Atomistic-continuum modeling of ultrafast laser-induced melting of silicon targets

In this work, we present an atomistic-continuum model for simulations of ultrafast laser-induced melting processes in semiconductors on the example of silicon. The kinetics of transient non-equilibrium phase transition mechanisms is addressed with MD method on the atomic level, whereas the laser light absorption, strong generated electron-phonon nonequilibrium, fast heat conduction, and photo-excited free carrier diffusion are accounted for with a continuum TTM-like model (called nTTM). First, we independently consider the applications of nTTM and MD for the description of silicon, and then construct the combined MD-nTTM model. Its development and thorough testing is followed by a comprehensive computational study of fast nonequilibrium processes induced in silicon by an ultrashort laser irradiation. The new model allowed to investigate the effect of laser-induced pressure and temperature of the lattice on the melting kinetics. Two competing melting mechanisms, heterogeneous and homogeneous, were identified in our big-scale simulations. Apart from the classical heterogeneous melting mechanism, the nucleation of the liquid phase homogeneously inside the material significantly contributes to the melting process. The simulations showed, that due to the open diamond structure of the crystal, the laser-generated internal compressive stresses reduce the crystal stability against the homogeneous melting. Consequently, the latter can take a massive character within several picoseconds upon the laser heating. Due to the large negative volume of melting of silicon, the material contracts upon the phase transition, relaxes the compressive stresses, and the subsequent melting proceeds heterogeneously until the excess of thermal energy is consumed. A series of simulations for a range of absorbed fluences allowed us to find the threshold fluence value at which homogeneous liquid nucleation starts contributing to the classical heterogeneous propagation of the solid-liquid interface. A series of simulations for a range of the material thicknesses showed that the sample width we chosen in our simulations (800 nm) corresponds to a thick sample. Additionally, in order to support the main conclusions, the results were verified for a different interatomic potential. Possible improvements of the model to account for nonthermal effects are discussed and certain restrictions on the suitable interatomic potentials are found. As a first step towards the inclusion of these effects into MD-nTTM, we performed nanometer-scale MD simulations with a new interatomic potential, designed to reproduce ab initio calculations at the laser-induced electronic temperature of 18946 K. The simulations demonstrated that, similarly to thermal melting, nonthermal phase transition occurs through nucleation. A series of simulations showed that higher (lower) initial pressure reinforces (hinders) the creation and the growth of nonthermal liquid nuclei. For the example of Si, the laser melting kinetics of semiconductors was found to be noticeably different from that of metals with a face-centered cubic crystal structure. The results of this study, therefore, have important implications for interpretation of experimental data on the kinetics of melting process of semiconductors.

Enhanced multiwavelength holographic profilometry by laser mode selection

A method for improving the accuracy of surface shape measurement by multiwavelength holography is presented. In our holographic setup, a Bi12TiO20 photorefractive crystal was the holographic recording medium, and a multimode diode laser emitting in the red region was the light source in a two-wave mixing scheme. on employing such lasers the resulting holographic image appears covered with interference fringes corresponding to the object relief, and the interferogram spatial frequency is proportional to the diode laser's free spectral range (FSR). Our method consists in increasing the effective free spectral range of the laser by positioning a Fabry-Perot etalon at the laser output for mode selection. As larger effective values of the laser FSR were achieved, higher-spatial-frequency interferograms were obtained and therefore more sensitive and accurate measurements were performed. The quantitative evaluation of the interferograms was made through the phase-stepping technique, and the phase map unwrapping was carried out through the cellular-automata method. For a given surface, shape measurements with different interferogram spatial frequencies were performed and compared with respect to measurement noise and visual inspection. (c) 2007 Society of Photo-Optical Instrumentation Engineers.

