carolina; Navratil, Petr

    2013-09-26

    In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to amore » 4He+n+n description of 6He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core (4He) polarization effects.« less

  10. Binary stars in the AB Doradus moving group

    NASA Astrophysics Data System (ADS)

    Azulay, R.; Guirado, J. C.; Marcaide, J. M.; Martí-Vidal, I.; Ros, E.

    2017-03-01

    We present a study of the radio emission and kinematics of a sample of stars belonging to the AB Doradus moving group through VLBI observations. The main aim of our study is to obtain precise estimates of the dynamical mass of young, low-mass stars, which in combination with photometric measurements provide precise benchmarks for calibrating pre-main-sequence (PMS) stellar evolutionary models. Previous studies show that model predictions are in disagreement with experimental results for masses below 1.2 M_{⊙}. Among the stars included in our study, we emphasize the results obtained in two of them: AB Dor B and HD 160934, from which we have measured both the relative and absolute orbital motion. Accordingly, we obtained precise estimates of the mass of the components of these binaries (ranging from 0.25 to 0.7 M_{⊙}). Comparisons of the dynamical masses with the prediction of PMS evolutionary models show that the models underpredict the dynamical masses of the binary components by 10-40%.

  11. Rescue of failed filtering blebs with ab interno trephination.

    PubMed

    Shihadeh, Wisam A; Ritch, Robert; Liebmann, Jeffrey M

    2006-06-01

    We evaluated the effectiveness of ab interno automated trephination as a technique for rescuing failed mature filtering blebs. A retrospective chart review of 40 failed blebs of 38 patients who had a posttrephination follow-up period of at least 3 months was done. With success defined as intraocular pressure (IOP) <21 mm Hg and at least a 20% reduction from baseline on the same or fewer number of pretrephination medications, 30/40 eyes (75%) fit these criteria over the entire course of follow-up. Among all 40 eyes, there was a significant reduction of IOP from pretrephination to 3 months (P<.001). The percentage of patients requiring 2 or more medications declined from 90% pretrephination to 21% at 3 months (P<.0001), and was stable thereafter. Some patients were able to eliminate all medications. Patients who did not meet the criteria of success regained successful IOP control with other modalities of management. Complications were few. We believe that ab interno trephination is an excellent option for rescuing selected failed filtering blebs.

  12. Dynamical Evolution of planets in α Centauri AB

    NASA Astrophysics Data System (ADS)

    Quarles, Billy L.; Lissauer, Jack J.

    2015-05-01

    Circumstellar planets within α Centauri AB have been suggested through formation models (Quintana et al. 2002) and recent observations (Demusque et al. 2012). Driven by a new mission concept that will attempt to directly image Earth-sized planets, ACESat (Belikov et al. 2015), we revisit their possible existence through simulations of orbital stability that are far more comprehensive than were feasible by Wiegert and Holman (1997). We evaluate the stability boundary of Earth-like planets within α Centauri AB and elucidate some of the necessary observational constraints relative to the sky plane to directly image Earth-like planets orbiting either stellar component. We confirm the qualitative results of Wiegert and Holman regarding the approximate size of the regions of stable orbits and find that mean motion resonances with the stellar companion leave an imprint on the limits of orbital stability. Additionally, we discuss the differences in the extent of the imprint when considering both prograde and retrograde motions relative to the binary plane.

  13. Ab initio study of hot electrons in GaAs.

    PubMed

    Bernardi, Marco; Vigil-Fowler, Derek; Ong, Chin Shen; Neaton, Jeffrey B; Louie, Steven G

    2015-04-28

    Hot carrier dynamics critically impacts the performance of electronic, optoelectronic, photovoltaic, and plasmonic devices. Hot carriers lose energy over nanometer lengths and picosecond timescales and thus are challenging to study experimentally, whereas calculations of hot carrier dynamics are cumbersome and dominated by empirical approaches. In this work, we present ab initio calculations of hot electrons in gallium arsenide (GaAs) using density functional theory and many-body perturbation theory. Our computed electron-phonon relaxation times at the onset of the Γ, L, and X valleys are in excellent agreement with ultrafast optical experiments and show that the ultrafast (tens of femtoseconds) hot electron decay times observed experimentally arise from electron-phonon scattering. This result is an important advance to resolve a controversy on hot electron cooling in GaAs. We further find that, contrary to common notions, all optical and acoustic modes contribute substantially to electron-phonon scattering, with a dominant contribution from transverse acoustic modes. This work provides definitive microscopic insight into hot electrons in GaAs and enables accurate ab initio computation of hot carriers in advanced materials.

  14. Emission Spectroscopy and Ab Initio Calculations for TaN

    NASA Astrophysics Data System (ADS)

    Ram, R. S.; Liévin, J.; Bernath, P. F.

    2002-10-01

    The emission spectra of TaN have been investigated in the region 3000-35 000 cm -1 using a Fourier transform spectrometer. The spectra were observed in a tantalum hollow-cathode lamp by discharging a mixture of 1.5 Torr of Ne and about 6 mTorr of N 2. In addition to previously known bands, numerous additional bands were observed and assigned to a number of new transitions. The spectroscopic properties of the low-lying electronic states of TaN were also predicted by ab initio calculations. A 1Σ + state, with equilibrium constants of Be=0.457 852 1(48) cm -1, α e=0.002 235 9(67) cm -1, and Re=1.683 099 9(88) Å, has been identified as the ground state of TaN based on our experimental observations supported by the ab initio results. The first excited state has been identified as the a3Δ 1 spin component at 2827 cm -1 above the ground state. To higher energies, the states become difficult to assign because of their Hund's case (c) behavior and extensive interactions between the spin components of the electronic terms.

  15. Ab initio dynamics of the cytochrome P450 hydroxylation reaction

    PubMed Central

    Elenewski, Justin E.; Hackett, John C

    2015-01-01

    The iron(IV)-oxo porphyrin π-cation radical known as Compound I is the primary oxidant within the cytochromes P450, allowing these enzymes to affect the substrate hydroxylation. In the course of this reaction, a hydrogen atom is abstracted from the substrate to generate hydroxyiron(IV) porphyrin and a substrate-centered radical. The hydroxy radical then rebounds from the iron to the substrate, yielding the hydroxylated product. While Compound I has succumbed to theoretical and spectroscopic characterization, the associated hydroxyiron species is elusive as a consequence of its very short lifetime, for which there are no quantitative estimates. To ascertain the physical mechanism underlying substrate hydroxylation and probe this timescale, ab initio molecular dynamics simulations and free energy calculations are performed for a model of Compound I catalysis. Semiclassical estimates based on these calculations reveal the hydrogen atom abstraction step to be extremely fast, kinetically comparable to enzymes such as carbonic anhydrase. Using an ensemble of ab initio simulations, the resultant hydroxyiron species is found to have a similarly short lifetime, ranging between 300 fs and 3600 fs, putatively depending on the enzyme active site architecture. The addition of tunneling corrections to these rates suggests a strong contribution from nuclear quantum effects, which should accelerate every step of substrate hydroxylation by an order of magnitude. These observations have strong implications for the detection of individual hydroxylation intermediates during P450 catalysis. PMID:25681906

  16. Ab initio thermodynamic model for magnesium carbonates and hydrates.

    PubMed

    Chaka, Anne M; Felmy, Andrew R

    2014-09-04

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first-principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogues of Ca-based hydrated carbonates monohydrocalcite and ikaite, which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  17. Unified ab initio approaches to nuclear structure and reactions

    DOE PAGES

    Navratil, Petr; Quaglioni, Sofia; Hupin, Guillaume; ...

    2016-04-13

    The description of nuclei starting from the constituent nucleons and the realistic interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of the nuclear forces, with two-, three- and possibly higher many-nucleon components, one faces the quantum-mechanical many-nucleon problem governed by an interplay between bound and continuum states. In recent years, significant progress has been made in ab initio nuclear structure and reaction calculations based on input from QCD-employing Hamiltonians constructed within chiral effective field theory. After a brief overview of the field, we focus on ab initio many-body approaches—built upon the no-core shell model—that are capable of simultaneously describing both bound and scattering nuclear states, and present results for resonances in light nuclei, reactions important for astrophysics and fusion research. In particular, we review recent calculations of resonances in the 6He halo nucleus, of five- and six-nucleon scattering, and an investigation of the role of chiral three-nucleon interactions in the structure of 9Be. Further, we discuss applications to the 7Bemore » $${({\\rm{p}},\\gamma )}^{8}{\\rm{B}}$$ radiative capture. Lastly, we highlight our efforts to describe transfer reactions including the 3H$${({\\rm{d}},{\\rm{n}})}^{4}$$He fusion.« less

  18. Implementation of renormalized excitonic method at ab initio level.

    PubMed

    Zhang, Hongjiang; Malrieu, Jean-Paul; Ma, Haibo; Ma, Jing

    2012-01-05

    The renormalized excitonic method [Hajj et al., Phys Rev B 2005, 72, 224412], in which the excited state of the whole system may be described as a linear combination of local excitations, has been implemented at ab initio level. Its performance is tested on the ionization potential and the energy gap between singlet ground state and lowest triplet for linear molecular hydrogen chains and more realistic systems, such as polyenes and polysilenes, using full configuration interaction (FCI) wave functions with a minimal basis set. The influence of different block sizes and the extent of interblock interactions are investigated. It has been demonstrated that satisfactory results can be obtained if the near degeneracies between the model space and the outer space are avoided and if interactions between the next-nearest neighbor blocks are considered. The method can be used with larger basis sets and other accurate enough ab initio evaluations (instead of FCI) of local excited states, from blocks, or from dimers or trimers of blocks. It provides a new possibility to accurately and economically describe the low-lying delocalized excited states of large systems, even inhomogeneous ones.

  19. AB INITIO SIMULATIONS FOR MATERIAL PROPERTIES ALONG THE JUPITER ADIABAT

    SciTech Connect

    French, Martin; Becker, Andreas; Lorenzen, Winfried; Nettelmann, Nadine; Bethkenhagen, Mandy; Redmer, Ronald; Wicht, Johannes

    2012-09-15

    We determine basic thermodynamic and transport properties of hydrogen-helium-water mixtures for the extreme conditions along Jupiter's adiabat via ab initio simulations, which are compiled in an accurate and consistent data set. In particular, we calculate the electrical and thermal conductivity, the shear and longitudinal viscosity, and diffusion coefficients of the nuclei. We present results for associated quantities like the magnetic and thermal diffusivity and the kinematic shear viscosity along an adiabat that is taken from a state-of-the-art interior structure model. Furthermore, the heat capacities, the thermal expansion coefficient, the isothermal compressibility, the Grueneisen parameter, and the speed of sound are calculated. We find that the onset of dissociation and ionization of hydrogen at about 0.9 Jupiter radii marks a region where the material properties change drastically. In the deep interior, where the electrons are degenerate, many of the material properties remain relatively constant. Our ab initio data will serve as a robust foundation for applications that require accurate knowledge of the material properties in Jupiter's interior, e.g., models for the dynamo generation.

  20. Ab initio study of hot electrons in GaAs

    PubMed Central

    Bernardi, Marco; Vigil-Fowler, Derek; Ong, Chin Shen; Neaton, Jeffrey B.; Louie, Steven G.

    2015-01-01

    Hot carrier dynamics critically impacts the performance of electronic, optoelectronic, photovoltaic, and plasmonic devices. Hot carriers lose energy over nanometer lengths and picosecond timescales and thus are challenging to study experimentally, whereas calculations of hot carrier dynamics are cumbersome and dominated by empirical approaches. In this work, we present ab initio calculations of hot electrons in gallium arsenide (GaAs) using density functional theory and many-body perturbation theory. Our computed electron–phonon relaxation times at the onset of the Γ, L, and X valleys are in excellent agreement with ultrafast optical experiments and show that the ultrafast (tens of femtoseconds) hot electron decay times observed experimentally arise from electron–phonon scattering. This result is an important advance to resolve a controversy on hot electron cooling in GaAs. We further find that, contrary to common notions, all optical and acoustic modes contribute substantially to electron–phonon scattering, with a dominant contribution from transverse acoustic modes. This work provides definitive microscopic insight into hot electrons in GaAs and enables accurate ab initio computation of hot carriers in advanced materials. PMID:25870287

  1. Ab initio dynamics of the cytochrome P450 hydroxylation reaction

    SciTech Connect

    Elenewski, Justin E.; Hackett, John C

    2015-02-14

    The iron(IV)-oxo porphyrin π-cation radical known as Compound I is the primary oxidant within the cytochromes P450, allowing these enzymes to affect the substrate hydroxylation. In the course of this reaction, a hydrogen atom is abstracted from the substrate to generate hydroxyiron(IV) porphyrin and a substrate-centered radical. The hydroxy radical then rebounds from the iron to the substrate, yielding the hydroxylated product. While Compound I has succumbed to theoretical and spectroscopic characterization, the associated hydroxyiron species is elusive as a consequence of its very short lifetime, for which there are no quantitative estimates. To ascertain the physical mechanism underlying substrate hydroxylation and probe this timescale, ab initio molecular dynamics simulations and free energy calculations are performed for a model of Compound I catalysis. Semiclassical estimates based on these calculations reveal the hydrogen atom abstraction step to be extremely fast, kinetically comparable to enzymes such as carbonic anhydrase. Using an ensemble of ab initio simulations, the resultant hydroxyiron species is found to have a similarly short lifetime, ranging between 300 fs and 3600 fs, putatively depending on the enzyme active site architecture. The addition of tunneling corrections to these rates suggests a strong contribution from nuclear quantum effects, which should accelerate every step of substrate hydroxylation by an order of magnitude. These observations have strong implications for the detection of individual hydroxylation intermediates during P450 catalysis.

  2. Ab Initio Thermodynamic Model for Magnesium Carbonates and Hydrates

    SciTech Connect

    Chaka, Anne M.; Felmy, Andrew R.

    2014-03-28

    An ab initio thermodynamic framework for predicting properties of hydrated magnesium carbonate minerals has been developed using density-functional theory linked to macroscopic thermodynamics through the experimental chemical potentials for MgO, water, and CO2. Including semiempirical dispersion via the Grimme method and small corrections to the generalized gradient approximation of Perdew, Burke, and Ernzerhof for the heat of formation yields a model with quantitative agreement for the benchmark minerals brucite, magnesite, nesquehonite, and hydromagnesite. The model shows how small differences in experimental conditions determine whether nesquehonite, hydromagnesite, or magnesite is the result of laboratory synthesis from carbonation of brucite, and what transformations are expected to occur on geological time scales. Because of the reliance on parameter-free first principles methods, the model is reliably extensible to experimental conditions not readily accessible to experiment and to any mineral composition for which the structure is known or can be hypothesized, including structures containing defects, substitutions, or transitional structures during solid state transformations induced by temperature changes or processes such as water, CO2, or O2 diffusion. Demonstrated applications of the ab initio thermodynamic framework include an independent means to evaluate differences in thermodynamic data for lansfordite, predicting the properties of Mg analogs of Ca-based hydrated carbonates monohydrocalcite and ikaite which have not been observed in nature, and an estimation of the thermodynamics of barringtonite from the stoichiometry and a single experimental observation.

  3. H2A.B facilitates transcription elongation at methylated CpG loci

    PubMed Central

    Chen, Yibin; Chen, Qiang; McEachin, Richard C.; Cavalcoli, James D.; Yu, Xiaochun

    2014-01-01

    H2A.B is a unique histone H2A variant that only exists in mammals. Here we found that H2A.B is ubiquitously expressed in major organs. Genome-wide analysis of H2A.B in mouse ES cells shows that H2A.B is associated with methylated DNA in gene body regions. Moreover, H2A.B-enriched gene loci are actively transcribed. One typical example is that H2A.B is enriched in a set of differentially methylated regions at imprinted loci and facilitates transcription elongation. These results suggest that H2A.B positively regulates transcription elongation by overcoming DNA methylation in the transcribed region. It provides a novel mechanism by which transcription is regulated at DNA hypermethylated regions. PMID:24402521

  4. Genetic analysis of absB, a Streptomyces coelicolor locus involved in global antibiotic regulation.

    PubMed

    Adamidis, T; Champness, W

    1992-07-01

    The filamentous soil bacterium Streptomyces coelicolor is known to produce four antibiotics which are genetically and structurally distinct. An extensive search for antibiotic regulatory mutants led to the discovery of absB mutants, which are antibiotic deficient but sporulation proficient. Genetic analysis of the absB mutants has resulted in definition of the absB locus at 5 o'clock on the genetic map. Multiple cloned copies of the actII-ORF4 gene, an activator of synthesis of the antibiotic actinorhodin, restore actinorhodin biosynthetic capability to the absB mutants. These results are interpreted to mean that the failure of absB mutants to produce antibiotics results from decreased expression of the antibiotic genes. The absB gene is proposed to be involved in global regulation of antibiotic synthesis.

