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Espectros de Ressonância Paramagnética Eletrônica de Ni POT. 2+ diluídos em monocristais de Zn(FB IND 4)IND 2 6 H IND 2O foram registrados na banda X, entre 77 e 300 K. Os cristais foram crescidos nas concentrações de Ni POT 2+ de 0,5; 0,8; 1,5, 3,9. 5; 15; 33; 53; 75 78; 85; 88; 92; 98 e 100%. Desenvolvemos um método de medi da de concentração de Ni POT 2+, por espectrofotometria, para a determinação da concentração real, pois verificamos que nos cristais a proporção de Ni POT 2 + é sempre maior que na solução utilizada para o crescimento . Do espectro, obtivemos a largura da 2ª linha do níquel, H IND z2 e verificamos que na região de temperaturas altas a largura de linha, para todas as concentrações, obedece à lei H IND ms = a + bT POT 2. O primeiro termo varia com a concentração, por representar a contribuição da interação spin-spin e o termo bT POT 2, que é a contribuição da relaxação spin- rede, mantém-se praticamente constante com a concentração, como era de se esperar. As análises dos espectros indicaram que eles resultam da superposição de várias linhas e, para compreendermos as estruturas do espectro aplicamos , pela primeira vez , um modelo teórico que denominamos Modelo de Pares. Tal aplicação nos permitiu redeterminar, tanto os parâmetros da Hamiltoniana de Spin, D e g, quanto as larguras de linha das linhas componentes. Com a largura de linha das linhas componentes desta estrutura, pudemos obter os parâmetros de interação spin- spin, a. A aplicação do Modelo de Pares indica que a contribuição da interação spin- spin é de natureza basicamente dipolar. A análise geral dos dados experimentais mostra que os resultados experimentais obtidos concordam com os modelos teóricos existentes. / Electron Paramagnetic Resonance (EPR) spectra of Ni 2+ diluted in single crystals of Zn(BF4) 26H2O were obtained in the X- band between 77 and 300 K. Samples were grown with Ni2+ concentrations of 0.5; 0.8; 1,5; 3.9 ; 5; 15; 33; 53; 75; 78; 85; 88; 92; 98 and 100%. These values were determined by an optical absorption method developped for the present work . Analysis of the maximum slope line width of the second line (Hz2) has been shown that it obeys the H = a + bT2 law. The a parameter which is associated with the spin-spin interaction changes with concentration while the coefficient of the quadratic term bT which represents the spin-latice relaxation contribution remains, pratically, the same for all the specimens. Careful analysis of thermal and concentration variations of the spectra indicated that they are formed by superposition of several lines. The structure of these lines was studied applying, for the first time, a theoretical model considering interacting pairs of magnetic ions. This model enabled us to determine the D and g spin Hamiltonian parameters, and the individual line whidth which gave the nature of the spin- spin interact i on basically of dipolar origin. Finally we concluded that our experimental results agree with available theoretical models.

Espectros de Ressonância Paramagnética Eletrônica de Ni POT. 2+ diluídos em monocristais de Zn(FB IND 4)IND 2 6 H IND 2O foram registrados na banda X, entre 77 e 300 K. Os cristais foram crescidos nas concentrações de Ni POT 2+ de 0,5; 0,8; 1,5, 3,9. 5; 15; 33; 53; 75 78; 85; 88; 92; 98 e 100%. Desenvolvemos um método de medi da de concentração de Ni POT 2+, por espectrofotometria, para a determinação da concentração real, pois verificamos que nos cristais a proporção de Ni POT 2 + é sempre maior que na solução utilizada para o crescimento . Do espectro, obtivemos a largura da 2ª linha do níquel, H IND z2 e verificamos que na região de temperaturas altas a largura de linha, para todas as concentrações, obedece à lei H IND ms = a + bT POT 2. O primeiro termo varia com a concentração, por representar a contribuição da interação spin-spin e o termo bT POT 2, que é a contribuição da relaxação spin- rede, mantém-se praticamente constante com a concentração, como era de se esperar. As análises dos espectros indicaram que eles resultam da superposição de várias linhas e, para compreendermos as estruturas do espectro aplicamos , pela primeira vez , um modelo teórico que denominamos Modelo de Pares. Tal aplicação nos permitiu redeterminar, tanto os parâmetros da Hamiltoniana de Spin, D e g, quanto as larguras de linha das linhas componentes. Com a largura de linha das linhas componentes desta estrutura, pudemos obter os parâmetros de interação spin- spin, a. A aplicação do Modelo de Pares indica que a contribuição da interação spin- spin é de natureza basicamente dipolar. A análise geral dos dados experimentais mostra que os resultados experimentais obtidos concordam com os modelos teóricos existentes. / Electron Paramagnetic Resonance (EPR) spectra of Ni 2+ diluted in single crystals of Zn(BF4) 26H2O were obtained in the X- band between 77 and 300 K. Samples were grown with Ni2+ concentrations of 0.5; 0.8; 1,5; 3.9 ; 5; 15; 33; 53; 75; 78; 85; 88; 92; 98 and 100%. These values were determined by an optical absorption method developped for the present work . Analysis of the maximum slope line width of the second line (Hz2) has been shown that it obeys the H = a + bT2 law. The a parameter which is associated with the spin-spin interaction changes with concentration while the coefficient of the quadratic term bT which represents the spin-latice relaxation contribution remains, pratically, the same for all the specimens. Careful analysis of thermal and concentration variations of the spectra indicated that they are formed by superposition of several lines. The structure of these lines was studied applying, for the first time, a theoretical model considering interacting pairs of magnetic ions. This model enabled us to determine the D and g spin Hamiltonian parameters, and the individual line whidth which gave the nature of the spin- spin interact i on basically of dipolar origin. Finally we concluded that our experimental results agree with available theoretical models.