Measurement of low-derivative surface lenses by two-laser holography with Bi12TiO20 crystals

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

cDNA cloning and 1.75 Å crystal structure determination of PPL2, an endochitinase and N-acetylglucosamine-binding hemagglutinin from Parkia platycephala seeds

Parkia platycephala lectin 2 was purified from Parkia platycephala (Leguminosae, Mimosoideae) seeds by affinity chromatography and RP-HPLC. Equilibrium sedimentation and MS showed that Parkia platycephala lectin 2 is a nonglycosylated monomeric protein of molecular mass 29 407 ± 15 Da, which contains six cysteine residues engaged in the formation of three intramolecular disulfide bonds. Parkia platycephala lectin 2 agglutinated rabbit erythrocytes, and this activity was specifically inhibited by N-acetylglucosamine. In addition, Parkia platycephala lectin 2 hydrolyzed β(1-4) glycosidic bonds linking 2-acetoamido-2-deoxy-β-d-glucopyranose units in chitin. The full-length amino acid sequence of Parkia platycephala lectin 2, determined by N-terminal sequencing and cDNA cloning, and its three-dimensional structure, established by X-ray crystallography at 1.75 Å resolution, showed that Parkia platycephala lectin 2 is homologous to endochitinases of the glycosyl hydrolase family 18, which share the (βα) 8 barrel topology harboring the catalytic residues Asp125, Glu127, and Tyr182. © 2006 The Authors.

Enhanced multi-wavelength holographic profilometry by laser mode selection

The application of multi-wavelength holography for surface shape measurement is presented. In our holographic setup a Bi12TiO 20 (BTO) photorefractive crystal was the holographic recording medium and a multimode diode laser emitting in the red region was the light source in a two-wave mixing scheme. The holographic imaging with multimode lasers results in multiple holograms in the BTO. By employing such lasers the resulting holographic image appears covered of interference fringes corresponding to the object relief and the interferogram spatial frequency is proportional to the diode laser free spectral range (FSR). We used a Fabry-Perot étalon at the laser output for laser mode selection. Thus, larger effective values of the laser FSR were achieved, leading to higher-spatial frequency interferograms and therefore to more sensitive and accurate measurements. The quantitative evaluation of the interferograms was performed through the phase stepping technique (PST) and the phase map unwrapping was carried out through the Cellular-Automata method. For a given surface, shape measurements with different interferogram spatial frequencies were performed and compared, concerning measurement noise and visual inspection.

Lensometry by two-laser holography with photorefractive Bi12TiO20

Refractive and profilometric measurements of lenses were performed through holography with a photorefractive Bi12TiO20 crystal as the recording medium. Two properly aligned diode lasers emitting in the red region were employed as light sources. Both lasers were tuned in order to provide millimetric and sub-millimetric synthetic wavelengths. The surfaces of the test lens were covered by a 25-μm opaque plastic tape in order to allow the lens profilometry upon illuminating them with a collimated beam. The resulting holographic images appear covered by interference fringes corresponding to the wavefront geometry of the wave scattered by the lens. For refractive index measurement a diffusely scattering flat surface was positioned behind the uncovered lens which was also illuminated by a plane wave. The resulting contour interferogram describes the form of the wavefront after the beam traveled back and forth through the lens. The fringe quantitative evaluation was carried out through the four-stepping technique and the resulting phase map and the Branch-cut method was employed for phase unwrapping. The only non-optical procedure for lens characterization was the thickness measurement, made by a dial caliper. Exact ray tracing calculation was performed in order to establish a relation between the output wavefront geometry and the lens parameters like radii of curvature, thickness and refractive index. By quantitatively comparing the theoretical wavefront geometry with the experimental results relative uncertainties bellow 3% for refractive index and 1 % for focal length were obtained. © 2008 American Institute of Physics.

Penetration of 35% hydrogen peroxide into the pulp chamber in bovine teeth after LED or Nd:YAG laser activation