  5. Ab-initio kinetics and thermodynamics studies of ammonia-borane for hydrogen storage

    NASA Astrophysics Data System (ADS)

    Miranda, Caetano R.; Ceder, Gerbrand

    2007-03-01

    Ammonia-borane (BH3NH3) is a promising chemical hydrogen storage material given its high gravimetry and volumetric properties. However, the ammonia-borane (AB) thermal hydrogen release is not very efficient, being mainly limited by the kinetics of hydrogenation. Using ab initio calculations, we have investigated the thermodynamics and kinetics of hydrogen release on AB by calculating the free energies of the H2 release reactions for different possible decomposition products. Our results indicate that AB regeneration through the ammonia-borane polymeric and borazine-cyclotriborazane cycles is very unlikely due to the strong exothermic character of the reactions. The kinetics of hydrogen release is further investigated with the recently developed metadynamics method. This method allows us to calculate the multidimensional free energy surface of hydrogen release on AB. Our simulations reveal the atomistic mechanism of hydrogenation and provide the free energies barriers and transition states involved in inter and intramolecule H2 release on AB.

  6. ABS polymer electroless plating through a one-step poly(acrylic acid) covalent grafting.

    PubMed

    Garcia, Alexandre; Berthelot, Thomas; Viel, Pascal; Mesnage, Alice; Jégou, Pascale; Nekelson, Fabien; Roussel, Sébastien; Palacin, Serge

    2010-04-01

    A new, efficient, palladium- and chromium-free process for the electroless plating of acrylonitrile-butadiene-styrene (ABS) polymers has been developed. The process is based on the ion-exchange properties of poly(acrylic acid) (PAA) chemically grafted onto ABS via a simple and one-step method that prevents using classical surface conditioning. Hence, ABS electroless plating can be obtained in three steps, namely: (i) the grafting of PAA onto ABS, (ii) the copper Cu(0) seeding of the ABS surface, and (iii) the nickel or copper metallization using commercial-like electroless plating bath. IR, XPS, and SEM were used to characterize each step of the process, and the Cu loading was quantified by atomic absorption spectroscopy. This process successfully compares with the commercial one based on chromic acid etching and palladium-based seed layer, because the final metallic layer showed excellent adhesion with the ABS substrate.

  7. Parametric Study of Carbon Nanotube Production by Laser Ablation Process

    NASA Technical Reports Server (NTRS)

    Arepalli, Sivaram; Nikolaev, Pavel; Holmes, William; Hadjiev, Victor; Scott, Carl

    2002-01-01

    Carbon nanotubes form a new class of nanomaterials that are presumed to have extraordinary mechanical, electrical and thermal properties. The single wall nanotubes (SWNTs) are estimated to be 100 times stronger than steel with 1/6th the weight; electrical carrying capacity better than copper and thermal conductivity better than diamond. Applications of these SWNTs include possible weight reduction of aerospace structures, multifunctional materials, nanosensors and nanoelectronics. Double pulsed laser vaporization process produces SWNTs with the highest percentage of nanotubes in the output material. The normal operating conditions include a green laser pulse closely followed by an infrared laser pulse. Lasers ab late a metal-containing graphite target located in a flow tube maintained in an oven at 1473K with argon flow of 100 sccm at a 500 Torr pressure. In the present work a number of production runs were carried out, changing one operating condition at a time. We have studied the effects of nine parameters, including the sequencing of the laser pulses, pulse separation times, laser energy densities, the type of buffer gas used, oven temperature, operating pressure, flow rate and inner flow tube diameters. All runs were done using the same graphite target. The collected nanotube material was characterized by a variety of analytical techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman and thermo gravimetric analysis (TGA). Results indicate trends that could be used to optimize the process and increase the efficiency of the production process.

  8. Premixed, injectable PLA-modified calcium deficient apatite biocement (cd-AB) with washout resistance.

    PubMed

    Wu, Fan; Ngothai, Yung; Wei, Jie; Liu, Changsheng; O'Neill, Brian; Wu, Yuequn

    2012-04-01

    By using a non-aqueous solution as the mixing liquid, the washout resistance of the calcium deficient apatite biocement (cd-AB) was significantly improved, over that of the conventional method of using cd-AB with water as the liquid phase. In this study, premixed and injectable cd-AB was prepared, which had the advantage of being stable in the syringe and hardens only after being delivered to the defect area. The cd-AB powder with a Ca/P ratio of 1.5 consists of a mixture of tetracalcium phosphate (TTCP) and dicalcium phosphate anhydrous (DCPA). A solution of polylactide (PLA) in N-methyl-2-pyrrolidone (NMP) was used as the liquid phase of the premixed cd-AB. The premixed cd-AB paste injected into an aqueous environment exhibited excellent washout resistance. The premixed cd-AB had longer setting time and lower compressive strength than conventional cd-AB. The hydration products of premixed cd-AB were a mixture of calcium deficient hydroxyapatite (cd-HA) and PLA. In vitro Tris-HCl immersion tests demonstrated that the premixed cd-AB could be degradable. The results revealed that the premixed cd-AB was cytocompatible and had no adverse effects on the attachment and proliferation of MG-63 osteoblast-like cells in vitro. The most distinct advantages of premixed and injectable PLA-modified cd-AB were its excellent washout resistance and in vitro degradability, suggesting that it may be a promising candidate for bone repair.

  9. Performance of the molecular Alere I influenza A&B test compared to that of the xpert flu A/B assay.

    PubMed

    Chapin, Kimberle C; Flores-Cortez, Estefany J

    2015-02-01

    Data on the performance of rapid molecular point-of-care use platforms for diagnosis of influenza are lacking. We validated nasopharyngeal (NP) flocked specimens in universal transport medium (UTM) and evaluated the clinical sensitivity and specificity of the Alere i influenza A&B test compared to those of the Xpert flu A/B assay. The Alere i influenza A&B test had an overall sensitivity and specificity of 93.8% and 62.5% for influenza A, respectively, and of 91.8% and 53.6% for influenza B, respectively. The poor specificity was due to influenza virus samples determined positive for both type A and B.

  10. Monte Carlo modeling of the dual-mode regime in quantum-well and quantum-dot semiconductor lasers.

    PubMed

    Chusseau, Laurent; Philippe, Fabrice; Disanto, Filippo

    2014-03-10

    Monte Carlo markovian models of a dual-mode semiconductor laser with quantum well (QW) or quantum dot (QD) active regions are proposed. Accounting for carriers and photons as particles that may exchange energy in the course of time allows an ab initio description of laser dynamics such as the mode competition and intrinsic laser noise. We used these models to evaluate the stability of the dual-mode regime when laser characteristics are varied: mode gains and losses, non-radiative recombination rates, intraband relaxation time, capture time in QD, transfer of excitation between QD via the wetting layer... As a major result, a possible steady-state dual-mode regime is predicted for specially designed QD semiconductor lasers thereby acting as a CW microwave or terahertz-beating source whereas it does not occur for QW lasers.

  11. Development of Anti-lock Braking System (ABS) for Vehicles Braking

    NASA Astrophysics Data System (ADS)

    Minh, Vu Trieu; Oamen, Godwin; Vassiljeva, Kristina; Teder, Leo

    2016-11-01

    This paper develops a real laboratory of anti-lock braking system (ABS) for vehicle and conducts real experiments to verify the ability of this ABS to prevent the vehicle wheel from being locked while braking. Two controllers of PID and fuzzy logic are tested for analysis and comparison. This ABS laboratory is designed for bachelor and master students to simulate and analyze performances of ABS with different control techniques on various roads and load conditions. This paper provides educational theories and practices on the design of control for system dynamics.

  12. Comparative study of electroless copper film on different self-assembled monolayers modified ABS substrate.

    PubMed

    Xu, Jiushuai; Fan, Ruibin; Wang, Jiaolong; Jia, Mengke; Xiong, Xuanrui; Wang, Fang

    2014-04-15

    Copper films were grown on (3-Mercaptopropyl)trimethoxysilane (MPTMS), (3-Aminopropyl)triethoxysilane (APTES) and 6-(3-(triethoxysilyl)propylamino)-1,3,5- triazine-2,4-dithiol monosodium (TES) self-assembled monolayers (SAMs) modified acrylonitrile-butadiene-styrene (ABS) substrate via electroless copper plating. The copper films were examined using scanning electron microscopy (SEM) and X-ray diffraction (XRD). Their individual deposition rate and contact angle were also investigated to compare the properties of SAMs and electroless copper films. The results indicated that the formation of copper nuclei on the TES-SAMs modified ABS substrate was faster than those on the MPTMS-SAMs and APTES-SAMs modified ABS substrate. SEM images revealed that the copper film on TES-SAM modified ABS substrate was smooth and uniform, and the density of copper nuclei was much higher. Compared with that of TES-SAMs modified resin, the coverage of copper nuclei on MPTMS and APTES modified ABS substrate was very limited and the copper particle size was too big. The adhesion property test demonstrated that all the SAMs enhanced the interfacial interaction between copper plating and ABS substrate. XRD analysis showed that the copper film deposited on SAM-modified ABS substrate had a structure with Cu(111) preferred orientation, and the copper film deposited on TES-SAMs modified ABS substrate is better than that deposited on MPTMS-SAMs or APTES-SAMs modified ABS resins in electromigrtion resistance.

  13. Nanocrystal waveguide (NOW) laser

    DOEpatents

    Simpson, John T.; Simpson, Marcus L.; Withrow, Stephen P.; White, Clark W.; Jaiswal, Supriya L.

    2005-02-08

    A solid state laser includes an optical waveguide and a laser cavity including at least one subwavelength mirror disposed in or on the optical waveguide. A plurality of photoluminescent nanocrystals are disposed in the laser cavity. The reflective subwavelength mirror can be a pair of subwavelength resonant gratings (SWG), a pair of photonic crystal structures (PC), or a distributed feedback structure. In the case of a pair of mirrors, a PC which is substantially transmissive at an operating wavelength of the laser can be disposed in the laser cavity between the subwavelength mirrors to improve the mode structure, coherence and overall efficiency of the laser. A method for forming a solid state laser includes the steps of providing an optical waveguide, creating a laser cavity in the optical waveguide by disposing at least one subwavelength mirror on or in the waveguide, and positioning a plurality of photoluminescent nanocrystals in the laser cavity.

  14. Infrared laser system

    DOEpatents

    Cantrell, Cyrus D.; Carbone, Robert J.; Cooper, Ralph

    1982-01-01

    An infrared laser system and method for isotope separation may comprise a molecular gas laser oscillator to produce a laser beam at a first wavelength, Raman spin flip means for shifting the laser to a second wavelength, a molecular gas laser amplifier to amplify said second wavelength laser beam to high power, and optical means for directing the second wavelength, high power laser beam against a desired isotope for selective excitation thereof in a mixture with other isotopes. The optical means may include a medium which shifts the second wavelength high power laser beam to a third wavelength, high power laser beam at a wavelength coincidental with a corresponding vibrational state of said isotope and which is different from vibrational states of other isotopes in the gas mixture.

  15. Infrared laser system

    DOEpatents

    Cantrell, Cyrus D.; Carbone, Robert J.; Cooper, Ralph S.

    1977-01-01

    An infrared laser system and method for isotope separation may comprise a molecular gas laser oscillator to produce a laser beam at a first wavelength, Raman spin flip means for shifting the laser to a second wavelength, a molecular gas laser amplifier to amplify said second wavelength laser beam to high power, and optical means for directing the second wavelength, high power laser beam against a desired isotope for selective excitation thereof in a mixture with other isotopes. The optical means may include a medium which shifts the second wavelength high power laser beam to a third wavelength, high power laser beam at a wavelength coincidental with a corresponding vibrational state of said isotope and which is different from vibrational states of other isotopes in the gas mixture.

  16. 2MASS 22344161+4041387AB: A WIDE, YOUNG, ACCRETING, LOW-MASS BINARY IN THE LkH{alpha}233 GROUP

    SciTech Connect

    Allers, K. N.; Liu, Michael C.; Cushing, Michael C.; Dupuy, Trent J.; Mathews, Geoffrey S.; Shkolnik, Evgenya; Reid, I. Neill; Cruz, Kelle L.; Vacca, W. D.

    2009-05-20

    We report the discovery of a young, 0.''16 binary, 2M2234+4041AB, found as the result of a Keck laser guide star adaptive optics imaging survey of young field ultracool dwarfs. Spatially resolved near-infrared photometry and spectroscopy indicate that the luminosity and temperature ratios of the system are near unity. From optical and near-infrared spectroscopy, we determine a composite spectral type of M6 for the system. Gravity-sensitive spectral features in the spectra of 2M2234+4041AB are best matched to those of young objects ({approx}1 Myr old). A comparison of the T {sub eff} and age of 2M2234+4041AB to evolutionary models indicates that the mass of each component is 0.10{sup +0.075} {sub -0.04} M {sub sun}. Emission lines of H{alpha} in the composite optical spectrum of the system and Br{gamma} in spatially resolved near-IR spectra of the two components indicate that the system is actively accreting. Both components of the system have IR excesses, indicating that they both harbor circumstellar disks. Though 2M2234+4041AB was originally identified as a young field dwarf, it lies 1.'5 from the well-studied Herbig Ae/Be star, LkH{alpha}233. The distance to LkH{alpha}233 is typically assumed to be 880 pc. It is unlikely that 2M2234+4041AB could be this distant, as it would then be more luminous than any known Taurus objects of similar spectral type. We re-evaluate the distance to the LkH{alpha}233 group and find a value of 325{sup +72} {sub -50} pc, based on the Hipparcos distance to a nearby B3-type group member (HD 213976). 2M2234+4041AB is the first low-mass star to be potentially associated with the LkH{alpha}233 group. At a distance of 325 pc, its projected physical separation is 51 AU, making it one of the growing number of wide, low-mass binaries found in young star-forming regions.

  17. Research in Materials Science. 1. Optoelectronic Materials and Components: Miniaturized Thin Film Laser Sources and Modulators. 2. Superconducting Transition Metal Alloys. 3. Chemical Synthesis Using High Temperature Lithium Vapor Species

    DTIC Science & Technology

    1975-12-31

    the upper laser level in materials such as Er3+ or Yb3+ sensitized Ho3+ laser materials and Yb3+ sensitized Tm3 + laser materials. A model of energy...transfer in the Yb3+- Tm3 + system was anlayzed which showed the Importance of upconversion and how to minimize Its effects. The effects of...upconversion were experimentally demonstrated in the Er3+-Ho3+ system, including the reduction in the efficiency of the aB- YLF laser by 50%. Laser operation

  18. Laser Surveying

    NASA Technical Reports Server (NTRS)

    1978-01-01

    NASA technology has produced a laser-aided system for surveying land boundaries in difficult terrain. It does the job more accurately than conventional methods, takes only one-third the time normally required, and is considerably less expensive. In surveying to mark property boundaries, the objective is to establish an accurate heading between two "corner" points. This is conventionally accomplished by erecting a "range pole" at one point and sighting it from the other point through an instrument called a theodolite. But how do you take a heading between two points which are not visible to each other, for instance, when tall trees, hills or other obstacles obstruct the line of sight? That was the problem confronting the U.S. Department of Agriculture's Forest Service. The Forest Service manages 187 million acres of land in 44 states and Puerto Rico. Unfortunately, National Forest System lands are not contiguous but intermingled in complex patterns with privately-owned land. In recent years much of the private land has been undergoing development for purposes ranging from timber harvesting to vacation resorts. There is a need for precise boundary definition so that both private owners and the Forest Service can manage their properties with confidence that they are not trespassing on the other's land.

  19. Alexandrite laser pumped by semiconductor lasers

    SciTech Connect

    Scheps, R.; Gately, B.M.; Myers, J.F. ); Krasinski, J.S. ); Heller, D.F. )

    1990-06-04

    We report the first operation of a direct diode-pumped tunable chromium-doped solid-state laser. A small alexandrite (Cr:BeAl{sub 2}O{sub 4}) crystal was longitudinally pumped by two visible laser diodes. The threshold pump power was 12 mW using the {ital R}{sub 1} line at 680.4 nm for the pump transition, and the slope efficiency was 25%. The measured laser output bandwidth was 2.1 nm.

  20. Alexandrite laser pumped by semiconductor lasers

    NASA Astrophysics Data System (ADS)

    Scheps, Richard; Gately, Bernard M.; Myers, Joseph F.; Krasinski, Jerzy S.; Heller, Donald F.

    1990-06-01

    We report the first operation of a direct diode-pumped tunable chromium-doped solid-state laser. A small alexandrite (Cr:BeAl2O4) crystal was longitudinally pumped by two visible laser diodes. The threshold pump power was 12 mW using the R1 line at 680.4 nm for the pump transition, and the slope efficiency was 25%. The measured laser output bandwidth was 2.1 nm.

  1. Lasers in aviation

    NASA Astrophysics Data System (ADS)

    Goncharov, I. N.; Dezhin, V. N.; Kutakhov, V. P.; Petukhov, A. V.; Sidorin, V. M.; Sukhar, I. M.