Wir stellen eine Untersuchung einer Kombination zwischen HQET und relativistischer QCD vor, die das Ziel hat, die b-Quark Masse und die Zerfallskonstante des Bs-Mesons aus Gitter-Simulationen, unter Nichtbeachtung virtueller Fermionenschleifen, zu gewinnen. Wir beginnen mit einem kleinen Volumen, in dem man das b-Quark direkt simulieren kann, und stellen die numerische Verbindung mit einem großen Volumen, wo ``finite-size'''' Effekte vernachlässigbar sind, mit Hilfe einer ``finite-size'''' Methode her. Diese besteht aus zum Kontinuum extrapolierten Schritten, wobei der Massenpunkt, der der physikalischen b-Quark Masse entspricht, durch eine Interpolation erreicht wird. In diese Interpolation fliessen die in der HQET erzielten Resultate ein. Mit dem durch die Sommersche Skale r0 bestimmten Gitterabstand und den experimentalen Werten für die Bs- und K-Massen erhalten wir die Endergebnisse für die renormierungsgruppeninvariante Masse Mb = 6.88(10) GeV, äquivalent zu mb(mb) = 4.42(6) GeV in dem MSbar-Schema und fBs = 191(6) MeV für die Zerfallskonstante. Eine Renormierungsbedingung für den Chromo-magnetischen Operator, der in führender Ordnung der Entwicklung in der schweren Quarkmasse in HQET für die Massenaufspaltung zwischen dem pseudoskalaren und dem vektoriellen Kanal mesonischer schwer-leicht gebundener Zustände verantwortlich ist, wird auf der Basis von Gitter-Korrelationsfunktionen bereitgestellt. Dies eignet sich gut für eine nicht-störungstheoretische Rechnung, welche einen großen Bereich der Renormierungsskala umfasst und keine Valenz-Quarks beinhaltet. Die Zwei-Schleifen Ordnung der entsprechenden anomalen Dimension im Schrödinger-Funktional-Schema wird mit Hilfe von veröffentlichten Ergebnissen berechnet; dies erforderte eine neue Ein-Schleifen Rechnung im SF-Schema mit einem nicht verschwindenden Hintergrundfeld. Die Gitterartefakte bezüglich der Skalenentwicklung des Renormierungsfaktors werden zur Ein-Schleifen Ordnung untersucht, und es wird von nicht-störungstheoretischen Simulationen, unter Nichtbeachtung virtueller Fermionenschleifen, bestätigt, dass sie für die gegenwärtige verfügbare numerische Präzision vernachlässigbar sind. / We present a study of a combination of HQET and relativistic QCD to extract the b-quark mass and the Bs-meson decay constant from lattice quenched simulations. We start from a small volume, where one can directly simulate the b-quark, and compute the connection to a large volume, where finite size effects are negligible, through a finite size technique. The latter consists of steps extrapolated to the continuum limit, where the b-region is reached through interpolations guided by the effective theory. With the lattice spacing given in terms of the Sommer''s scale r0 and the experimental Bs and K masses, we get the final results for the renormalization group invariant mass Mb = 6.88(10) GeV, translating into mb(mb) = 4.42(6) GeV in the MSbar scheme, and fBs = 191(6) MeV for the decay constant. A renormalization condition for the chromo-magnetic operator, responsible, at leading order in the heavy quark mass expansion of HQET, for the mass splitting between the pseudoscalar and the vector channel in mesonic heavy-light bound states, is provided in terms of lattice correlations functions which well suits a non-perturbative computation involving a large range of renormalization scales and no valence quarks. The two-loop expression of the corresponding anomalous dimension in the Schrödinger functional (SF) scheme is computed starting from results in the literature; it requires a one-loop calculation in the SF scheme with a non-vanishing background field. The cutoff effects affecting the scale evolution of the renormalization factors are studied at one-loop order, and confirmed by non-perturbative quenched computations to be negligible for the numerical precision achievable at present.

