Structural modelling of liquid ZrO2 and glassy B2O3 by using AB INITIO Molecular Dynamics method

Atomic structure of ZrO2 and B2O3 was investigated in this work. New data under extreme conditions (T = 3100 K) was obtained for the liquid ZrO2 structure. A fractional number of boron was investigated for glassy structure of B2O3. It was shown that it is possible to obtain an agreement for the fractional number between NMR and DFT techniques using a suitable initial configuration.

Surface modification and crystallization of the BaO-B2O3-SiO2 glassy system using CO2 laser irradiation

The surface modification and crystallization process of BaO-B2O3-SiO2 glass compositions when exposed to CO2 laser irradiation was evaluated as a function of the laser power, irradiation time and surface condition. The glass surface was modified by the application of laser power exceeding 0.40 W and an irradiation time of more than 300 s. Micro-Raman and X-ray diffraction measurements revealed at high laser power the formation of beta-BaB2O4 (beta-BBO) crystalline phase. The crystallization of the irradiated region was enhanced when beta-BBO micrometer sized particles were dispersed on the surface of the glass sample. The intensity of the second harmonic generation observed in the crystallized region was found to depend mainly on the condition of the glassy surface prior to glass irradiation. (C) 2007 Elsevier B.V. All rights reserved.

Evolução microestrutural da cerâmica KSr2Nb5O15 dopada com CuO:B2O3

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Caracterização de propriedades de vidros polarizados do sistema P2O5 – B2O3 – CaO – TiO2

Pós-graduação em Ciência dos Materiais - FEIS

Caracterização de sistemas vítreos baseados no formador B2O3 e P2O5 dopados com CeO2

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Vitrocerâmicas de alta resistência mecânica obtidas a partir da cristalização do sistema SiO2-Al2O3-MgO-Li2O com adição de ZrO2 e B2O3

Pós-graduação em Engenharia Mecânica - FEG

Magnetic and optical investigation of 40SiO(2)center dot 30Na(2)O center dot 1Al(2)O(3)center dot(29-x) B2O3 center dot xFe(2)O(3) glass matrix

Samples of 40SiO(2)center dot 30Na(2)O center dot 1Al(2)O(3)center dot(29 - x)B2O3 center dot xFe(2)O(3) (mol%), with 0.0 <= x <= 17.5, were prepared by the fusion method and investigated by electron paramagnetic resonance (EPR), optical absorption (OA) and Mossbauer spectroscopy (MS). The EPR spectra of the as-synthesized samples exhibit two well-defined EPR signals around g = 4.27 and g = 2.01 and a visible EPR shoulder around g = 6.4, assigned to isolated Fe3+ ion complexes (g = 4.27 and g = 6.4) and Fe3+-based clusters (g = 2.01). Analyses of both EPR line intensity and line width support the model picture of Fe3+-based clusters built in from two sources of isolated ions, namely Fe2+ and Fe3+; the ferrous ion being used to build in iron-based clusters at lower x-content (below about x = 2.5%) whereas the ferric ion is used to build in iron-based clusters at higher x-content (above about x = 2.5%). The presence of Fe2+ ions incorporated within the glass template is supported by OA data with a strong band around 1100 nm due to the spin-allowed E-5(g)-T-5(2g) transition in an octahedral coordination with oxygen. Additionally, Mossbauer data (isomer shift and quadrupole splitting) confirm incorporation of both Fe2+ and Fe3+ ions within the template, more likely in tetrahedral-like environments. We hypothesize that ferrous ions are incorporated within the glass template as FeO4 complex resulting from replacing silicon in non-bridging oxygen (SiO3O-) sites whereas ferric ions are incorporated as FeO4 complex resulting from replacing silicon in bridging-like oxygen silicate groups (SiO4). (C) 2012 Elsevier Masson SAS. All rights reserved.

Melting and freezing of spherical bismuth nanoparticles confined in a homogeneous sodium borate glass

The melting temperature and the crystallization temperature of Bi nanoclusters confined in a sodium borate glass were experimentally determined as functions of the cluster radius. The results indicate that, on cooling, liquid Bi nanodroplets exhibit a strong undercooling effect for a wide range of radii. The difference between the melting temperature and the freezing temperature decreases for decreasing radius and vanishes for Bi nanoparticles with a critical radius R = 1.9 nm. The magnitude of the variation in density across the melting and freezing transitions for Bi nanoparticles with R = 2 nm is 40% smaller than for bulk Bi. These experimental results support a basic core-shell model for the structure of Bi nanocrystals consisting of a central crystalline volume surrounded by a structurally disordered shell. The volume fraction of the crystalline core decreases for decreasing nanoparticle radius and vanishes for R = 1.9 nm. Thus, on cooling, the liquid nanodroplets with R < 1.9 nm preserve, across the liquid-to-solid transformation, their homogeneous and disordered structure without crystalline core.