    The way in which lasers are being incorporated into the military aircraft of the United States and the countries of Western Europe is discussed. Descriptions are given of laser weapons-guiding systems (including ranger finders and systems for target illumination), laser systems for navigation and flight-safety assurance (gyroscopes, velocity gauges, altimeters, systems providing meteorological data, proximity warning systems), and laser systems for air reconnaissance, communications, and control. Attention is also given to the Glissada laser guide path system, developed in the USSR. The physics of the systems is emphasized in the description and the principles underlying the operation of a laser are discussed in the introduction.

  2. Lasers in periodontics.

    PubMed

    Elavarasu, Sugumari; Naveen, Devisree; Thangavelu, Arthiie

    2012-08-01

    Laser is one of the most captivating technologies in dental practice since Theodore Maiman in 1960 invented the ruby laser. Lasers in dentistry have revolutionized several areas of treatment in the last three and a half decades of the 20(th) century. Introduced as an alternative to mechanical cutting device, laser has now become an instrument of choice in many dental applications. Evidence suggests its use in initial periodontal therapy, surgery, and more recently, its utility in salvaging implant opens up a wide range of applications. More research with better designs are a necessity before lasers can become a part of dental armamentarium. This paper gives an insight to laser in periodontics.

  3. Tunable chromium lasers

    SciTech Connect

    Chase, L.L.; Payne, S.A.

    1989-01-01

    During the decade that has passed since the discovery of the alexandrite laser, many other tunable vibronic sideband lasers based on Cr/sup 3 +/ have been developed. These lasers span the wavelength range from 700 nm to at least 1235 nm. Experimental and theoretical research has provided an understanding of the important factors that influence the performance of these Cr/sup 3 +/ lasers and other solid state vibronic lasers. The intrinsic performance levels of some of the most promising Cr/sup 3 +/ lasers are evaluated from extrapolated slope efficiency measurements. 7 refs., 4 figs., 2 tabs.

  4. Maser and laser engineering

    SciTech Connect

    Ishii, T.K.

    1980-01-01

    This book is intended to be a textbook for an upper division one-semester electrical engineering course. Students are expected to have had some undegraduate course work in modern physics and in electromagnetic field theory. General aspects regarding devices based on quantum electronics are considered along with gas masers, solid masers, gas lasers, solid lasers, semiconductor lasers, liquid lasers, modulation techniques for lasers, and opto-electrical demodulators and energy convertors. Attention is given to quantum electric harmonic generators, Raman lasers, optical parametric interactions, holograms, optical terms, crystallographic terms, band theory, Schroedinger formulation and Dirac formation, and the quantum number of electrons in a hydrogen atom.

  5. Laser peening of metals- enabling laser technology

    SciTech Connect

    Dane, C.B.; Hackel, L.A.; Daly, J.; Harrisson, J.

    1997-11-13

    Laser peening, a surface treatment for metals, employs laser induced shocks to create deep and intense residual stresses in critical components. In many applications this technology is proving to be superior to conventional treatments such as shot peening. The laser peening process has generated sufficiently impressive results to move it from a laboratory demonstration phase into a significant industrial process. However until now this evolution has been slowed because a laser system meeting the average power requirements for a high throughput process has been lacking.

  6. Interatomic Coulombic decay widths of helium trimer: Ab initio calculations

    SciTech Connect

    Kolorenč, Přemysl; Sisourat, Nicolas

    2015-12-14

    We report on an extensive study of interatomic Coulombic decay (ICD) widths in helium trimer computed using a fully ab initio method based on the Fano theory of resonances. Algebraic diagrammatic construction for one-particle Green’s function is utilized for the solution of the many-electron problem. An advanced and universal approach to partitioning of the configuration space into discrete states and continuum subspaces is described and employed. Total decay widths are presented for all ICD-active states of the trimer characterized by one-site ionization and additional excitation of an electron into the second shell. Selected partial decay widths are analyzed in detail, showing how three-body effects can qualitatively change the character of certain relaxation transitions. Previously unreported type of three-electron decay processes is identified in one class of the metastable states.

  7. Ab initio electronic and lattice dynamical properties of cerium dihydride

    NASA Astrophysics Data System (ADS)

    Gurel, Tanju; Eryigit, Resul

    2007-03-01

    The rare-earth metal hydrides are interesting systems because of the dramatic structural and electronic changes due to the hydrogen absorption and desorption. Among them, cerium dihydride (CeH2) is one of the less studied rare-earth metal-hydride. To have a better understanding, we have performed an ab initio study of electronic and lattice dynamical properties of CeH2 by using pseudopotential density functional theory within local density approximation (LDA) and a plane-wave basis. Electronic band structure of CeH2 have been obtained within LDA and as well as GW approximation. Lattice dynamical properties are calculated using density functional perturbation theory. The phonon spectrum is found to contain a set of high-frequency (˜ 850-1000 cm-1) optical bands, mostly hydrogen related, and low frequency cerium related acoustic modes climbing to 160 cm^ -1 at the zone boundary.

  8. Approximate ab initio calculations of electronic structure of amorphous silicon

    NASA Astrophysics Data System (ADS)

    Durandurdu, M.; Drabold, D. A.; Mousseau, N.

    2000-12-01

    We report on ab initio calculations of electronic states of two large and realistic models of amorphous silicon generated using a modified version of the Wooten-Winer-Weaire algorithm and relaxed, in both cases, with a Keating and a modified Stillinger-Weber potentials. The models have no coordination defects and a very narrow bond-angle distribution. We compute the electronic density-of-states and pay particular attention to the nature of the band-tail states around the electronic gap. All models show a large and perfectly clean optical gap and realistic Urbach tails. Based on these results and the extended quasi-one-dimensional stringlike structures observed for certain eigenvalues in the band tails, we postulate that the generation of model a-Si without localized states might be achievable under certain circumstances.

  9. The ab-initio density matrix renormalization group in practice

    SciTech Connect

    Olivares-Amaya, Roberto; Hu, Weifeng; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic; Nakatani, Naoki

    2015-01-21

    The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

  10. Ab initio engineering of materials with stacked hexagonal tin frameworks

    PubMed Central

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-01-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator. PMID:27387140

  11. Efficient Ab initio Modeling of Random Multicomponent Alloys.

    PubMed

    Jiang, Chao; Uberuaga, Blas P

    2016-03-11

    We present in this Letter a novel small set of ordered structures (SSOS) method that allows extremely efficient ab initio modeling of random multicomponent alloys. Using inverse II-III spinel oxides and equiatomic quinary bcc (so-called high entropy) alloys as examples, we demonstrate that a SSOS can achieve the same accuracy as a large supercell or a well-converged cluster expansion, but with significantly reduced computational cost. In particular, because of this efficiency, a large number of quinary alloy compositions can be quickly screened, leading to the identification of several new possible high-entropy alloy chemistries. The SSOS method developed here can be broadly useful for the rapid computational design of multicomponent materials, especially those with a large number of alloying elements, a challenging problem for other approaches.

  12. Quantum plasmonics: from jellium models to ab initio calculations

    NASA Astrophysics Data System (ADS)

    Varas, Alejandro; García-González, Pablo; Feist, Johannes; García-Vidal, F. J.; Rubio, Angel

    2016-08-01

    Light-matter interaction in plasmonic nanostructures is often treated within the realm of classical optics. However, recent experimental findings show the need to go beyond the classical models to explain and predict the plasmonic response at the nanoscale. A prototypical system is a nanoparticle dimer, extensively studied using both classical and quantum prescriptions. However, only very recently, fully ab initio time-dependent density functional theory (TDDFT) calculations of the optical response of these dimers have been carried out. Here, we review the recent work on the impact of the atomic structure on the optical properties of such systems. We show that TDDFT can be an invaluable tool to simulate the time evolution of plasmonic modes, providing fundamental understanding into the underlying microscopical mechanisms.

  13. Ab initio electronic stopping power of protons in bulk materials

    NASA Astrophysics Data System (ADS)

    Shukri, Abdullah Atef; Bruneval, Fabien; Reining, Lucia

    2016-01-01

    The electronic stopping power is a crucial quantity for ion irradiation: it governs the deposited heat, the damage profile, and the implantation depth. Whereas experimental data are readily available for elemental solids, the data are much more scarce for compounds. Here we develop a fully ab initio computational scheme based on linear response time-dependent density-functional theory to predict the random electronic stopping power (RESP) of materials without any empirical fitting. We show that the calculated RESP compares well with experimental data, when at full convergence, with the inclusion of the core states and of the exchange correlation. We evaluate the unexpectedly limited magnitude of the nonlinear terms in the RESP by comparing with other approaches based on the time propagation of time-dependent density-functional theory. Finally, we check the validity of a few empirical rules of thumbs that are commonly used to estimate the electronic stopping power.

  14. Ab initio study of II-(VI)2 dichalcogenides

    NASA Astrophysics Data System (ADS)

    Olsson, P.; Vidal, J.; Lincot, D.

    2011-10-01

    The structural stabilities of the (Zn,Cd)(S,Se,Te)2 dichalcogenides have been determined ab initio. These compounds are shown to be stable in the pyrite phase, in agreement with available experiments. Structural parameters for the ZnTe2 pyrite semiconductor compound proposed here are presented. The opto-electronic properties of these dichalcogenide compounds have been calculated using quasiparticle GW theory. Bandgaps, band structures and effective masses are proposed as well as absorption coefficients and refraction indices. The compounds are all indirect semiconductors with very flat conduction band dispersion and high absorption coefficients. The work functions and surface properties are predicted. The Te and Se based compounds could be of interest as absorber materials in photovoltaic applications.

  15. Reactive Monte Carlo sampling with an ab initio potential

    DOE PAGES

    Leiding, Jeff; Coe, Joshua D.

    2016-05-04

    Here, we present the first application of reactive Monte Carlo in a first-principles context. The algorithm samples in a modified NVT ensemble in which the volume, temperature, and total number of atoms of a given type are held fixed, but molecular composition is allowed to evolve through stochastic variation of chemical connectivity. We also discuss general features of the method, as well as techniques needed to enhance the efficiency of Boltzmann sampling. Finally, we compare the results of simulation of NH3 to those of ab initio molecular dynamics (AIMD). Furthermore, we find that there are regions of state space formore » which RxMC sampling is much more efficient than AIMD due to the “rare-event” character of chemical reactions.« less

  16. Ab initio engineering of materials with stacked hexagonal tin frameworks

    NASA Astrophysics Data System (ADS)

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-07-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.

  17. Ab initio water pair potential with flexible monomers.

    PubMed

    Jankowski, Piotr; Murdachaew, Garold; Bukowski, Robert; Akin-Ojo, Omololu; Leforestier, Claude; Szalewicz, Krzysztof

    2015-03-26

    A potential energy surface for the water dimer with explicit dependence on monomer coordinates is presented. The surface was fitted to a set of previously published interaction energies computed on a grid of over a quarter million points in the 12-dimensional configurational space using symmetry-adapted perturbation theory and coupled-cluster methods. The present fit removes small errors in published fits, and its accuracy is critically evaluated. The minimum and saddle-point structures of the potential surface were found to be very close to predictions from direct ab initio optimizations. The computed second virial coefficients agreed well with experimental values. At low temperatures, the effects of monomer flexibility in the virial coefficients were found to be much smaller than the quantum effects.

  18. Ab initio study of helium behavior in titanium tritides

    SciTech Connect

    Liang, J. H.; Dai, Yunya; Yang, Li; Peng, SM; Fan, K. M.; Long, XG; Zhou, X. S.; Zu, Xiaotao; Gao, Fei

    2013-03-01

    Ab initio calculations based on density functional theory have been performed to investigate the relative stability of titanium tritides and the helium behavior in stable titanium tritides. The results show that the β-phase TiT1.5 without two tritium along the [100] direction (TiT1.5[100]) is more stable than other possible structures. The stability of titanium tritides decrease with the increased generation of helium in TiT1.5[100]. In addition, helium generated by tritium decay prefers locating at a tetrahedral site, and favorably migrates between two neighbor vacant tetrahedral sites through an intermediate octahedral site in titanium tritides, with a migration energy of 0.23 eV. Furthermore, helium is easily accumulated on a (100) plane in β-phase TiT1.5[100].

  19. Ab initio electron propagator theory of molecular wires. I. Formalism.

    PubMed

    Dahnovsky, Yu; Zakrzewski, V G; Kletsov, A; Ortiz, J V

    2005-11-08

    Ab initio electron propagator methodology may be applied to the calculation of electrical current through a molecular wire. A new theoretical approach is developed for the calculation of the retarded and advanced Green functions in terms of the electron propagator matrix for the bridge molecule. The calculation of the current requires integration in a complex half plane for a trace that involves terminal and Green's-function matrices. Because the Green's-function matrices have complex poles represented by matrices, a special scheme is developed to express these "matrix poles" in terms of ordinary poles. An expression for the current is derived for a terminal matrix of arbitrary rank. For a single terminal orbital, the analytical expression for the current is given in terms of pole strengths, poles, and terminal matrix elements of the electron propagator. It is shown that Dyson orbitals with high pole strengths and overlaps with terminal orbitals are most responsible for the conduction of electrical current.

  20. Ab initio simulations of liquid carbon monoxide at high pressure

    NASA Astrophysics Data System (ADS)

    Leonhardi, Tanis C.; Militzer, Burkhard

    2017-03-01

    Carbon monoxide occurs as a volatile species in the interiors of terrestrial planets, and as a disequilibrium atmospheric constituent in the giant planets. It plays an important role during the accretionary stages of planet formation reacting with gases to form compounds such as CH4 and H2O. The structure of carbon monoxide is unknown over the majority of the temperature and pressure regime in giant planet interiors. Here we perform ab initio molecular dynamics simulations to characterize CO to 140 GPa and 5,000 K. We find that CO is stable as a molecular liquid at lower P-T conditions, as a polymeric liquid at higher P-T conditions found in ice giant interiors, and as a plasma at high-T.

  1. Ab initio Potential Energy Surface for H-H2

    NASA Technical Reports Server (NTRS)

    Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

    1993-01-01

    Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

  2. An ab initio study on anionic aerogen bonds

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Mohammadian-Sabet, Fariba

    2017-01-01

    An ab initio study is carried out to investigate the anionic aerogen bonds in complexes of KrO3, XeO3 and XeOF2 with F-, Cl-, Br-, CN-, NC-, N3-, SH-, SCN-, NCS-, OH- and OCH3- anions. All of the anionic aerogen bonds analyzed here have a partial covalent character. Charge transfer from the anion to the Kr-O or Xe-O σ∗ orbital stabilizes these complexes and leads to a sizable redshift in the corresponding stretching frequencies. The J(Kr-O) or J(Xe-O) spin-spin coupling constants can be regarded as a useful tool for the characterization of strength of the anionic aerogen-bonded complexes.

  3. Ab Initio Study of KCl and NaCl Clusters

    NASA Astrophysics Data System (ADS)

    Brownrigg, Clifton; Hira, Ajit; Pacheco, Jose; Salazar, Justin

    2013-03-01

    We continue our interest in the theoretical study of molecular clusters to examine the chemical properties of small KnCln and NanCln clusters (n = 2 - 15). The potentially important role of these molecular species in biochemical and medicinal processes is well known. This work applies the hybrid ab initio methods of quantum chemistry to derive the different alkali-halide (MnHn) geometries. Of particular interest is the competition between hexagonal ring geometries and rock salt structures. Electronic energies, rotational constants, dipole moments, and vibrational frequencies for these geometries are calculated. Magic numbers for cluster stability are identified and are related to the property of cluster compactness. Mapping of the singlet, triplet, and quintet, potential energy surfaces is performed. Calculations have been performed to examine the interactions of these clusters with some atoms and molecules of biological interest, including O, O2, and Fe. The potential for design of new medicinal drugs is explored.

  4. SEEDS Polarimetric Imagery of the AB Aur Protoplanetary Disk

    NASA Astrophysics Data System (ADS)

    Wisniewski, John P.; Fukagawa, M.; Grady, C.; Hashimoto, J.; Hodapp, K.; Kudo, T.; Munetake, M.; Okamoto, Y.; Tamura, M.; SEEDS Team

    2011-01-01

    The Strategic Exploration of Exoplanets and Disks with Subaru (SEEDS) is a large survey which will be observing roughly 200 protoplanetary and debris disk systems over the next five years using the HiCIAO coronagraph + AO188 system on the Subaru telescope. We present new J-band polarimetric differential imagery of the proto-type Herbig Ae star, AB Aurigae, which diagnoses scattered light from the system between 20 - 540 AU at a resolution of roughly 8 AU. We discuss the morphology we observe in the outer disk region in the context of previous observations of the system, and compare/contrast the morphology in the inner disk region with recent H-band imagery of the system made with HiCIAO (Hashimoto et al 2010). This work was supported in part by NSF grants AST 0802230 and AST 1009314 and the AAS' Chretien International Research Grant.