The continuous flow separation of magnetic particles from a mixture of particles could improve the performance of magnetic bead based assays but the formation of agglomerates limit the separation efficiency. Bead agglomerates are formed as a result of magnetic binding forces while the hydrodynamic fluid environment strongly influences their movement. The ability to predict the interaction between nearby beads will help to determine a threshold separation distance which will be recommended for use when obtaining measurement within a magnetic bead assay for a specified time interval. The introductory part of this thesis explored the development of a two dimensional numerical model in Matlab which predicts the trajectory pattern as well as magnetic induced velocities between a pair of super-paramagnetic beads suspended in water within a uniform field. The movement of a bead pair interacting due to both magnetic and hydrodynamic forces within a magnetophoretic system was recorded using an optical system; the beads' movements were compared with the simulated trajectories and gave a good agreement. The model was used to predict the shortest agglomeration time for a given separation distance which is of practical benefit to users of bead based assays. The concluding part of this thesis expanded the simulation into a three dimensional model to predict the interactions among three super-paramagnetic beads within a magnetophoretic system. In order to determine the height of the magnetic beads, a Huygens-Fresnel model was implemented in Matlab which was compared with off-focused diffracted images of the beads viewed under an optical system. A good comparison was obtained by comparing the simulated three-dimensional trajectories with experimental data.

Magneticky řízené samo-uspořádávání v polymerních nanokompozitech je studováno v této dizertační práci. Strukturování polymerních nanokompozitů pomocí relativně slabých magnetických polí (B=0-50 mT) bylo prokázáno jako praktická metoda pro kontrolu jejích nano a mikrostruktury. Vliv intenzity magnetického pole, množství nanočástic, viskozity a času uspořádávání na výslednou strukturu byl studován v různých systémech jako fotopolymer, polyuretan nebo koloidně dispergované nanočástice v acetonu s malým množstvím rozpuštěného polymeru. Samo-uspořádané struktury – bez aplikace vnějšího magnetického pole vykazují vícekrokovou agregaci nanočástic do uskupení s komplexním tvarem. Magnetické interakce byly označené jako odpovědné za agregaci nanočástic v samo-uspořádaných systémech pomocí výpočtů energii mezi-částicových interakcí. S rostoucím magnetickým polem, magnetické nanočástice jsou rychle uspořádané do jednorozměrných částicových řetězů s vysokým aspektním poměrem a homogenní orientaci v polymerní matrici. S prodluženým časem uspořádaní, tyto struktury postupně rostou z malých submikrometrových struktur do velkých mikroskopických super struktur. Táto metoda vykazuje velký potenciál pro kontrolovanou přípravu široké škály struktur v polymerních nanokompozitech vhodných pro technologické aplikace a také pro fundamentální studie. Magneticky uspořádané polymerní nanokompozity vykazují značnou směrovou anisotropii tuhosti kompozitu nad jeho skelným přechodem přičemž, pod skelným přechodem systému není pozorován žádný efekt. Podélně orientované struktury vykazují větší příspěvek k tuhosti kompozitů. Efektivnost vyztužení vykazuje teplotně závislý průběh a maximum je pozorováno přibližně 60 °C nad skelným přechodem. Struktura magneticky uspořádaného polymerního nanokompozitu byla popsána vícero-úrovňovým hierarchickým modelem materiálu. Mikromechanika byla využitá k popisu směrově závislého vyztužení polymerních nanokompozitů a k popisu teplotně závislé tuhosti hybridních struktur složených z nanočástic a polymeru. Schopnost nést napětí, deformovat se a nenulová tuhost hybridních struktur je odpovědná za vyztužení polymerních nanokompozitů. Přítomnost polymerních přemostění mezi nanočásticemi, které přenášejí napěti skrze magnetické struktury je označená jako nezbytná pro mechanickou odezvu polymerních nanokompozitů a pro tuhost hybridních struktur.