This aim of the present study was to evaluate the pulp chamber penetration of 35% hydrogen peroxide activated by LED (light-emitting diode) or Nd:YAG laser in bovine teeth, after an in-office bleaching technique. Forty-eight bovine lateral incisors were divided into four groups, acetate buffer was placed into the pulp chamber and bleaching agent was applied as follows: for group A (n = 12), activation was performed by LED; for group B (n = 12), activation was performed by Nd:YAG laser (60 mJ, 20 Hz); group C (n = 12) received no light or laser activation; and the control group (n = 12) received no bleaching gel application or light or laser activation. The acetate buffer solution was transferred to a glass tube and Leuco Crystal Violet and horseradish peroxidase were added, producing a blue solution. The optical density of this solution was determined spectrophotometrically and converted into microgram equivalents of hydrogen peroxide. The results were analysed using ANOVA and Tukey's test (5%). It was verified that the effect of activation was significant, as groups activated by LED or laser presented greater hydrogen peroxide penetration into the pulp chamber (0.499 +/- 0.622 microg) compared with groups that were not (0.198 +/- 0.218 microg). There was no statistically significant difference in the penetration of hydrogen peroxide into the pulp chamber between the two types of activation (LED or laser). The results suggest that activation by laser or LED caused an increase in hydrogen peroxide penetration into the pulp chamber.

Influência dos tratamentos térmicos na microestrutura e nos micromecanismos de fratura da liga ti-6al-4v produzida por sinterização direta de metal por laser (DMLS)

Pós-graduação em Engenharia Mecânica - FEIS

Tunable second harmonic generation by phase-modulated ultrashort laser pulses

We report on the generation of tunable light around 400 nm by frequency-doubling ultrashort laser pulses whose spectral phase is modulated by a sum of sinusoidal functions. The linewidth of the ultraviolet band produced is narrower than 1 nm, in contrast to the 12 nm linewidth of the non-modulated incident spectrum. The influence of pixellation of the liquid crystal spatial light modulator on the efficiency of the phase-modulated second harmonic generation is discussed.

Continuous-wave watt-level Nd:YLF/KGW Raman laser operating at near-IR, yellow and lime-green wavelengths

A Nd:YLF/KGW Raman laser has been investigated in this work. We have demonstrated CW output powers at six different wavelengths, 1147 nm (0.70 W), 1163 nm (0.95 W), 549 nm (0.65 W), 552 nm (1.90 W), 573 nm (0.60 W) and 581 nm (1.10 W), with higher peak powers achieved under quasi-CW operation. Raman conversion of the 1053 nm fundamental emission is reported for the first time, enabling two new wavelengths in crystalline Raman lasers, 549 nm and 552 nm. The weak thermal lensing associated with Nd:YLF has enabled to achieve good beam quality, M-2 <= 2.0, and stable operation in relatively long cavities. (C) 2012 Optical Society of America

Enhancement of the Nonlinear Optical Absorption of the E7 Liquid Crystal at the Nematic-Isotropic Transition

We present an experimental study of the nonlinear optical absorption of the eutectic mixture E7 at the nematic-isotropic phase transition by the Z-scan technique, under continuous-wave excitation at 532 nm. In the nematic region, the effective nonlinear optical coefficient beta, which vanishes in the isotropic phase, is negative for the extraordinary beam and positive for an ordinary beam. The parameter , whose definition in terms of the nonlinear absorption coefficient follows the definition of the optical-order parameter in terms of the linear dichroic ratio, behaves like an order parameter with critical exponent 0.22 +/- 0.05, in good agreement with the tricritical hypothesis for the nematic-isotropic transition.

Lyotropic mixture made of potassium laurate/1-undecanol/K2SO4/water presenting high birefringences and large biaxial nematic phase domain: a laser conoscopy study

The lyotropic liquid crystalline quaternary mixture made of potassium laurate (KL), potassium sulphate, 1-undecanol and water was investigated by experimental optical methods (optical microscopy and laser conoscopy). In a particular temperature and relative concentrations range, the three nematic phases (two uniaxial and one biaxial) were identified. The biaxial domain in the temperature/KL concentration surface is larger when compared to other lyotropic mixtures. Moreover, this new mixture gives nematic phases with higher birefringence than similar systems. The behavior of the symmetric tensor order parameter invariants sigma(3) and sigma(2) calculated from the measured optical birefringences supports that the uniaxial-to-biaxial transitions are of second order, described by a mean-field theory.