Screen printed La2/3Sr1/3MnO3 thick films on alumina substrates

We report here on the preparation of La2/3Sr1/3MnO3 magnetoresistive thick films on polycrystalline Al2O3 substrates by using the screen printing technique. It is shown that films can be obtained using high temperature sintering. While there is a reacted layer, this improves adhesion and is not too troublesome if the films are made thick enough. It is shown that PbO-B2O3-SiO2 glass additives allow sintering at lower temperatures and can be used to improve the mechanical stress of the films. However, it is found that glass concentrations large enough to significantly improve the film adherence result in a weak low field magnetoresistance probably because grains are coated with high resistivity material. Strategies to overcome these difficulties are discussed.

Modos de aplicação de calcário e de micronutrientes em pomar de laranjeira 'Natal' e análise comparativa de custos

De acordo com o Agrianual (2005), a produção citrícola brasileira é de 17,7 milhões de toneladas ano-1,ocupando aproximadamente 1 milhão de hectares no território brasileiro e, deste total, 810 mil hectares localizam-se no Estado de São Paulo. A maioria dos solos brasileiros, inclusive aqueles onde foram instalados os pomares cítricos, apresenta reação ácida. Esta é, sem dúvida, a principal condição desfavorável dos solos e um dos fatores limitantes da produção em solos tropicais. O presente trabalho teve por objetivo estudar o efeito de diferentes modos de aplicação de calcário e de micronutrientes e analisar, de forma comparativa, os custos destes tratamentos em um pomar de laranjeira. O experimento foi desenvolvido na Fazenda Morumbi, município de Estrela D'Oeste-SP, num Argissolo Vermelho-Amarelo. A variedade de laranjeira utilizada foi a 'Natal', enxertada em limão Cravo, com 6 anos de idade e espaçamento 5 x 8 m. O delineamento experimental foi em parcelas subdivididas, com 3 repetições, com 5 tratamentos principais (sem calcário; a necessidade total de calcário (NC) incorporado; NC sem incorporação; ¹/2 NC no primeiro ano + ¹/2 NC no segundo ano e ¹/3 NC no primeiro ano, + ¹/3 NC no segundo ano, + ¹/3 NC no terceiro ano) e dois tratamentos secundários [micronutrientes via solo (FTE-BR 12: 11,5 % de ZnO e B2O3; 1% CuO; 5,4% de Fe2O3; 5,5% de MnO2; 0,2% de MoO3) e micronutrientes via foliar (sulfato de zinco a 0,5% e ácido bórico a 0,08%)], distribuídos em blocos casualizados. Não houve efeito significativo dos modos de aplicação da calagem e de micronutrientes sobre as variáveis avaliadas (produção, sólidos solúveis totais, acidez total titulável). Para massa média do fruto, o efeito significativo aconteceu apenas no primeiro ano, com a calagem em dose única e sem incorporação, e micronutrientes via solo. Concluiu-se que não houve efeito significativo dos modos de aplicação do calcário e dos micronutrientes para produção e massa média dos frutos da laranjeira 'Natal', e a receita líquida foi positiva em todos os tratamentos, sendo que o tratamento 5 [¹/3 da necessidade total de calcário (NC) no 1º ano + ¹/3 da NC no 2º ano, + ¹/3 da NC no 3º ano] apresentou o melhor valor acumulado (U$ 3.721,85 ha-1).

Growth and Melting of Metallic Nanoclusters in Glass: A Review of Recent Investigations

The mechanisms of nucleation and growth and the solid-to-liquid transition of metallic nanoclusters embedded in sodium borate glass were recently studied in situ via small-angle X-ray scattering (SAXS) and wide-an-le X-ray scattering (WAXS). SAXS results indicate that, under isothermal annealing conditions, the formation and growth of Bi or Ag nanoclusters embedded in sodium borate glass occurs through two successive stages after a short incubation period. The first stage is characterized by the nucleation and growth of spherical metal clusters promoted by the diffusion of Bi or Ag atoms through the initially supersaturated glass phase. The second stage is named the coarsening stage and occurs when the (Bi- or Ag-) doping level of the vitreous matrix is close to the equilibrium value. The experimental results demonstrated that, at advanced stages of the growth process, the time dependence of the average radius and density number of the clusters is in agreement with the classical Lifshitz-Slyozov-Waoner (LSW) theory. However, the radius distribution function is better described by a lognormal function than by the function derived from the theoretical LSW model. From the results of SAXS measurements at different temperatures, the activation energies for the diffusion of Ag and Bi through sodium borate glass were determined. In addition, via combination of the results of simultaneous WAXS and SAXS measurements at different temperatures, the crystallographic structure and the dependence of melting temperature T(m) on crystal radius R of Bi nanocrystals were established. The experimental results indicate that T(m) is a linear and decreasing function of nanocrystal reciprocal radius 1/R, in agreement with the Couchman and Jesser theoretical model. Finally, a weak contraction in the lattice parameters of Bi nanocrystals with respect to bulk crystals was established.