  5. Simple calculation of ab initio melting curves: Application to aluminum

    NASA Astrophysics Data System (ADS)

    Robert, Grégory; Legrand, Philippe; Arnault, Philippe; Desbiens, Nicolas; Clérouin, Jean

    2015-03-01

    We present a simple, fast, and promising method to compute the melting curves of materials with ab initio molecular dynamics. It is based on the two-phase thermodynamic model of Lin et al [J. Chem. Phys. 119, 11792 (2003), 10.1063/1.1624057] and its improved version given by Desjarlais [Phys. Rev. E 88, 062145 (2013), 10.1103/PhysRevE.88.062145]. In this model, the velocity autocorrelation function is utilized to calculate the contribution of the nuclei motion to the entropy of the solid and liquid phases. It is then possible to find the thermodynamic conditions of equal Gibbs free energy between these phases, defining the melting curve. The first benchmark on the face-centered cubic melting curve of aluminum from 0 to 300 GPa demonstrates how to obtain an accuracy of 5%-10%, comparable to the most sophisticated methods, for a much lower computational cost.

  6. Ab initio quantum transport in atomic carbon chains

    NASA Astrophysics Data System (ADS)

    Botello-Méndez, Andrés R.; Charlier, Jean-Christophe; Banhart, Florian; NAPS Team; Carbyne Collaboration

    2015-03-01

    Carbyne, the sp-hybridized phase of carbon, is still a missing link in the family of carbon allotropes. Recently, detailed electrical measurements and first-principles electronic transport calculations have been performed on monoatomic carbon chains. When the 1D system is under strain, the current-voltage curves exhibit a semiconducting behavior, which corresponds to the polyyne structure of the atomic chain with alternating single and triple bonds. Conversely, when the chain is unstrained, the ohmic behavior is observed in agreement with the metallic cumulene structure with double bonds, confirming recent theoretical predictions, namely that a metal-insulator transition can be induced by adjusting the strain. The key role of the contacting leads is also scrutinized by ab initio quantum conductance calculations, explaining the rectifying behavior measured in monoatomic carbon chains in a non-symmetric contact configuration.

  7. Non-stoichiometric AB5 alloys for metal hydride electrodes

    DOEpatents

    Reilly, James J.; Adzic, Gordana D.; Johnson, John R.; Vogt, Thomas; McBreen, James

    2001-01-01

    The present invention provides a non-stoichiometric alloy comprising a composition having the formula AB.sub.5+X an atomic ratio wherein A is selected from the group consisting of the rare earth metals, yttrium, mischmetal, or a combination thereof; B is nickel and tin, or nickel and tin and at least a third element selected from the group consisting of the elements in group IVA of the periodic table, aluminum, manganese, iron, cobalt, copper, antimony or a combination thereof; X is greater than 0 and less than or equal to about 2.0; and wherein at least one substituted A site is occupied by at least one of the B elements. An electrode incorporating said alloy and an electrochemical cell incorporating said electrode are also described.

  8. High-throughput ab-initio dilute solute diffusion database

    NASA Astrophysics Data System (ADS)

    Wu, Henry; Mayeshiba, Tam; Morgan, Dane

    2016-07-01

    We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.

  9. Ab-initio theory of spin fluctuations in magnets

    NASA Astrophysics Data System (ADS)

    Antropov, Vladimir; Ke, Liqin; van Schilfgaarde, Mark; Katsnelson, Mikhael

    2011-03-01

    We propose a framework for a true ab initio theory of magnetism, based on many-body perturbation theory (MPBT). It fits in naturally with methods based MPBT such as the GW approximation; but the approach can be implemented as an extension to any existing static method for electronic structure such as the local spin density approximation to density functional theory, to include spin fluctuations. Initially we calculated the spin fluctuation contributions using random phase approximation. The self consistency procedure similar to the one used in Moryia-Kawabata theory can be naturally implemented. The fluctuation dissipation theorem is used to calculate the reduction of the mean field magnetic moment in itinerant magnets. The applications of the technique includes traditional 3d ferromagnetic metals, their alloys and compounds and 5f systems.

  10. Spectral Variability and Cloud Structure in Luhman 16AB

    NASA Astrophysics Data System (ADS)

    Burgasser, Adam J.; Gillon, M.; Faherty, J. K.; Triaud, A.; Street, R.

    2014-01-01

    We report resolved near-infrared spectroscopic monitoring observations of the nearby L dwarf/T dwarf binary WISE J104915.57-531906.1AB (aka Luhman 16AB), as part of a broader campaign to characterize the spectral energy distribution and temporal variability of this source. A continuous 45-minute sequence of low-resolution spectra spanning 0.8-2.4 µm was obtained with IRTF/SpeX, concurrent with combined-light optical photometry with TRAPPIST. Our integrated spectral observations confirm the flux reversal of this binary, with the T dwarf secondary being brighter from 0.8-1.5 µm. We observe a wavelength-dependent decline in the relative fluxes of the two components over the course of the observation, concurrent with a decline in the optical brightness of the combined light system, variations that can be successfully modeled with both achromatic (brightness) and chromatic (color) variations in Luhma 16B, assuming Luhma 16A to be nonvariable. We estimate a peak-to-peak amplitude of 13.5% at 1.25 µm over the full lightcurve, intermediate in amplitude and period as the variable early-T dwarfs SIMP 0136+0933 and 2MASS J2139+0220 confirm the correlation suggested by Apai et al. assuming spot sizes are set by the atmospheric Rhines scale. Using a simple two-layer brightness-temperature model, we infer a cloud coverage fraction of 33--57% than varies by up to 50% assuming a 300 K difference between cool cloud tops and hot "holes". The strong variability of Luhman 16B combined with the relative spectral intensities of the A and B components support the model of a patchy disruption of the mineral cloud layer across the L dwarf/T dwarf transition.

  11. Ab initio MCDHF calculations of electron-nucleus interactions

    NASA Astrophysics Data System (ADS)

    Bieroń, Jacek; Froese Fischer, Charlotte; Fritzsche, Stephan; Gaigalas, Gediminas; Grant, Ian P.; Indelicato, Paul; Jönsson, Per; Pyykkö, Pekka

    2015-05-01

    We present recent advances in the development of atomic ab initio multiconfiguration Dirac-Hartree-Fock theory, implemented in the GRASP relativistic atomic structure code. For neutral atoms, the deviations of properties calculated within the Dirac-Hartree-Fock (DHF) method (based on independent particle model of an atomic cloud) are usually dominated by electron correlation effects, i.e. the non-central interactions of individual electrons. We present the recent advances in accurate calculations of electron correlation effects in small, medium, and heavy neutral atoms. We describe methods of systematic development of multiconfiguration expansions leading to systematic, controlled improvement of the accuracy of the ab initio calculations. These methods originate from the concept of the complete active space (CAS) model within the DHF theory, which, at least in principle, permits fully relativistic calculations with full account of electron correlation effects. The calculations within the CAS model on currently available computer systems are feasible only for very light systems. For heavier atoms or ions with more than a few electrons, restrictions have to be imposed on the multiconfiguration expansions. We present methods and tools, which are designed to extend the numerical calculations in a controlled manner, where multiconfiguration expansions account for all leading electron correlation effects. We show examples of applications of the GRASP code to calculations of hyperfine structure constants, but the code may be used for calculations of arbitrary bound-state atomic properties. In recent years it has been applied to calculations of atomic and ionic spectra (transition energies and rates), to determinations of nuclear electromagnetic moments, as well as to calculations related to interactions of bound electrons with nuclear electromagnetic moments leading to violations of discrete symmetries.

  12. Ab initio quantum Monte Carlo simulations of the uniform electron gas without fixed nodes

    NASA Astrophysics Data System (ADS)

    Groth, S.; Schoof, T.; Dornheim, T.; Bonitz, M.

    2016-02-01

    The uniform electron gas (UEG) at finite temperature is of key relevance for many applications in the warm dense matter regime, e.g., dense plasmas and laser excited solids. Also, the quality of density functional theory calculations crucially relies on the availability of accurate data for the exchange-correlation energy. Recently, results for N =33 spin-polarized electrons at high density, rs=r ¯/aB≲4 , and low temperature have been obtained with the configuration path integral Monte Carlo (CPIMC) method [T. Schoof et al., Phys. Rev. Lett. 115, 130402 (2015), 10.1103/PhysRevLett.115.130402]. To achieve these results, the original CPIMC algorithm [T. Schoof et al., Contrib. Plasma Phys. 51, 687 (2011), 10.1002/ctpp.201100012] had to be further optimized to cope with the fermion sign problem (FSP). It is the purpose of this paper to give detailed information on the manifestation of the FSP in CPIMC simulations of the UEG and to demonstrate how it can be turned into a controllable convergence problem. In addition, we present new thermodynamic results for higher temperatures. Finally, to overcome the limitations of CPIMC towards strong coupling, we invoke an independent method—the recently developed permutation blocking path integral Monte Carlo approach [T. Dornheim et al., J. Chem. Phys. 143, 204101 (2015), 10.1063/1.4936145]. The combination of both approaches is able to yield ab initio data for the UEG over the entire density range, above a temperature of about one half of the Fermi temperature. Comparison with restricted path integral Monte Carlo data [E. W. Brown et al., Phys. Rev. Lett. 110, 146405 (2013), 10.1103/PhysRevLett.110.146405] allows us to quantify the systematic error arising from the free particle nodes.

  13. Effect of gamma irradiation on nutritional components and Cry1Ab protein in the transgenic rice with a synthetic cry1Ab gene from Bacillus thuringiensis

    NASA Astrophysics Data System (ADS)

    Wu, Dianxing; Ye, Qingfu; Wang, Zhonghua; Xia, Yingwu

    2004-01-01

    The effects of gamma irradiation on the transgenic rice containing a synthetic cry1Ab gene from Bacillus thuringiensis were investigated. There was almost no difference in the content of the major nutritional components, i.e. crude protein, crude lipid, eight essential amino acids and total ash between the irradiated grains and the non-irradiated transgenic rice. However, the amounts of Cry1Ab protein and apparent amylose in the irradiated transgenic rice were reduced significantly by the doses higher than 200 Gy. In vivo observation showed that Cry1Ab protein contents also decreased in the fresh leaf tissues of survival seedlings after irradiation with 200 Gy or higher doses and showed inhibition of seedling growth. The results indicate that gamma irradiation might improve the quality of transgenic rice due to removal of the toxic Cry1Ab protein.

  14. From Geometry Optimization to Time Dependent Molecular Structure Modeling: Method Developments, ab initio Theories and Applications

    NASA Astrophysics Data System (ADS)

    Liang, Wenkel

    This dissertation consists of two general parts: (I) developments of optimization algorithms (both nuclear and electronic degrees of freedom) for time-independent molecules and (II) novel methods, first-principle theories and applications in time dependent molecular structure modeling. In the first part, we discuss in specific two new algorithms for static geometry optimization, the eigenspace update (ESU) method in nonredundant internal coordinate that exhibits an enhanced performace with up to a factor of 3 savings in computational cost for large-sized molecular systems; the Car-Parrinello density matrix search (CP-DMS) method that enables direct minimization of the SCF energy as an effective alternative to conventional diagonalization approach. For the second part, we consider the time dependence and first presents two nonadiabatic dynamic studies that model laser controlled molecular photo-dissociation for qualitative understandings of intense laser-molecule interaction, using ab initio direct Ehrenfest dynamics scheme implemented with real-time time-dependent density functional theory (RT-TDDFT) approach developed in our group. Furthermore, we place our special interest on the nonadiabatic electronic dynamics in the ultrafast time scale, and presents (1) a novel technique that can not only obtain energies but also the electron densities of doubly excited states within a single determinant framework, by combining methods of CP-DMS with RT-TDDFT; (2) a solvated first-principles electronic dynamics method by incorporating the polarizable continuum solvation model (PCM) to RT-TDDFT, which is found to be very effective in describing the dynamical solvation effect in the charge transfer process and yields a consistent absorption spectrum in comparison to the conventional linear response results in solution. (3) applications of the PCM-RT-TDDFT method to study the intramolecular charge-transfer (CT) dynamics in a C60 derivative. Such work provides insights into the

  15. Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its Effect on Metabolism

    PubMed Central

    Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; Ruppertsberger, Natalie; Tripathi, Shital A.; Guss, Adam M.

    2015-01-01

    ABSTRACT NfnAB catalyzes the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP+. The NfnAB complex has been hypothesized to be the main enzyme for ferredoxin oxidization in strains of Thermoanaerobacterium saccharolyticum engineered for increased ethanol production. NfnAB complex activity was detectable in crude cell extracts of T. saccharolyticum. Activity was also detected using activity staining of native PAGE gels. The nfnAB gene was deleted in different strains of T. saccharolyticum to determine its effect on end product formation. In wild-type T. saccharolyticum, deletion of nfnAB resulted in a 46% increase in H2 formation but otherwise little change in other fermentation products. In two engineered strains with 80% theoretical ethanol yield, loss of nfnAB caused two different responses: in one strain, ethanol yield decreased to about 30% of the theoretical value, while another strain had no change in ethanol yield. Biochemical analysis of cell extracts showed that the ΔnfnAB strain with decreased ethanol yield had NADPH-linked alcohol dehydrogenase (ADH) activity, while the ΔnfnAB strain with unchanged ethanol yield had NADH-linked ADH activity. Deletion of nfnAB caused loss of NADPH-linked ferredoxin oxidoreductase activity in all cell extracts. Significant NADH-linked ferredoxin oxidoreductase activity was seen in all cell extracts, including those that had lost nfnAB. This suggests that there is an unidentified NADH:ferredoxin oxidoreductase (distinct from nfnAB) playing a role in ethanol formation. The NfnAB complex plays a key role in generating NADPH in a strain that had become reliant on NADPH-ADH activity. IMPORTANCE Thermophilic anaerobes that can convert biomass-derived sugars into ethanol have been investigated as candidates for biofuel formation. Many anaerobes have been genetically engineered to increase biofuel formation; however, key aspects of metabolism remain unknown and poorly understood. One example is the

  16. Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its Effect on Metabolism

    SciTech Connect

    Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; Ruppertsberger, Natalie; Tripathi, Shital A.; Guss, Adam M.; Lynd, Lee R.

    2015-06-29

    NfnAB catalyzes the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP+. The NfnAB complex has been hypothesized to be the main enzyme for ferredoxin oxidization in strains of Thermoanaerobacterium saccharolyticum engineered for increased ethanol production. NfnAB complex activity was detectable in crude cell extracts of T. saccharolyticum. In this paper, activity was also detected using activity staining of native PAGE gels. The nfnAB gene was deleted in different strains of T. saccharolyticum to determine its effect on end product formation. In wild-type T. saccharolyticum, deletion of nfnAB resulted in a 46% increase in H2 formation but otherwise little change in other fermentation products. In two engineered strains with 80% theoretical ethanol yield, loss of nfnAB caused two different responses: in one strain, ethanol yield decreased to about 30% of the theoretical value, while another strain had no change in ethanol yield. Biochemical analysis of cell extracts showed that the ΔnfnAB strain with decreased ethanol yield had NADPH-linked alcohol dehydrogenase (ADH) activity, while the ΔnfnAB strain with unchanged ethanol yield had NADH-linked ADH activity. Deletion of nfnAB caused loss of NADPH-linked ferredoxin oxidoreductase activity in all cell extracts. Significant NADH-linked ferredoxin oxidoreductase activity was seen in all cell extracts, including those that had lost nfnAB. This suggests that there is an unidentified NADH:ferredoxin oxidoreductase (distinct from nfnAB) playing a role in ethanol formation. The NfnAB complex plays a key role in generating NADPH in a strain that had become reliant on NADPH-ADH activity. Importance: Thermophilic anaerobes that can convert biomass-derived sugars into ethanol have been investigated as candidates for biofuel formation. Many anaerobes have been genetically engineered to increase biofuel formation; however, key aspects of metabolism remain unknown and poorly

  17. Deletion of nfnAB in Thermoanaerobacterium saccharolyticum and Its Effect on Metabolism

    DOE PAGES

    Lo, Jonathan; Zheng, Tianyong; Olson, Daniel G.; ...