Radiation-induced defects in calcium fluoride and their influence on material properties under 193 nm laser irradiation

Calcium fluoride (CaF2) is one of the key lens materials in deep-ultraviolet microlithography because of its transparency at 193 nm and its nearly perfect optical isotropy. Its physical and chemical properties make it applicable for lens fabrication. The key feature of CaF2 is its extreme laser stability. rnAfter exposing CaF2 to 193 nm laser irradiation at high fluences, a loss in optical performance is observed, which is related to radiation-induced defect structures in the material. The initial rapid damage process is well understood as the formation of radiation-induced point defects, however, after a long irradiation time of up to 2 months, permanent damage of the crystals is observed. Based on experimental results, these permanent radiation-induced defect structures are identified as metallic Ca colloids.rnThe properties of point defects in CaF2 and their stabilization in the crystal bulk are calculated with density functional theory (DFT). Because the stabilization of the point defects and the formation of metallic Ca colloids are diffusion-driven processes, the diffusion coefficients for the vacancy (F center) and the interstitial (H center) in CaF2 are determined with the nudged elastic band method. The optical properties of Ca colloids in CaF2 are obtained from Mie-theory, and their formation energy is determined.rnBased on experimental observations and the theoretical description of radiation-induced point defects and defect structures, a diffusion-based model for laser-induced material damage in CaF2 is proposed, which also includes a mechanism for annealing of laser damage. rn

Characterisation of a Natural Quartz Crystal as a Reference Material for Microanalytical Determination of Ti, Al, Li, Fe, Mn, Ga and Ge

A natural smoky quartz crystal from Shandong province, China, was characterised by laser ablation ICP-MS, electron probe microanalysis (EPMA) and solution ICP-MS to determine the concentration of twenty-four trace and ultra trace elements. Our main focus was on Ti quantification because of the increased use of this element for titanium in- quartz (TitaniQ) thermobarometry. Pieces of a uniform growth zone of 9 mm thickness within the quartz crystal were analysed in four different LA-ICP-MS laboratories, three EPMA laboratories and one solution-ICP-MS laboratory. The results reveal reproducible concentrations of Ti (57 ± 4 lg g-1),Al (154 ± 15 lg g-1), Li (30 ± 2 lg g-1), Fe (2.2 ± 0.3 lg g-1), Mn (0.34 ± 0.04 lg g-1), Ge (1.7 ± 0.2 lg g-1) and Ga (0.020 ± 0.002 lg g-1) and detectable, but less reproducible, concentrations of Be, B, Na, Cu, Zr, Sn and Pb. oncentrations of K, Ca, Sr, Mo, Ag, Sb, Ba and Au were below the limits of detection of all three techniques. The uncertainties on the average concentration determinations by multiple techniques and laboratories for Ti, Al, Li, Fe, Mn, Ga and Ge are low; hence, this quartz can serve as a reference material or a secondary reference material for microanalytical applications involving the quantification of trace elements in quartz.

Yellow laser light generation by frequency doubling of the output from a master oscillator fiber power amplifier system

We present a power-scalable approach for yellow laser-light generation based on standard Ytterbium (Yb) doped fibers. To force the cavity to lase at 1154 nm, far above the gain-maximum, measures must be taken to fulfill lasing condition and to suppress competing amplified spontaneous emission (ASE) in the high-gain region. To prove the principle we built a fiber-laser cavity and a fiber-amplifier both at 1154 nm. In between cavity and amplifier we suppressed the ASE by 70 dB using a fiber Bragg grating (FBG) based filter. Finally we demonstrated efficient single pass frequency doubling to 577 nm with a periodically poled lithium niobate crystal (PPLN). With our linearly polarized 1154 nm master oscillator power fiber amplifier (MOFA) system we achieved slope efficiencies of more than 15 % inside the cavity and 24 % with the fiber-amplifier. The frequency doubling followed the predicted optimal efficiency achievable with a PPLN crystal. So far we generated 1.5 W at 1154nm and 90 mW at 577 nm. Our MOFA approach for generation of 1154 nm laser radiation is power-scalable by using multi-stage amplifiers and large mode-area fibers and is therefore very promising for building a high power yellow laser-light source of several tens of Watt.