Modos de aplicação de calcário e de micronutrientes em pomar de laranjeira 'Natal' e análise comparativa de custos

De acordo com o Agrianual (2005), a produção citrícola brasileira é de 17,7 milhões de toneladas ano-1,ocupando aproximadamente 1 milhão de hectares no território brasileiro e, deste total, 810 mil hectares localizam-se no Estado de São Paulo. A maioria dos solos brasileiros, inclusive aqueles onde foram instalados os pomares cítricos, apresenta reação ácida. Esta é, sem dúvida, a principal condição desfavorável dos solos e um dos fatores limitantes da produção em solos tropicais. O presente trabalho teve por objetivo estudar o efeito de diferentes modos de aplicação de calcário e de micronutrientes e analisar, de forma comparativa, os custos destes tratamentos em um pomar de laranjeira. O experimento foi desenvolvido na Fazenda Morumbi, município de Estrela D'Oeste-SP, num Argissolo Vermelho-Amarelo. A variedade de laranjeira utilizada foi a 'Natal', enxertada em limão Cravo, com 6 anos de idade e espaçamento 5 x 8 m. O delineamento experimental foi em parcelas subdivididas, com 3 repetições, com 5 tratamentos principais (sem calcário; a necessidade total de calcário (NC) incorporado; NC sem incorporação; ¹/2 NC no primeiro ano + ¹/2 NC no segundo ano e ¹/3 NC no primeiro ano, + ¹/3 NC no segundo ano, + ¹/3 NC no terceiro ano) e dois tratamentos secundários [micronutrientes via solo (FTE-BR 12: 11,5 % de ZnO e B2O3; 1% CuO; 5,4% de Fe2O3; 5,5% de MnO2; 0,2% de MoO3) e micronutrientes via foliar (sulfato de zinco a 0,5% e ácido bórico a 0,08%)], distribuídos em blocos casualizados. Não houve efeito significativo dos modos de aplicação da calagem e de micronutrientes sobre as variáveis avaliadas (produção, sólidos solúveis totais, acidez total titulável). Para massa média do fruto, o efeito significativo aconteceu apenas no primeiro ano, com a calagem em dose única e sem incorporação, e micronutrientes via solo. Concluiu-se que não houve efeito significativo dos modos de aplicação do calcário e dos micronutrientes para produção e massa média dos frutos da laranjeira 'Natal', e a receita líquida foi positiva em todos os tratamentos, sendo que o tratamento 5 [¹/3 da necessidade total de calcário (NC) no 1º ano + ¹/3 da NC no 2º ano, + ¹/3 da NC no 3º ano] apresentou o melhor valor acumulado (U$ 3.721,85 ha-1).

Lead-cadmium oxyfluoride glasses and glass-ceramics

Glasses and glass-ceramics have been obtained in oxyfluoride systems involving lead and cadmium fluorides and one of the well-known glass former oxides SiO2, B2O3 and TeO2. Vitreous domains were established and a wide range of compositions including high heavy metal contents lead to stable glasses. Amorphous structures have been studied by short-range order spectroscopy techniques (Raman scattering and x-ray absorption) and molecular basic structures have been identified. Besides the usual oxides, the role of glass former could also be proposed for cadmium ions. Special attention has been paid for crystallization process. Cubic lead fluoride, cubic lead tellurite, tetragonal tellurium oxide and a solid solution of the type Pb1-xCdxF2 are obtained as crystallization products depending on the composition and temperature of heat treatments. Pb1-xCdxF2 solid solutions are well known superionic materials and obtaining this solid solution as a crystal phase could be very interesting for applications concerning ionic electrical conduction properties. The addition of rare earth ions led to the control of the crystallization process. In the presence of the nucleating ion only the cubic form beta-PbF2 was identified. Rare earth ions are present in the crystal phase and crystal-like spectroscopic properties were observed suggesting interesting applications for these perfectly transparent glass ceramics in photonics.

Spectroscopic properties of lead fluoroborate glasses doped with ytterbium

A new lead fluoroborate glass (PbO-PbF2-B2O3) doped with ytterbium (Yb:PbFB) is presented. Samples with different concentrations of Yb3+ were produced and had their emission cross-sections, fluorescence lifetimes and minimum pump intensities determined. They have high refractive index of 2.2 and a density of 4.4 g/cm(3). For a doping level of 1.153x10(20) ions/cm(3), the fluorescence lifetime, after excitation at 968 nm, is 0.81 ms, which is comparable to Yb:tellurite laser glass. Also, an emission band at 1022 nm is measured with emission cross-section of approximately 1.07x10(-20) cm(2) and fluorescence effective linewidth of 60 nm, which is comparable to Yb:phosphate laser glass. (C) 2001 Optical Society of America.