    2015-06-29

    NfnAB catalyzes the reversible transfer of electrons from reduced ferredoxin and NADH to 2 NADP+. The NfnAB complex has been hypothesized to be the main enzyme for ferredoxin oxidization in strains of Thermoanaerobacterium saccharolyticum engineered for increased ethanol production. NfnAB complex activity was detectable in crude cell extracts of T. saccharolyticum. In this paper, activity was also detected using activity staining of native PAGE gels. The nfnAB gene was deleted in different strains of T. saccharolyticum to determine its effect on end product formation. In wild-type T. saccharolyticum, deletion of nfnAB resulted in a 46% increase in H2 formation butmore » otherwise little change in other fermentation products. In two engineered strains with 80% theoretical ethanol yield, loss of nfnAB caused two different responses: in one strain, ethanol yield decreased to about 30% of the theoretical value, while another strain had no change in ethanol yield. Biochemical analysis of cell extracts showed that the ΔnfnAB strain with decreased ethanol yield had NADPH-linked alcohol dehydrogenase (ADH) activity, while the ΔnfnAB strain with unchanged ethanol yield had NADH-linked ADH activity. Deletion of nfnAB caused loss of NADPH-linked ferredoxin oxidoreductase activity in all cell extracts. Significant NADH-linked ferredoxin oxidoreductase activity was seen in all cell extracts, including those that had lost nfnAB. This suggests that there is an unidentified NADH:ferredoxin oxidoreductase (distinct from nfnAB) playing a role in ethanol formation. The NfnAB complex plays a key role in generating NADPH in a strain that had become reliant on NADPH-ADH activity. Importance: Thermophilic anaerobes that can convert biomass-derived sugars into ethanol have been investigated as candidates for biofuel formation. Many anaerobes have been genetically engineered to increase biofuel formation; however, key aspects of metabolism remain unknown and poorly understood. One

  18. Laser Spectroscopy

    NASA Astrophysics Data System (ADS)

    Hollberg, Leo; Bergquist, James Charles; Kasevich, Mark A.

    2008-04-01

    Degenerate gases. Probing vortex pair sizes in the Berezinskii-Kosterlitz-Thouless regime on a two-dimensional lattice of Bose-Einstein condensates / V. Schweikhard ... [et al.]. Interacting Bose-Einstein condensates in random potentials / P. Bouyer ... [et al.]. Towards quantum magnetism with ultracold atoms in optical lattices / I. Bloch -- Precision measurement and fundamental physics. T-violation and the search for a permanent electric dipole moment of the mercury atom / E. N. Fortson -- Quantum information and control I. Quantum information processing and ramsey spectroscopy with trapped ions / C. F. Roos ... [et al.]. Quantum non-demolition counting of photons in a cavity / S. Haroche ... [et al.] -- Ultra-fast control and spectroscopy. Frequency-Comb- assisted mid-infrared spectroscopy / P. de Natale ... [et al.] -- Precision measurement and applications. Precision gravity tests by atom interferometry / G. M. Tino ... [et al.] -- Novel spectroscopic applications. On a variation of the proton-electron mass ratio / W. Ubachs ... [et al.] -- Quantum information and control II. Quantum interface between light and atomic ensembles / H. Krauter ... [et al.] -- Degenerate Fermi gases. An atomic Fermi gas near a P-wave Feshbach resonance / D. S. Jin, J. P. Gaebler and J. T. Stewart. Bragg scattering of correlated atoms from a degenerate Fermi gas / R. J. Ballagh, K. J. Challis and C. W. Gardiner -- Spectroscopy and control of atoms and molecules. Stark and Zeeman deceleration of neutral atoms and molecules / S. D. Hogan ... [et al.]. Generation of coherent, broadband and tunable soft x-ray continuum at the leading edge of the driver laser pulse / A. Jullien ... [et al.]. Controlling neural atoms and photons with optical conveyor belts and ultrathin optical fibers / D. Meschede. W. Alt and A. Rauschenbeutel -- Spectroscopy on the small scale. Wide-field cars-microscopy / C. Heinrich ... [et al.]. Atom nano-optics and nano-lithography / V. I. Balykin ... [et al

  19. Comparison Between Structures and Properties of ABS Nanocomposites Derived from Two Different Kinds of OMT

    NASA Astrophysics Data System (ADS)

    Cai, Yibing; Huang, Fenglin; Xia, Xin; Wei, Qufu; Tong, Xutao; Wei, Anfang; Gao, Weidong

    2010-03-01

    In the present work, the hexadecyl triphenyl phosphonium bromide (P16) and cetyl pyridium chloride (CPC) were used to modify montmorillonite (MMT) based on the structural characteristic of the engineering thermoplastic acrylonitrile-butadiene-styrene copolymer (ABS) and the principle of “like dissolves like”, and then used to prepare the ABS/organic-modified montmorillonite (OMT) nanocomposites by melt-intercalation method. The influences of two different kinds of OMT on the structures and properties of the ABS nanocomposites were characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), high-resolution electron microscopy (HREM), thermogravimetric analyses (TGA), Cone calorimetry and dynamic mechanical analyses (DMA), respectively. The increased basal spacing showed that ABS intercalated into the gallery of the OMT. The morphology indicated that the OMT dispersed well in the ABS resin and the intercalated structure for ABS/OMT-P16 nanocomposites and intercalated-exfoliated structure for ABS/OMT-CPC nanocomposites were respectively formed. The TGA results revealed that onset temperature of thermal degradation and charred residue at 700 °C of the ABS nanocomposites was remarkably enhanced compared to the pure ABS. It was also found from the Cone calorimetry tests that the peak of heat release rate (PHRR) decreased significantly, contributing to the reduced flammability. The DMA measurements indicated that the loading of silicate clays improved the storage modulus of the ABS resin. The partial exfoliation of the OMT-CPC within ABS nanocomposites was advantageous to increasing thermal stability properties, decreasing flammability properties, and improving mechanical properties.

  20. Laser amplifier and method

    DOEpatents

    Backus, Sterling; Kapteyn, Henry C.; Murnane, Margaret M.

    1997-01-01

    Laser amplifiers and methods for amplifying a laser beam are disclosed. A representative embodiment of the amplifier comprises first and second curved mirrors, a gain medium, a third mirror, and a mask. The gain medium is situated between the first and second curved mirrors at the focal point of each curved mirror. The first curved mirror directs and focuses a laser beam to pass through the gain medium to the second curved mirror which reflects and recollimates the laser beam. The gain medium amplifies and shapes the laser beam as the laser beam passes therethough. The third mirror reflects the laser beam, reflected from the second curved mirror, so that the laser beam bypasses the gain medium and return to the first curved mirror, thereby completing a cycle of a ring traversed by the laser beam. The mask defines at least one beam-clipping aperture through which the laser beam passes during a cycle. The gain medium is pumped, preferably using a suitable pumping laser. The laser amplifier can be used to increase the energy of continuous-wave or, especially, pulsed laser beams including pulses of femtosecond duration and relatively high pulse rate.

  1. Laser amplifier and method

    DOEpatents

    Backus, S.; Kapteyn, H.C.; Murnane, M.M.

    1997-07-01

    Laser amplifiers and methods for amplifying a laser beam are disclosed. A representative embodiment of the amplifier comprises first and second curved mirrors, a gain medium, a third mirror, and a mask. The gain medium is situated between the first and second curved mirrors at the focal point of each curved mirror. The first curved mirror directs and focuses a laser beam to pass through the gain medium to the second curved mirror which reflects and recollimates the laser beam. The gain medium amplifies and shapes the laser beam as the laser beam passes therethrough. The third mirror reflects the laser beam, reflected from the second curved mirror, so that the laser beam bypasses the gain medium and return to the first curved mirror, thereby completing a cycle of a ring traversed by the laser beam. The mask defines at least one beam-clipping aperture through which the laser beam passes during a cycle. The gain medium is pumped, preferably using a suitable pumping laser. The laser amplifier can be used to increase the energy of continuous-wave or, especially, pulsed laser beams including pulses of femtosecond duration and relatively high pulse rate. 7 figs.

  2. Controlling mode competition by tailoring the spatial pump distribution in a laser: a resonance-based approach.

    PubMed

    Cerjan, Alexander; Redding, Brandon; Ge, Li; Liew, Seng Fatt; Cao, Hui; Douglas Stone, A

    2016-11-14

    We introduce a simplified version of the steady-state ab initio laser theory for calculating the effects of mode competition in continuous wave lasers using the passive cavity resonances. This new theory harnesses widely available numerical methods that can efficiently calculate the passive cavity resonances, with negligible additional computational overhead. Using this theory, we demonstrate that the pump profile of the laser cavity can be optimized both for highly multi-mode and single-mode emission. An open source implementation of this method has been made available.

  3. Phased laser array for generating a powerful laser beam

    DOEpatents

    Holzrichter, John F.; Ruggiero, Anthony J.

    2004-02-17

    A first injection laser signal and a first part of a reference laser beam are injected into a first laser element. At least one additional injection laser signal and at least one additional part of a reference laser beam are injected into at least one additional laser element. The first part of a reference laser beam and the at least one additional part of a reference laser beam are amplified and phase conjugated producing a first amplified output laser beam emanating from the first laser element and an additional amplified output laser beam emanating from the at least one additional laser element. The first amplified output laser beam and the additional amplified output laser beam are combined into a powerful laser beam.

  4. Hole qualities in laser trepanning of polymeric materials

    NASA Astrophysics Data System (ADS)

    Choudhury, I. A.; Chong, W. C.; Vahid, G.

    2012-09-01

    The present study focuses the effect of four input controllable laser cutting variables on the hole taper and hole circularity in laser trepan drilling of polymeric materials. Experiments have been conducted on acrylonitrile butadiene styrene (ABS) and polymethyl methacrylate (PMMA) polymer sheets. Laser power, assist gas pressure, cutting speed and stand-off distance were selected as independent process variables. Three different holes of diameters 2 mm, 4 mm and 6 mm were drilled in these work materials of 5 mm thickness. A Taguchi L9 orthogonal array with four factors and three levels of each factor was used to plan and conduct the experiments in order to obtain required information with reduced number of experiments. The process performance was ascertained in terms of hole taper and hole circularity. Initial analysis involved in determining the effect of the four process variables on hole taper and circularity for these two polymers at three different hole diameters. From ANOVA analysis, the optimum levels of the four process variables with respect to materials and hole diameters were evaluated. As it was found that the optimum levels of four process variables were different for different hole size and materials, additional analysis was conducted to incorporate the effect of material and hole diameter on the hole taper. From the analysis, the optimum combinations were obtained at compressed air pressure of 2.0 bar, laser power of 500 W, cutting speed of 0.6 m/min, stand-off distance of 5.0 mm, hole diameter of 2.0 mm and material of PMMA. These combinations produced the minimum taper in the hole. The circularity of the hole was more at the entrance than the exit when ABS polymer was laser drilled while in PMMA, the hole was more circular at the exit than the entrance.

  5. Shrimp AHPND-causing plasmids encoding the PirAB toxins as mediated by pirAB-Tn903 are prevalent in various Vibrio species

    PubMed Central

    Xiao, Jinzhou; Liu, Liyuan; Ke, Yiyun; Li, Xiefei; Liu, Yunfei; Pan, Yingjie; Yan, Shuling; Wang, Yongjie

    2017-01-01

    Acute hepatopancreatic necrosis disease (AHPND) is a newly emerging shrimp disease caused by pirAB toxins encoded by a plasmid found in Vibrio parahaemolyticus. The pirAB toxins are the homologs of the Photorhabdus insect-related (Pir) toxins. Here, we report the complete sequences of the AHPND-causing plasmid isolated from V. owensii, as well as those of its 11 siblings (pVH family). In addition, we also included 13 related plasmids (pVH-r family) without the pirAB genes isolated from a variety of species within the Vibrio Harveyi clade. Furthermore, the pirAB-Tn903 composite transposon was identified in pVH, and both ends of the transposon appeared to have inserted simultaneously into the ancestor plasmid at different sites. The homologue counterparts of pirAB were also detected in a non-pVH plasmid in V. campbellii. Taken together, our results provide novel insights into the acquisition and evolution of pirAB as well as related plasmids in the Vibrio Harveyi clade. PMID:28169338

  6. Schedules of Controlled Substances: Extension of Temporary Placement of THJ-2201, AB-PINACA and AB-CHMINACA in Schedule I of the Controlled Substances Act. Temporary order.

    PubMed

    2017-01-27

    The Administrator of the Drug Enforcement Administration is issuing this temporary order to extend the temporary schedule I status of three synthetic cannabinoids pursuant to the temporary scheduling provisions of the Controlled Substances Act. The substances are: [1-(5-Fluoropentyl)-1H-indazol-3-yl](naphthalen-1-yl)methanone (THJ-2201); N-1-Amino-3-methyl-1-oxo-2-butanyl]-1-pentyl-1H-indazole-3-carboxamide (AB-PINACA); N-[1-Amino-3-methyl-1-oxo-2-butanyl]-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide (AB-CHMINACA), including their optical, positional and geometric isomers, salts, and salts of isomers. The current final order temporarily placing THJ-2201, AB-PINACA and AB-CHMINACA into schedule I is in effect through January 29, 2017. This order will extend the temporary scheduling of THJ-2201, AB-PINACA and AB-CHMINACA for one year, or until the permanent scheduling action for these three substances is completed, whichever occurs first.

  7. Reaction test revealed impaired performance at 6.0 atm abs but not at 1.9 atm abs in professional divers.

    PubMed

    Tikkinen, Janne; Parkkola, Kai; Siimes, Martti A

    2013-01-01

    In order to evaluate the effects of ambient pressure on reaction and movement times we investigated 60 professional divers by a computerized test (Reaction Test). The experiments were carried out four times in a hyperbaric chamber: prior to pressure, at 6.0 and 1.9 atm abs and after decompression. Reaction time varied from 202 to 443 milliseconds (275 +/- 42 ms), but the individual levels remained similar. The reaction time increased between precompression and 6.0 atm abs (p < 0.05), decreased between 6.0 and 1.9 atm abs (p < 0.05) and remained at the original level at 1.9 and 1.0 atm abs after decompression. Ten divers had an increase of more than 1SD in the reaction time at 6.0 atm abs. The number of mistakes was small and not influenced by elevation of pressure. Further, the movement time remained unchanged throughout the experiment. We conclude that the response time increases due to ambient pressure and the increase in simple reaction time is detectable in professional divers at 6.0 atm not at 1.9 atm abs. At the same time accuracy stays constant. We speculate that our findings are caused by nitrogen narcosis in some divers.

  8. Laser particle sorter

    DOEpatents

    Martin, J.C.; Buican, T.N.

    1987-11-30

    Method and apparatus are provided for sorting particles, such as biological particles. A first laser is used to define an optical path having an intensity gradient which is effective to propel the particles along the path but which is sufficiently weak that the particles are not trapped in an axial direction. A probe laser beam is provided for interrogating the particles to identify predetermined phenotypical characteristics of the particles. A second laser beam is provided to intersect the driving first laser beam, wherein the second laser beam is activated by an output signal indicative of a predetermined characteristic. The second laser beam is switchable between a first intensity and a second intensity, where the first intensity is effective to displace selected particles from the driving laser beam and the second intensity is effective to propel selected particles along the deflection laser beam. The selected particles may then be propelled by the deflection beam to a location effective for further analysis. 2 figs.

  9. Laser particle sorter

    DOEpatents

    Martin, John C.; Buican, Tudor N.

    1989-01-01

    Method and apparatus for sorting particles, such as biological particles. A first laser defines an optical path having an intensity gradient which is effective to propel the particles along the path but which is sufficiently weak that the particles are not trapped in an axial direction. A probe laser beam interrogates the particles to identify predetermined phenotypical characteristics of the particles. A second laser beam intersects the driving first laser beam, wherein the second laser beam is activated by an output signal indicative of a predetermined characteristic. The second laser beam is switchable between a first intensity and a second intensity, where the first intensity is effective to displace selected particles from the driving laser beam and the second intensity is effective to propel selected particles along the deflection laser beam. The selected particles may then be propelled by the deflection beam to a location effective for further analysis.

  10. Slender tip laser scalpel

    DOEpatents

    Veligdan, James T.

    2004-01-06

    A laser scalpel includes a ribbon optical waveguide extending therethrough and terminating at a slender optical cutting tip. A laser beam is emitted along the height of the cutting tip for cutting tissue therealong.

  11. Laser device and method

    SciTech Connect

    Myers, J. D.

    1985-06-25

    A simplified, relatively inexpensive laser device, wherein the laser elements are fixed in a body exoskeleton of electrical insulating material having a low coefficient of thermal expansion. The preferred embodiment includes a shotgun type laser filter having parallel bores which receive the laser flashlamp and laser rod in fixed relation in a body chamber. The reflector surrounds the laser filter and retains the filter within the body chamber. In the preferred method of this invention, several controlled lasing pulses are generated with each illumination pulse of the flashlamp, substantially increasing the efficiency of the laser device. The number of pulses is generally controlled by increasing the voltage to the flashlamp. The rapid multiple lasing pulses generate an elongated plasma in a fluid medium, such as the vitreous fluid body of an eye which makes the laser device extemely efficient for treating glaucoma and other medical treatments.

  12. Laser hair removal.

    PubMed

    Wanner, Molly

    2005-01-01

    Since 1996, there have been numerous advances in hair laser removal that utilize melanin as a chromophore. All of the devices on the market may be used in patients with light skin (phototypes I-III) and yield hair reduction near 75%. The ruby (694 nm) laser, alexandrite (755 nm) laser, and diode (810 nm) laser, as well as intense pulsed light are commonly used devices for hair laser removal. The long-pulsed Nd:YAG (1064 nm) laser represents the safest device for hair removal in dark-skinned patients because of its long wavelength, although the diode laser, alexandrite laser, and intense pulse light may be used. For treatment of light hair, combination radiofrequency and optical devices as well as photodynamic therapy are under investigation.

  13. Laser Radar Animation

    NASA Video Gallery

    Laser and radar instruments aboard NASA aircraft provide measurements of the snow and ice surface and down to the bedrock under the ice. Lasers, with a shorter wavelength, measure the surface eleva...

  14. Direct nuclear pumped laser

    DOEpatents

    Miley, George H.; Wells, William E.; DeYoung, Russell J.

    1978-01-01

    There is provided a direct nuclear pumped gas laser in which the lasing mechanism is collisional radiated recombination of ions. The gas laser active medium is a mixture of the gases, with one example being neon and nitrogen.

  15. Laser surgery - skin

    MedlinePlus

    Surgery using a laser ... used is directly related to the type of surgery being performed and the color of the tissue ... Laser surgery can be used to: Close small blood vessels to reduce blood loss Remove warts , moles , sunspots, and ...

  16. Laser programs highlights 1993

    SciTech Connect

    1995-06-01

    Over the last two decades, the scope of our laser research has grown immensely. The small, low-power laser systems of our early days have given way to laser systems of record-breaking size and power. Now we are focusing our activities within the target physics and laser science programs to support the ignition and gain goals of the proposed glass-laser National Ignition Facility. In our laser isotope separation work, we completed the most important set of experiments in the history of the AVLIS Program in 1993, which culminated in a spectacularly successful run that met or exceeded all our objectives. We are also developing lasers and laser-related technologies for a variety of energy, commercial, and defense uses. On the horizon are transfers of important technologies for waste treatment, x-ray lithography, communications and security, optical imaging, and remote sensing, among others.

  17. MESSENGER Laser Altimeter

    NASA Video Gallery

    MESSENGER's Mercury Laser Altimeter sends out laser pulses that hit the ground and return to the instrument. The amount of light that returns for each pulse gives the reflectance at that point on t...

  18. Colour-Difference Measurement Method for Evaluation of Quality of Electrolessly Deposited Copper on Polymer after Laser-Induced Selective Activation

    PubMed Central

    Gedvilas, Mindaugas; Ratautas, Karolis; Kacar, Elif; Stankevičienė, Ina; Jagminienė, Aldona; Norkus, Eugenijus; Li Pira, Nello; Račiukaitis, Gediminas

    2016-01-01

    In this work a novel colour-difference measurement method for the quality evaluation of copper deposited on a polymer is proposed. Laser-induced selective activation (LISA) was performed onto the surface of the polycarbonate/acrylonitrile butadiene styrene (PC/ABS) polymer by using nanosecond laser irradiation. The laser activated PC/ABS polymer was copper plated by using the electroless copper plating (ECP) procedure. The sheet resistance measured by using a four-point probe technique was found to decrease by the power law with the colour-difference of the sample images after LISA and ECP procedures. The percolation theory of the electrical conductivity of the insulator conductor mixture has been adopted in order to explain the experimental results. The new proposed method was used to determine an optimal set of the laser processing parameters for best plating conditions. PMID:26960432

  19. Colour-Difference Measurement Method for Evaluation of Quality of Electrolessly Deposited Copper on Polymer after Laser-Induced Selective Activation

    NASA Astrophysics Data System (ADS)

    Gedvilas, Mindaugas; Ratautas, Karolis; Kacar, Elif; Stankevičienė, Ina; Jagminienė, Aldona; Norkus, Eugenijus; Li Pira, Nello; Račiukaitis, Gediminas

    2016-03-01

    In this work a novel colour-difference measurement method for the quality evaluation of copper deposited on a polymer is proposed. Laser-induced selective activation (LISA) was performed onto the surface of the polycarbonate/acrylonitrile butadiene styrene (PC/ABS) polymer by using nanosecond laser irradiation. The laser activated PC/ABS polymer was copper plated by using the electroless copper plating (ECP) procedure. The sheet resistance measured by using a four-point probe technique was found to decrease by the power law with the colour-difference of the sample images after LISA and ECP procedures. The percolation theory of the electrical conductivity of the insulator conductor mixture has been adopted in order to explain the experimental results. The new proposed method was used to determine an optimal set of the laser processing parameters for best plating conditions.

  20. Carbon dioxide slab laser

    SciTech Connect

    Tulip, J.

    1988-01-12

    A gas slab laser is described comprising: first and second elongated electrodes each including a planar light reflecting surface disposed so as to form a light guide only in a plane perpendicular to the planar surface and to define a gas discharge gap therebetween; a laser gas disposed in the gap; and means for applying a radio frequency current between the first and second electrodes to establish a laser-exciting discharge in the laser gas.

  1. CO2 laser modeling

    NASA Technical Reports Server (NTRS)

    Johnson, Barry

    1992-01-01

    The topics covered include the following: (1) CO2 laser kinetics modeling; (2) gas lifetimes in pulsed CO2 lasers; (3) frequency chirp and laser pulse spectral analysis; (4) LAWS A' Design Study; and (5) discharge circuit components for LAWS. The appendices include LAWS Memos, computer modeling of pulsed CO2 lasers for lidar applications, discharge circuit considerations for pulsed CO2 lidars, and presentation made at the Code RC Review.

  2. Alkali-vapor lasers

    NASA Astrophysics Data System (ADS)

    Zweiback, J.; Komashko, A.; Krupke, W. F.

    2010-02-01

    We report on the results from several of our alkali laser systems. We show highly efficient performance from an alexandrite-pumped rubidium laser. Using a laser diode stack as a pump source, we demonstrate up to 145 W of average power from a CW system. We present a design for a transversely pumped demonstration system that will show all of the required laser physics for a high power system.

  3. Laser shaping of cartilage

    NASA Astrophysics Data System (ADS)

    Sobol, Emil N.; Bagratashvili, Victor N.; Omelchenko, Alexander I.; Sviridov, Alexander P.; Helidonis, Emmanuel S.; Kavvalos, George; Christodoulou, P. N.; Naoumidi, I.; Velegrakis, G.; Ovchinnikov, Yuriy M.; Shechter, A.

    1994-09-01

    The carbon dioxide laser has been used for the first time to change the cartilage's shape. After the laser irradiation the cartilage has the tendency to retain its new form. Different types of laser modified cartilage structures were studied. The inferred physical mechanism for cartilage shaping using the stresses relaxation process is presented. The clinical significance of the results for corrective laser surgery is discussed.

  4. Tunable semiconductor lasers

    NASA Technical Reports Server (NTRS)

    Taghavi-Larigani, Shervin (Inventor); Vanzyl, Jakob J. (Inventor); Yariv, Amnon (Inventor)

    2006-01-01

    Tunable semiconductor lasers are disclosed requiring minimized coupling regions. Multiple laser embodiments employ ring resonators or ring resonator pairs using only a single coupling region with the gain medium are detailed. Tuning can be performed by changing the phase of the coupling coefficient between the gain medium and a ring resonator of the laser. Another embodiment provides a tunable laser including two Mach-Zehnder interferometers in series and a reflector coupled to a gain medium.

  5. Short wavelength laser

    DOEpatents

    Hagelstein, Peter L.

    1986-01-01

    A short wavelength laser (28) is provided that is driven by conventional-laser pulses (30, 31). A multiplicity of panels (32), mounted on substrates (34), are supported in two separated and alternately staggered facing and parallel arrays disposed along an approximately linear path (42). When the panels (32) are illuminated by the conventional-laser pulses (30, 31), single pass EUV or soft x-ray laser pulses (44, 46) are produced.

  6. Laser cutting system

    SciTech Connect

    Dougherty, Thomas J

    2015-03-03

    A workpiece cutting apparatus includes a laser source, a first suction system, and a first finger configured to guide a workpiece as it moves past the laser source. The first finger includes a first end provided adjacent a point where a laser from the laser source cuts the workpiece, and the first end of the first finger includes an aperture in fluid communication with the first suction system.

  7. Laser Assisted Microsurgical Anastomosis.

    DTIC Science & Technology

    1983-09-22

    Miami School of Medicine This Paper describes new experimental microsurgical procedures that * utilize laser infrared energy emitted at 10.6 um to...dioxide laser microsurgical technique takes advantage of the very high absorption of laser energy (at 10.6 um) by water in soft tissue to effect successful...describes a new surgical technique that utilizes laser heat energy to repair transected rat sciatic nerves, and nerve grafts. The energy emitted at

  8. Explicit and Implicit Subject Bias in the "ABS Journal Quality Guide"

    ERIC Educational Resources Information Center

    Hoepner, Andreas G. F.; Unerman, Jeffrey

    2012-01-01

    This paper addresses issues raised in two recent papers published in this journal about the UK "Association of Business Schools' Journal Quality Guide (ABS Guide)". While much of the debate about journal rankings in general, and the "ABS Guide" in particular, has focused on the construction, power and (mis)use of these…

  9. Individual differences in electrophysiological responses to performance feedback predict AB magnitude.

    PubMed

    MaClean, Mary H; Arnell, Karen M

    2013-06-01

    The attentional blink (AB) is observed when report accuracy for a second target (T2) is reduced if T2 is presented within approximately 500 ms of a first target (T1), but accuracy is relatively unimpaired at longer T1-T2 separations. The AB is thought to represent a transient cost of attending to a target, and reliable individual differences have been observed in its magnitude. Some models of the AB have suggested that cognitive control contributes to production of the AB, such that greater cognitive control is associated with larger AB magnitudes. Performance-monitoring functions are thought to modulate the strength of cognitive control, and those functions are indexed by event-related potentials in response to both endogenous and exogenous performance evaluation. Here we examined whether individual differences in the amplitudes to internal and external response feedback predict individual AB magnitudes. We found that electrophysiological responses to externally provided performance feedback, measured in two different tasks, did predict individual differences in AB magnitude, such that greater feedback-related N2 amplitudes were associated with larger AB magnitudes, regardless of the valence of the feedback.

  10. Inhibition of cholera toxin and other AB toxins by polyphenolic compounds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    All AB-type protein toxins have intracellular targets despite an initial extracellular location. These toxins use different methods to reach the cytosol and have different effects on the target cell. Broad-spectrum inhibitors against AB toxins are therefore hard to develop because the toxins use dif...

  11. Photorhabdus luminescens PirAB-fusion protein exhibits both cytotoxicity and insecticidal activity.

    PubMed

    Li, Yusheng; Hu, Xiaofeng; Zhang, Xu; Liu, Zhengqiang; Ding, Xuezhi; Xia, Liqiu; Hu, Shengbiao

    2014-07-01

    The binary toxin 'Photorhabdus insect-related' proteins (PirAB) produced by Photorhabdus luminescens have been reported to possess both injectable and oral activities against a range of insects. Here, PirAB-fusion protein was constructed by linking pirA and pirB genes with the flexible linker (Gly4 Ser)3 DNA encoding sequence and then efficiently expressed in Escherichia coli. To better understand the role of PirAB toxin played in the process of invasion, its cytotoxicity against insect midgut CF-203 cells was investigated. Application of purified PirAB-fusion protein as well as PirA/PirB mixture caused loss of viability of CF-203 cells after 24 h incubation. CF-203 cells treated by PirAB-fusion protein displayed morphological changes typical of apoptosis, such as cell shrinkage, cell membrane blebbing, nuclear condensation and DNA fragmentation. Moreover, PirAB-fusion protein also exhibited injectable insecticidal activity against Spodoptera exigua larvae. The bodies of S. exigua fourth-instar larvae injected with PirAB-fusion protein turned completely black. Thus, we concluded that PirAB-fusion protein possessed similar biological activity (cytotoxicity and insecticidal activity) to PirA/PirB mixture, which would enable it to be used as an efficient agent for pest control.

  12. 17 CFR 240.17Ab2-1 - Registration of clearing agencies.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 17 Commodity and Securities Exchanges 3 2010-04-01 2010-04-01 false Registration of clearing agencies. 240.17Ab2-1 Section 240.17Ab2-1 Commodity and Securities Exchanges SECURITIES AND EXCHANGE COMMISSION (CONTINUED) GENERAL RULES AND REGULATIONS, SECURITIES EXCHANGE ACT OF 1934 Rules and...

  13. Engine with hydraulic fuel injection and ABS circuit using a single high pressure pump

    DOEpatents

    Bartley, Bradley E.; Blass, James R.; Gibson, Dennis H.

    2001-01-01

    An engine system comprises a hydraulically actuated fuel injection system and an ABS circuit connected via a fluid flow passage that provides hydraulic fluid to both the fuel injection system and to the ABS circuit. The hydraulically actuated system includes a high pressure pump. The fluid control passage is in fluid communication with an outlet from the high pressure pump.

  14. AB 1725 Human Development Resources Plan, 1989-1990. El Camino Community College District.

    ERIC Educational Resources Information Center

    El Camino Community Coll. District, Torrance, CA.

    The staff development plan presented in this paper was developed in 1989 at El Camino College (ECC) in compliance with California Assembly Bill (AB) 1725. The first sections describe how AB 1725 funding will be used to enhance staff development at the college, report the results of several needs assessment activities conducted to determine the…

  15. Therapeutic Relationship of A-B Therapists as Perceived by Client and Therapist

    ERIC Educational Resources Information Center

    Bednar, Richard L.

    1970-01-01

    Analysis of variance was employed to evaluate the therapeutic relationship offered to schizophrenic and psychoneurotic patients by A-B type therapists. Results are discussed in context of the Whitehorn-Betz original claim that the differential therapeutic success of A-B type therapists with schizophrenic and psychoneurotic clients are a function…

  16. Radiator-induced erythema ab igne in 8-year-old girl.

    PubMed

    Brzezinski, Piotr; Ismail, Samir; Chiriac, Anca

    2014-04-01

    The cutaneous lesion of erythema ab Igne are characterized by a reticulate erythema, hyperpigmentation, fine scaling, epidermal atrophy and telangiectasias, and reticulated erythema. We report a case of erythema ab igne on the hands of a 8-year-old girl, induced by classic homemade radiator.

  17. Acrylonitrile Butadiene Styrene (ABS) plastic based low cost tissue equivalent phantom for verification dosimetry in IMRT.

    PubMed

    Kumar, Rajesh; Sharma, S D; Deshpande, Sudesh; Ghadi, Yogesh; Shaiju, V S; Amols, H I; Mayya, Y S

    2009-12-17

    A novel IMRT phantom was designed and fabricated using Acrylonitrile Butadiene Styrene (ABS) plastic. Physical properties of ABS plastic related to radiation interaction and dosimetry were compared with commonly available phantom materials for dose measurements in radiotherapy. The ABS IMRT phantom has provisions to hold various types of detectors such as ion chambers, radiographic/radiochromic films, TLDs, MOSFETs, and gel dosimeters. The measurements related to pre-treatment dose verification in IMRT of carcinoma prostate were carried out using ABS and Scanditronics-Wellhoffer RW3 IMRT phantoms for five different cases. Point dose data were acquired using ionization chamber and TLD discs while Gafchromic EBT and radiographic EDR2 films were used for generating 2-D dose distributions. Treatment planning system (TPS) calculated and measured doses in ABS plastic and RW3 IMRT phantom were in agreement within +/-2%. The dose values at a point in a given patient acquired using ABS and RW3 phantoms were found comparable within 1%. Fluence maps and dose distributions of these patients generated by TPS and measured in ABS IMRT phantom were also found comparable both numerically and spatially. This study indicates that ABS plastic IMRT phantom is a tissue equivalent phantom and dosimetrically it is similar to solid/plastic water IMRT phantoms. Though this material is demonstrated for IMRT dose verification but it can be used as a tissue equivalent phantom material for other dosimetry purposes in radiotherapy.

  18. The adnAB locus, encoding a putative helicase-nuclease activity, is essential in Streptomyces.

    PubMed

    Zhang, Lingli; Nguyen, Hoang Chuong; Chipot, Ludovic; Piotrowski, Emilie; Bertrand, Claire; Thibessard, Annabelle; Leblond, Pierre

    2014-07-01

    Homologous recombination is a crucial mechanism that repairs a wide range of DNA lesions, including the most deleterious ones, double-strand breaks (DSBs). This multistep process is initiated by the resection of the broken DNA ends by a multisubunit helicase-nuclease complex exemplified by Escherichia coli RecBCD, Bacillus subtilis AddAB, and newly discovered Mycobacterium tuberculosis AdnAB. Here we show that in Streptomyces, neither recBCD nor addAB homologues could be detected. The only putative helicase-nuclease-encoding genes identified were homologous to M. tuberculosis adnAB genes. These genes are conserved as a single copy in all sequenced genomes of Streptomyces. The disruption of adnAB in Streptomyces ambofaciens and Streptomyces coelicolor could not be achieved unless an ectopic copy was provided, indicating that adnAB is essential for growth. Both adnA and adnB genes were shown to be inducible in response to DNA damage (mitomycin C) and to be independently transcribed. Introduction of S. ambofaciens adnAB genes in an E. coli recB mutant restored viability and resistance to UV light, suggesting that Streptomyces AdnAB could be a functional homologue of RecBCD and be involved in DNA damage resistance.

  19. Laser Detection of Pollution.

    ERIC Educational Resources Information Center

    Patel, C. K. N.

    1978-01-01

    Discusses the use of laser spectroscopy in determining the presence of specific gaseous constituents. Three of currently used modes for laser detection of pollution are reviewed; (1) long-path measurements; (2) laser raman (differential absorption) measurements; and (3) optoacoustic detection. (HM)

  20. Laser bottom hole assembly

    SciTech Connect

    Underwood, Lance D; Norton, Ryan J; McKay, Ryan P; Mesnard, David R; Fraze, Jason D; Zediker, Mark S; Faircloth, Brian O

    2014-01-14

    There is provided for laser bottom hole assembly for providing a high power laser beam having greater than 5 kW of power for a laser mechanical drilling process to advance a borehole. This assembly utilizes a reverse Moineau motor type power section and provides a self-regulating system that addresses fluid flows relating to motive force, cooling and removal of cuttings.

  1. Velocimetry with diode lasers

    NASA Astrophysics Data System (ADS)

    de Mul, F. F. M.; Jentink, H. W.; Koelink, M.; Greve, J.; Aarnoudse, J. G.

    The history of the application of diode lasers in velocimetry is reviewed. Some problems arising when using those lasers, e.g., mode hopping and wavelength shifts caused by temperature effects, are discussed, together with coherence effects encountered with diode lasers. The application in dual-beam velocimetry, in direct-contact velocimetry and in velocimetry using self-mixing will be discussed.

  2. Argon laser for otosclerosis

    NASA Astrophysics Data System (ADS)

    Michalski, Wojciech; Pospiech, Lucyna; Jankowska-Kuc, Malgorzata

    1995-03-01

    Up to now, among different kinds of lasers an argon laser is mostly used for otosclerosis. Exposure conditions at use of the laser beam are still not well defined. In order to achieve the optimum conditions a series of experiments has been made. Obtained results are presented in this paper.

  3. Laser power transmission

    NASA Technical Reports Server (NTRS)

    Conway, Edmund J.

    1992-01-01

    An overview of previous studies related to laser power transmission is presented. Particular attention is given to the use of solar pumped lasers for space power applications. Three general laser mechanisms are addressed: photodissociation lasing driven by sunlight, photoexcitation lasing driven directly by sunlight, and photoexcitation lasing driven by thermal radiation.

  4. LaserFest Celebration

    SciTech Connect

    Dr. Alan Chodos; Elizabeth A. Rogan

    2011-08-25

    LaserFest was the yearlong celebration, during 2010, of the 50th anniversary of the demonstration of the first working laser. The goals of LaserFest were: to highlight the impact of the laser in its manifold commercial, industrial and medical applications, and as a tool for ongoing scientific research; to use the laser as one example that illustrates, more generally, the route from scientific innovation to technological application; to use the laser as a vehicle for outreach, to stimulate interest among students and the public in aspects of physical science; to recognize and honor the pioneers who developed the laser and its many applications; to increase awareness among policymakers of the importance of R&D funding as evidenced by such technology as lasers. One way in which LaserFest sought to meet its goals was to encourage relevant activities at a local level all across the country -- and also abroad -- that would be identified with the larger purposes of the celebration and would carry the LaserFest name. Organizers were encouraged to record and advertise these events through a continually updated web-based calendar. Four projects were explicitly detailed in the proposals: 1) LaserFest on the Road; 2) Videos; 3) Educational material; and 4) Laser Days.

  5. Laser Fundamentals and Experiments.

    ERIC Educational Resources Information Center

    Van Pelt, W. F.; And Others

    As a result of work performed at the Southwestern Radiological Health Laboratory with respect to lasers, this manual was prepared in response to the increasing use of lasers in high schools and colleges. It is directed primarily toward the high school instructor who may use the text for a short course in laser fundamentals. The definition of the…

  6. Infrared diode laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Civiš, S.; Cihelka, J.; Matulková, I.

    2010-12-01

    Three types of lasers (double-heterostructure 66 K InAsSb/InAsSbP laser diode, room temperature, multi quantum wells with distributed feedback (MQW with DFB) (GaInAsSb/AlGaAsSb based) diode laser and vertical cavity surface emitting lasers (VCSELs) (GaSb based) have been characterized using Fourier transform emission spectroscopy and compared. The photoacoustic technique was employed to determine the detection limit of formaldehyde (less than 1 ppmV) for the strongest absorption line of the v3 + v5 band in the emission region of the GaInAsSb/AlGaAsSb diode laser. The detection limit (less than 10 ppbV) of formaldehyde was achieved in the 2820 cm-1 spectral range in case of InAsSb/InAsSbP laser (fundamental bands of v1, v5). Laser sensitive detection (laser absorption together with high resolution Fourier transform infrared technique including direct laser linewidth measurement, infrared photoacoustic detection of neutral molecules (methane, form-aldehyde) is discussed. Additionally, very sensitive laser absorption techniques of such velocity modulation are discussed for case of laser application in laboratory research of molecular ions. Such sensitive techniques (originally developed for lasers) contributed very much in identifying laboratory microwave spectra of a series of anions (C6H-, C4H-, C2H-, CN-) and their discovery in the interstellar space (C6H-, C4H-).

  7. Laser Programs Highlights 1998

    SciTech Connect

    Lowdermilk, H.; Cassady, C.

    1999-12-01

    This report covers the following topics: Commentary; Laser Programs; Inertial Confinement Fusion/National Ignition Facility (ICF/NIF); Atomic Vapor Laser Isotope Separation (AVLIS); Laser Science and Technology (LS&T); Information Science and Technology Program (IS&T); Strategic Materials Applications Program (SMAP); Medical Technology Program (MTP) and Awards.

  8. Lasers for nonlinear microscopy.

    PubMed

    Wise, Frank

    2013-03-01

    Various versions of nonlinear microscopy are revolutionizing the life sciences, almost all of which are made possible because of the development of ultrafast lasers. In this article, the main properties and technical features of short-pulse lasers used in nonlinear microscopy are summarized. Recent research results on fiber lasers that will impact future instruments are also discussed.

  9. Polarization feedback laser stabilization

    DOEpatents

    Esherick, Peter; Owyoung, Adelbert

    1988-01-01

    A system for locking two Nd:YAG laser oscillators includes an optical path for feeding the output of one laser into the other with different polarizations. Elliptical polarization is incorporated into the optical path so that the change in polarization that occurs when the frequencies coincide may be detected to provide a feedback signal to control one laser relative to the other.

  10. Zeeman laser gyroscopes

    SciTech Connect

    Azarova, V V; Golyaev, Yu D; Saveliev, I I

    2015-02-28

    The history of invention and development of Zeeman laser gyroscopes, specific features of their optical scheme and operation principle are described. The construction and element base of modern laser angular velocity sensors with Zeeman-based frequency biasing are considered. The problems and prospects of their development are discussed. (laser gyroscopes)

  11. Excimer Lasers In Medicine

    NASA Astrophysics Data System (ADS)

    Tittel, Frank K.; Saidi, Iyad S.; Pettit, George H.; Wisoff, P. J.; Sauerbrey, Roland A.

    1989-06-01

    Excimer lasers emit light energy, short optical pulses at ultraviolet wavelengths, that results in a unique laser tissue interaction. This has led to an increasing number of studies into medical applications of these lasers in fields such as ophthalmology, urology, cardiology and neurology.

  12. Solar pumped laser

    NASA Technical Reports Server (NTRS)

    Lee, J. H.; Hohl, F.; Weaver, W. R. (Inventor)

    1984-01-01

    A solar pumped laser is described in which the lasant is a gas that will photodissociate and lase when subjected to sunrays. Sunrays are collected and directed onto the gas lasant to cause it to lase. Applications to laser propulsion and laser power transmission are discussed.

  13. Laser material processing system

    DOEpatents

    Dantus, Marcos

    2015-04-28

    A laser material processing system and method are provided. A further aspect of the present invention employs a laser for micromachining. In another aspect of the present invention, the system uses a hollow waveguide. In another aspect of the present invention, a laser beam pulse is given broad bandwidth for workpiece modification.

  14. Diode laser and endoscopic laser surgery.

    PubMed

    Sullins, Kenneth E

    2002-05-01

    Two functionally important differences exist between the diode laser and the carbon dioxide (CO2) laser (used more commonly in small animal surgery). Diode laser energy is delivered through a quartz fiber instead of being reflected through an articulated arm or waveguide. Quartz fibers are generally more flexible and resilient than waveguides and can be inserted through an endoscope for minimally invasive procedures. Laser-tissue interaction is the other significant difference. The CO2 laser is completely absorbed by water, which limits the effect to visible tissue. The diode wavelength is minimally absorbed by water and may affect tissue as deep as 10 mm below the surface in the free-beam mode. With proper respect for the tissue effect, these differences can be used to the advantage of the patient.

  15. Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

    NASA Technical Reports Server (NTRS)

    Good, Brian S.

    2003-01-01

    We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

  16. The Clostridium botulinum GerAB germination protein is located in the inner membrane of spores.

    PubMed

    Alberto, François; Botella, Lucien; Carlin, Fréderic; Nguyen-The, Christophe; Broussolle, Véronique

    2005-12-15

    Clostridium botulinum dormant spores germinate in presence of l-alanine via a specific receptor composed of GerAA, GerAB and GerAC proteins. In Bacillus subtilis spores, GerAA and GerAC proteins were located in the inner membrane of the spore. We studied the location of the GerAB protein in C. botulinum spore fractions by Western-blot analysis, using an antipeptidic antibody. The protein GerAB was in vitro translated and used to confirm the specificity of the antibodies. GerAB was not present in a coat and spore outer membrane fraction but was present in a fraction of decoated spores containing inner membrane. These results strongly suggest that the protein GerAB is located in the inner membrane of the spore.

  17. (abstract) Studies on AB(sub 5) Metal Hydride Alloys with Sn Additives

    NASA Technical Reports Server (NTRS)

    Ratnakumar, B. V.; Surampudi, S.; Stefano, S. Di; Halpert, G.; Witham, C.; Fultz, B.

    1994-01-01

    The use of metal hydrides as negative electrodes in alkaline rechargeable cells is becoming increasingly popular, due to several advantages offered by the metal hydrides over conventional anode materials (such as Zn, Cd) in terms of specific energy environmental cycle life and compatibility. Besides, the similarities in the cell voltage pressure characteristics, and charge control methods of the Ni-MH cells to the commonly used Ni-Cd point to a projected take over of 25% of the Ni-Cd market for consumer electronics by the Ni-MH cells in the next couple of years. Two classes of metal hydrides alloys based on rare earth metals (AB(sub 5)) and titanium (AB(sub 2)) are being currently developed at various laboratories. AB(sub 2) alloys exhibit higher specific energy than the AB(sub 5) alloys but the state of the art commercial Ni-MH cells are predominately manufactured using AB(sub 5) alloys.

  18. Ab initio centroid path integral molecular dynamics: Application to vibrational dynamics of diatomic molecular systems

    NASA Astrophysics Data System (ADS)

    Ohta, Yasuhito; Ohta, Koji; Kinugawa, Kenichi

    2004-01-01

    An ab initio centroid molecular dynamics (CMD) method is developed by combining the CMD method with the ab initio molecular orbital method. The ab initio CMD method is applied to vibrational dynamics of diatomic molecules, H2 and HF. For the H2 molecule, the temperature dependence of the peak frequency of the vibrational spectral density is investigated. The results are compared with those obtained by the ab initio classical molecular dynamics method and exact quantum mechanical treatment. It is shown that the vibrational frequency obtained from the ab initio CMD approaches the exact first excitation frequency as the temperature lowers. For the HF molecule, the position autocorrelation function is also analyzed in detail. The present CMD method is shown to well reproduce the exact quantum result for the information on the vibrational properties of the system.

  19. Staphylococcus aureus Biofilms Induce Macrophage Dysfunction Through Leukocidin AB and Alpha-Toxin

    PubMed Central

    Scherr, Tyler D.; Hanke, Mark L.; Huang, Ouwen; James, David B. A.; Horswill, Alexander R.; Bayles, Kenneth W.; Fey, Paul D.; Torres, Victor J.

    2015-01-01

    ABSTRACT The macrophage response to planktonic Staphylococcus aureus involves the induction of proinflammatory microbicidal activity. However, S. aureus biofilms can interfere with these responses in part by polarizing macrophages toward an anti-inflammatory profibrotic phenotype. Here we demonstrate that conditioned medium from mature S. aureus biofilms inhibited macrophage phagocytosis and induced cytotoxicity, suggesting the involvement of a secreted factor(s). Iterative testing found the active factor(s) to be proteinaceous and partially agr-dependent. Quantitative mass spectrometry identified alpha-toxin (Hla) and leukocidin AB (LukAB) as critical molecules secreted by S. aureus biofilms that inhibit murine macrophage phagocytosis and promote cytotoxicity. A role for Hla and LukAB was confirmed by using hla and lukAB mutants, and synergy between the two toxins was demonstrated with a lukAB hla double mutant and verified by complementation. Independent confirmation of the effects of Hla and LukAB on macrophage dysfunction was demonstrated by using an isogenic strain in which Hla was constitutively expressed, an Hla antibody to block toxin activity, and purified LukAB peptide. The importance of Hla and LukAB during S. aureus biofilm formation in vivo was assessed by using a murine orthopedic implant biofilm infection model in which the lukAB hla double mutant displayed significantly lower bacterial burdens and more macrophage infiltrates than each single mutant. Collectively, these findings reveal a critical synergistic role for Hla and LukAB in promoting macrophage dysfunction and facilitating S. aureus biofilm development in vivo. PMID:26307164

  20. Ab initio calculation of the potential bubble nucleus 34Si

    NASA Astrophysics Data System (ADS)

    Duguet, T.; Somà, V.; Lecluse, S.; Barbieri, C.; Navrátil, P.

    2017-03-01

    Background: The possibility that an unconventional depletion (referred to as a "bubble") occurs in the center of the charge density distribution of certain nuclei due to a purely quantum mechanical effect has attracted theoretical and experimental attention in recent years. Based on a mean-field rationale, a correlation between the occurrence of such a semibubble and an anomalously weak splitting between low angular-momentum spin-orbit partners has been further conjectured. Energy density functional and valence-space shell model calculations have been performed to identify and characterize the best candidates, among which 34Si appears as a particularly interesting case. While the experimental determination of the charge density distribution of the unstable 34Si is currently out of reach, (d ,p ) experiments on this nucleus have been performed recently to test the correlation between the presence of a bubble and an anomalously weak 1 /2--3 /2- splitting in the spectrum of 35Si as compared to 37S. Purpose: We study the potential bubble structure of 34Si on the basis of the state-of-the-art ab initio self-consistent Green's function many-body method. Methods: We perform the first ab initio calculations of 34Si and 36S. In addition to binding energies, the first observables of interest are the charge density distribution and the charge root-mean-square radius for which experimental data exist in 36S. The next observable of interest is the low-lying spectroscopy of 35Si and 37S obtained from (d ,p ) experiments along with the spectroscopy of 33Al and 35P obtained from knock-out experiments. The interpretation in terms of the evolution of the underlying shell structure is also provided. The study is repeated using several chiral effective field theory Hamiltonians as a way to test the robustness of the results with respect to input internucleon interactions. The convergence of the results with respect to the truncation of the many-body expansion, i.e., with respect to

  1. A disk wind in AB Aurigae traced with Hα interferometry

    NASA Astrophysics Data System (ADS)

    Perraut, K.; Dougados, C.; Lima, G. H. R. A.; Benisty, M.; Mourard, D.; Ligi, R.; Nardetto, N.; Tallon-Bosc, I.; ten Brummelaar, T.; Farrington, C.

    2016-11-01

    Context. A crucial issue in star formation is understanding the physical mechanism by which mass is accreted onto and ejected by a young star, then collimated into jets. Hydrogen lines are often used to trace mass accretion in young stars, but recent observations suggest that they could instead trace mass outflow in a disk wind. Aims: Obtaining direct constraints on the HI line formation regions is crucial in order to disentangle the different models. We present high angular and spectral resolution observations of the Hα line of the Herbig Ae star AB Aur to probe the origin of this line at sub-AU scales, and to place constraints on the geometry of the emitting region. Methods: We use the visible spectrograph VEGA at the CHARA long-baseline optical array to resolve the AB Aur circumstellar environment from spectrally resolved interferometric measurements across the Hα emission line. We developed a 2D radiative transfer model to fit the emission line profile and the spectro-interferometric observables. The model includes the combination of a Blandford & Payne magneto-centrifugal disk wind and a magnetospheric accretion flow. Results: We measure a visibility decrease within the Hα line, indicating that we clearly resolve the Hα formation region. We derive a Gaussian half width at half maximum between 0.05 and 0.15 AU in the core of the line, which indicates that the bulk of the Hα emission has a size scale intermediate between the disk inner truncation radius and the dusty disk inner rim. A clear asymmetric differential phase signal is found with a minimum of -30° ± 15° towards the core of the line. We show that these observations are in general agreement with predictions from a magneto-centrifugal disk wind arising from the innermost regions of the disk. Better agreement, in particular with the differential phases, is found when a compact magnetospheric accretion flow is included. Conclusions: We resolve the Hα formation region in a young accreting

  2. Protons in polar media: An ab initio molecular dynamics study

    NASA Astrophysics Data System (ADS)

    von Rosenvinge, Tycho

    1998-10-01

    The hydrates of hydrogen chloride are ionic crystals that contain hydronium (H3O+). The hydronium in the monohydrate has been reported to be statistically disordered between two possible sites related by inversion symmetry. Ab initio molecular dynamics calculations are presented for the monohydrate, as well as the di-, and tri-hydrates, of hydrogen chloride using the density functional based Car-Parrinello technique. The simulations were carried out with the goal of investigating proton disorder in these crystals. The possible role of nuclear quantum effects has been explored via path integral molecular dynamic simulations. The present results suggest that the proposed disordered sites in the monohydrate are dynamically unstable and therefore unlikely to be responsible for the reported disorder. No useful information was obtained for the dihydrate because the large unit cell leads to difficulties in carrying out the simulations. Nuclear quantum effects are shown to be important for characterizing the proton distributions in the trihydrate. The structure and dynamical behavior of liquid HF with dissolved KF have been investigated using the Car- Parrinello ab initio molecular dynamics scheme. Specifically, a system with stoichiometry KFċ2HF was studied at temperatures of 400K and 1000K. This system, which was started from a phase separated mixture, rapidly formed into solvated potassium ions and HnFn+1/sp- polyfluoride anions with n = 1, 2, 3, and 4. The resulting polyfluoride anions were classified, and their structures and dynamical behavior were compared with the known structures and spectra of crystalline compounds KF/cdot xHF and with theoretical predictions of isolated gas phase species. The present study reveals dramatic frequency shifts in the H atom vibrational modes with variation in the HF coordination number of the polyfluoride anion. In particular the FH wagging motion red shifts while the FH stretch blue shifts as n increases. The present calculations

  3. Chalcogenide glass microsphere laser.

    PubMed

    Elliott, Gregor R; Murugan, G Senthil; Wilkinson, James S; Zervas, Michalis N; Hewak, Daniel W

    2010-12-06

    Laser action has been demonstrated in chalcogenide glass microsphere. A sub millimeter neodymium-doped gallium lanthanum sulphide glass sphere was pumped at 808 nm with a laser diode and single and multimode laser action demonstrated at wavelengths between 1075 and 1086 nm. The gallium lanthanum sulphide family of glass offer higher thermal stability compared to other chalcogenide glasses, and this, along with an optimized Q-factor for the microcavity allowed laser action to be achieved. When varying the pump power, changes in the output spectrum suggest nonlinear and/or thermal effects have a strong effect on laser action.

  4. Dual Wavelength Lasers

    NASA Technical Reports Server (NTRS)

    Walsh, Brian M.

    2010-01-01

    Dual wavelength lasers are discussed, covering fundamental aspects on the spectroscopy and laser dynamics of these systems. Results on Tm:Ho:Er:YAG dual wavelength laser action (Ho at 2.1 m and Er at 2.9 m) as well as Nd:YAG (1.06 and 1.3 m) are presented as examples of such dual wavelength systems. Dual wavelength lasers are not common, but there are criteria that govern their behavior. Based on experimental studies demonstrating simultaneous dual wavelength lasing, some general conclusions regarding the successful operation of multi-wavelength lasers can be made.

  5. Laser Diode Ignition (LDI)

    NASA Technical Reports Server (NTRS)

    Kass, William J.; Andrews, Larry A.; Boney, Craig M.; Chow, Weng W.; Clements, James W.; Merson, John A.; Salas, F. Jim; Williams, Randy J.; Hinkle, Lane R.

    1994-01-01

    This paper reviews the status of the Laser Diode Ignition (LDI) program at Sandia National Labs. One watt laser diodes have been characterized for use with a single explosive actuator. Extensive measurements of the effect of electrostatic discharge (ESD) pulses on the laser diode optical output have been made. Characterization of optical fiber and connectors over temperature has been done. Multiple laser diodes have been packaged to ignite multiple explosive devices and an eight element laser diode array has been recently tested by igniting eight explosive devices at predetermined 100 ms intervals.

  6. X-ray laser

    DOEpatents

    Nilsen, Joseph

    1991-01-01

    An X-ray laser (10) that lases between the K edges of carbon and oxygen, i.e. between 44 and 23 Angstroms, is provided. The laser comprises a silicon (12) and dysprosium (14) foil combination (16) that is driven by two beams (18, 20) of intense line focused (22, 24) optical laser radiation. Ground state nickel-like dysprosium ions (34) are resonantly photo-pumped to their upper X-ray laser state by line emission from hydrogen-like silicon ions (32). The novel X-ray laser should prove especially useful for the microscopy of biological specimens.

  7. Laser assisted deposition

    NASA Technical Reports Server (NTRS)

    Dutta, S.

    1983-01-01

    Applications of laser-based processing techniques to solar cell metallization are discussed. Laser-assisted thermal or photolytic maskless deposition from organometallic vapors or solutions may provide a viable alternative to photovoltaic metallization systems currently in use. High power, defocused excimer lasers may be used in conjunction with masks as an alternative to direct laser writing to provide higher throughput. Repeated pulsing with excimer lasers may eliminate the need for secondary plating techniques for metal film buildup. A comparison between the thermal and photochemical deposition processes is made.

  8. Stabilized Zeeman split laser

    NASA Technical Reports Server (NTRS)

    1981-01-01

    The development of a stablized Zeeman split laser for use in a polarization profilometer is discussed. A Hewlett-Packard laser was modified to stabilize the Zeeman split beat frequency thereby increasing the phase measurement accuracy from the Hewlett-Packard 3 degrees to an accuracy of .01 degrees. The addition of a two layered inductive winding converts the laser to a current controlled oscillator whose frequency is linearly related to coil current. This linear relationship between coil current and laser frequency permits phase locking the laser frequency to a stable crystal controlled reference frequency. The stability of the system is examined and the equipment operation procedures are outlined.

  9. Analysis of the x-ray spectrum emitted by laser-produced plasma of dysprosium

    SciTech Connect

    Marcus, Gilad; Louzon, Einat; Henis, Zohar; Maman, Shlomo; Mandelbaum, Pinchas

    2007-05-15

    A detailed analysis of the x-ray spectrum (5-10.2 A ring ) emitted by laser-produced plasma of dysprosium (Dy) is given using ab initio calculations with the HULLAC relativistic code and isoelectronic trends. Resonance 3d-4p, 3d-nf (n=4 to 7), 3p-4s, and 3p-4d transitions of Ni I-like Dy XXXIX and neighboring ion satellite transitions (from Dy XXXIV to Dy XL) are identified.

  10. Intracavity Laser Absorption Spectroscopy of Platinum Nitride in the Near Infrared

    NASA Astrophysics Data System (ADS)

    O'Brien, Leah C.; Womack, Kaitlin A.; O'Brien, James J.; Whittemore, Sean

    2013-06-01

    The (2,0) band of the A^{2}Σ^{-} - X^{2}Π_{1/2} electronic transition of PtN has been recorded using intracavity laser absorption spectroscopy. Transitions from ^{194}PtN, ^{195}PtN, and ^{196}PtN isotopologues are observed, as well as the nuclear hyperfine splitting due to ^{195}Pt with I=1/2. The results of the analysis will be presented and compared with ab initio calculations.

  11. XUV spectral analysis of ns- and ps-laser produced platinum plasmas

    NASA Astrophysics Data System (ADS)

    Wu, Tao; Higashiguchi, Takeshi; Li, Bowen; Suzuki, Yuhei; Arai, Goki; Dinh, Thanh-Hung; Dunne, Padraig; O'Reilly, Fergal; Sokell, Emma; O'Sullivan, Gerry

    2015-12-01

    XUV spectra of ns- and ps-laser produced platinum (Pt) plasmas in the 1-7 nm wavelength region, where Δn = 1 n = 4-5 and Δn = 0 n = 4-4 transitions dominate the observed emission, were investigated experimentally and theoretically. Ab initio calculations using the Hartree-Fock with configuration interaction (HFCI) Cowan suite of codes and the unresolved transition array (UTA) formalism, as well as consideration of previous predictions of isoelectronic trends, together with spectra obtained under different laser power densities are all employed to identify lines and a number of new features in spectra from Pt XX to Pt XLII. The possible reasons for the main differences between the ns- and ps-laser plasmas spectra are also demonstrated. This work extends previous analyses of the XUV spectra of laser produced gold, tungsten, tantalum, hafnium and rhenium plasmas in the 1-7 nm wavelength range.

  12. Lasers in otorhinolaryngology

    NASA Astrophysics Data System (ADS)

    Pais Clemente, Manuel P.

    1992-03-01

    Lasers are now commonly accepted and widely used surgical instruments in otorhinolaryngology. There have been a great number of technological advances with lasers that have contributed to the expansion of this new surgical modality with an increased number of medical applications. Surgical strategies have also changed and are more favorable toward conservative surgery in which less tissues is removed than with more radical resections. This combination of improving technology and medical attitudes has changed the field of otorhinolaryngology, and resulted in an expanding use of laser surgery. Since 1973 we have been using the carbon dioxide laser in the treatment of diseases of the upper aero digestive systems, learning this new surgical technique from the pioneer work of Strong, Jako, and Vaughan. It is our conviction that a laser surgeon must have a thorough knowledge of laser biophysics, instrumentation, safety protocols, and surgical indications, and have the technical skills to perform laser surgery. Laser technology continues to improve at an increased speed, and it is imperative to update knowledge of current and potential applications of lasers in our specialty. It is the purpose of this article to present our clinical experience of 18 years with the use of lasers in surgery of ORL, emphasizing the carbon dioxide laser.

  13. Laser surgery: using the carbon dioxide laser.

    PubMed Central

    Wright, V. C.

    1982-01-01

    In 1917 Einstein theorized tha through an atomic process a unique kind of electromagnetic radiation could be produced by stimulated emission. When such radiation is in the optical or infrared spectrum it is termed laser (light amplification by stimulated emission of radiation) light. A laser, a high-intensity light source, emits a nearly parallel electromagnetic beam of energy at a given wavelength that can be captured by a lens and concentrated in the focal spot. The wavelength determines how the laser will be used. The carbon dioxide laser is now successfully employed for some surgical procedures in gynecology, otorhinolaryngology, neurosurgery, and plastic and general surgery. The CO2 laser beam is directed through the viewing system of an operating microscope or through a hand-held laser component. Its basic action in tissue is thermal vaporization; it causes minimal damage to adjacent tissues. Surgeons require special training in the basic methods and techniques of laser surgery, as well as in the safety standards that must be observed. Images FIG. 5 PMID:7074503

  14. Laser Synchrotron Source (LSS)

    NASA Astrophysics Data System (ADS)

    Sprangle, Philip; Ting, Antonio; Esarey, Eric; Fisher, Amon; Mourou, Gerald

    1993-02-01

    The Laser Synchrotron Source (LSS) utilizes a high peak power or high average power laser to generate within a vacuum chamber a laser beam travelling in one direction to interact with an electron beam traveling in an opposite direction in order to generate high-power x-rays. A ring resonator formed by a plurality of mirrors directs the laser beam in a closed loop to impact with the electron beam to produce x-rays. Concave mirrors in the ring resonator focus the laser beam upon the point where the laser beam interacts with the electron beam to intensify the laser energy at that point. When a Radio Frequency Linear Accelerator (RF linac) is used to produce the electron beam, x-rays having a short pulse length are generated. When a betatron is used as an electron source, x-rays having a long pulse length are generated.

  15. Laser safety in dentistry

    NASA Astrophysics Data System (ADS)

    Wigdor, Harvey A.

    1997-05-01

    One of the major causes of anxiety in the dental clinic is the dental handpiece. Because dentists wish to provide a method which can replace the drill there has often been a premature use of the laser in dentistry. Various lasers have been introduced into the clinic before research has shown the laser used is of clinical benefit. Any new treatment method must not compromise the health of the patient being treated. Thus a method of evaluating the clinical abilities of dentists and their understanding the limitations of the laser used must be developed. Dentist must be trained in the basic interaction of the laser on oral tissues. The training has to concentrate on the variation of the laser wavelength absorption in the different tissues of the oral cavity. Because of the differences in the optical properties of these tissues great care must be exercised by practitioners using lasers on patients.

  16. Laser Applications in Orthodontics

    PubMed Central

    Heidari, Somayeh; Torkan, Sepideh

    2013-01-01

    A laser is a collimated single wavelength of light which delivers a concentrated source of energy. Soon after different types of lasers were invented, investigators began to examine the effects of different wavelengths of laser energy on oral tissues, routine dental procedures and experimental applications. Orthodontists, along with other specialist in different fields of dentistry, can now benefit from several different advantages that lasers provide during the treatment process, from the beginning of the treatment, when separators are placed, to the time of resin residues removal from the tooth surface at the end of orthodontic treatment. This article outlines some of the most common usages of laser beam in orthodontics and also provides a comparison between laser and other conventional method that were the standard of care prior to the advent of laser in this field. PMID:25606324

  17. Lasers in orthodontics

    PubMed Central

    Nalcaci, Ruhi; Cokakoglu, Serpil

    2013-01-01

    Many types of dental lasers are currently available that can be efficiently used for soft and hard tissue applications in the field of orthodontics. For achieving the desired effects in the target tissue, knowledge of laser characteristics such as power, wavelength and timing, is necessary. Laser therapy is advantageous because it often avoids bleeding, can be pain free, is non-invasive and is relatively quick. The high cost is its primary disadvantage. It is very important to take the necessary precautions to prevent possible tissue damage when using laser dental systems. Here, we reviewed the main types and characteristics of laser systems used in dental practice and discuss the applications of lasers in orthodontics, harmful effects and laser system safety. PMID:24966719

  18. Raman fiber lasers

    NASA Astrophysics Data System (ADS)

    Supradeepa, V. R.; Feng, Yan; Nicholson, Jeffrey W.

    2017-02-01

    High-power fiber lasers have seen tremendous development in the last decade, with output powers exceeding multiple kilowatts from a single fiber. Ytterbium has been at the forefront as the primary rare-earth-doped gain medium owing to its inherent material advantages. However, for this reason, the lasers are largely confined to the narrow emission wavelength region of ytterbium. Power scaling at other wavelength regions has lagged significantly, and a large number of applications rely upon the diversity of emission wavelengths. Currently, Raman fiber lasers are the only known wavelength agile, scalable, high-power fiber laser technology that can span the wavelength spectrum. In this review, we address the technology of Raman fiber lasers, specifically focused on the most recent developments. We will also discuss several applications of Raman fiber lasers in laser pumping, frequency conversion, optical communications and biology.

  19. Lasers in periodontology.

    PubMed

    Mavrogiannis, M; Thomason, J M; Seymour, R A

    2004-11-01

    Since the development of the ruby laser by Maiman in 1960, lasers have been widely employed in medicine for a number of years. The purpose of this paper is to summarize potential applications for lasers in dentistry, with special regard to periodontology. This article briefly describes clinical applications of lasers and laser safety. Particularly, the use of a diode laser seems to be promising, especially in already compromised transplant patients, who need to be treated with a technique where the operative and post-operative blood loss, post-operative discomfort and the recurrence of drug-induced gingival overgrowth need to be kept to a minimum or eliminated. Therefore, the use of lasers in periodontology may lead to an alteration in present clinical practice and help to establish the best management strategy because, by maintaining periodontal health, the life quality of patients can be improved.

  20. Lasers in dentistry

    NASA Astrophysics Data System (ADS)

    Keller, Ulrich

    1991-11-01

    The infrared-laser systems like the Er:YAG, the cw CO2, the Nd:YAG, and the UV- excimer lasers are being investigated for preparing tooth-hard substances. The infrared lasers cause thermal damage to the enamel, the dentin, and the pulp with the exception of the Er:YAG laser. No thermal damage occurs using the Er:YAG laser under practical conditions because of the special thermomechanical ablation process. The ablation rates of the UV- excimer lasers are to low for practical use. Enhancing the ablation efficiency by high- repetition rates causes thermal side effects to occur. Therefore, only the Er:YAG laser has the potential to partially replace the mechanical drill.