Дисертації з теми "Nuclear magnetic resonance; rock mechanics"

[Truncated abstract] This thesis describes the development of synthetic rock samples, representative of core samples from hydrocarbon reservoirs. The basic process consists of screening and sorting silica particles into discrete grain sizes, and then binding them together using a proprietary process known as CIPS, (Calcite In-situ Precipitation System). In the bonding process, the porosity of the system is substantially preserved, and the technique allows the manufacture of synthetic core samples with a tailor-made permeability. The produced samples were extensively characterised using a variety of analytic techniques to determine their porosity, permeability and pore size distribution. These analyses were a necessary pre-cursor to a major part of this thesis: the characterisation of the pore space by nuclear magnetic resonance (NMR) techniques. The synthetic core samples, covering a 7 times factor in grain sizes were examined using NMR, and this data formed the comparative basis for the NMR studies that followed. Two fundamental NMR questions were posed and answered in this thesis: 1. What is the effect of paramagnetic ions in the rock matrix on the NMR response? In pursuit of this question the CIPS process was extended to include co-precipitation of paramagnetic ions. A key feature is that the ions were deposited in predictable amounts at known sites (on the wall of the pore space). ... The NMR response in these double cores was then measured and examined to provide an answer to the question posed at the beginning of this paragraph. The significance of this work is that the physically distinct cores are a cylindrical analogue of adjoining sedimentary strata. By answering the question posed above, the thesis gives an indication of the vertical porosity resolution ultimately possible in an NMR logging tool. At present this ranges from 9” to 24” in the most favourable circumstances. This work suggests that the NMR signal carries porosity information at a much higher resolution, and that advanced numerical analysis of the NMR signature could realise the potential of greater stratigraphic resolution in NMR logging In addition to the research outlined above, the application of the CIPS technique to produce analogues of reservoir rocks, pioneered in this thesis, has stimulated similar research to be undertaken at other institutions, including the fabrication of synthetic reservoir cores containing clay particles (at CSIRO - the Commonwealth Scientific and Industrial Research Organisation) and a large scale application, formation of meter size blocks of CIPS bonded material, with separate strata, for laboratory studies of seismic waves (at Curtin University)

This thesis discusses Nuclear Magnetic Resonance (NMR) techniques for formation evaluation in well log analysis for the oil/gas industry. We present the standard ingredients for NMR data processing and interpretation, and develop a methodology that extends the determination of surface relaxivity from the laboratory to the well site. The methodology consists of a processing algorithm for diffusion editing data, which enables surface relaxivity determination for conditions close to those found in well logging (regarding data availability and noise levels). At moderate noise levels, lower relaxivity values (below 10μm/s) can be determined solely from NMR diffusion data, while higher values (∼30μm/s) can be separated from intermediate ones. Application for actual logging data still requires some noise reduction techniques such as stationary measurements downhole or data stacking among different depths. However, it provides a way of converting T2 distributions into actual pore size distributions even for downhole acquisitions, before the samples get to the laboratory for routine analysis. Besides the logging analysis, we also developed a theoretical approximation to the diffusion equation with partial absorptive contour conditions, by calculating appropriate transition rates between cells in an arbitrary grid, allowing a simple methodology for obtaining the NMR data based on pore imaging. Calculated rates can in principle be used for modeling/understanding different diffusion phenomena, such as exchange between pores or relaxation sites.
Neste trabalho são discutidas técnicas de Ressonância Magnética Nuclear (RMN) aplicadas à avaliação de formações por meio da perfilagem de poços pela indústria de óleo e gás. São apresentados os conceitos básicos para processamento e interpretação dos dados de RMN, e desenvolvida uma metodologia para determinação da relaxatividade superficial em poço. O método consiste em um algoritmo de processamento de dados de diffusion editing, que permite a obtenção da relaxatividade superficial em condições próximas as encontradas na perfilagem de poços de petróleo (em relação à disponibilidade de dados e nível de ruído). Para níveis moderados de ruído, as relaxatividades mais baixas (menores que 10μm/s) podem ser determinadas através das medidas de difusão por RMN, enquanto valores mais altos (∼30μm/s) podem ser separados dos intermediários. Aplicações em dados de perfilagem ainda requerem técnicas de redução de ruído como aquisições estacionárias em poço ou empilhamento de dados ao longo de um intervalo de profundidades. Entretanto, o método possibilita uma forma de converter as distribuições de T2 em distribuições de tamanhos de poros ainda em poço, antes que as amostras sejam enviadas para o laboratório em análises de rotina. Além da perfilagem, foi desenvolvido também uma aproximação para a equação de difusão com condições de contorno absortivas, através de equações de taxas. A forma das taxas de transição permite o desenvolvimento de metodologias simples para obtenção dos dados de RMN através de imagens dos poros das rochas. As taxas de transição podem ser utilizadas também para a modelagem de outros fenômenos que envolvam difusão, como fenômenos de troca entre poros ou entre sítios com diferentes valores de relaxação.

The concept of a propagator is useful and is a well-known object in diffusion NMR experiments. Here, we investigate the related concept; the propagator for the magnetization or the Green’s function of the Torrey-Bloch equations. The magnetization propagator is constructed by defining functions such as the Hamiltonian and Lagrangian and using these to define a path integral. It is shown that the equations of motion derived from the Lagrangian produce complex-valued trajectories (classical paths) and it is conjectured that the end-points of these trajectories are real-valued. The complex nature of the trajectories also suggests that the spin degrees of freedom are also encoded into the trajectories and this idea is explored by explicitly modeling the spin or precessing magnetization by anticommuting Grassmann variables. A pseudoclassical Lagrangian is constructed by combining the diffusive (bosonic) Lagrangian with the Grassmann (fermionic) Lagrangian, and performing the path integral over the Grassmann variables recovers the original Lagrangian that was used in the construction of the propagator for the magnetization. The trajectories of the pseudoclassical model also provide some insight into the nature of the end-points.

In this work, the aim is to assess the relative import ance of the impact of diffusional coupling on NMR measurements of saturated laminated sandstone numerically at the layer scale to assess the feasibility of NMR rock-typing approaches. We use two 3D model structures based on a Boolean particle process, providing a range of structural to diffusion length ratios to explore the relationships between pore geometry, surface magnetic properties, and NMR transverse relaxation time. The influence of surface relaxivity and bulk susceptibility contrast on T2 relaxation responses is tested for layered structures to improve the rock-typing methodology. An escalation in pore coupling is observed with decreasing bed thickness as well as decreasing bulk susceptibility contrast and surface relaxivity the latter ones reducing the time available for pore coupling by reducing the effective relaxation rate. When pore coupling is strong, the T2 distribution clearly misrepresents the underlying bimodal distribution of the different morphologies. Consequently, the bimodal relaxation time becomes merged and the relative amplitude of the peaks fails to reflect the true morphologies of the models. Furthermore, we observed that in low noise conditions of numerical simulation the effect of diffusional coupling on transverse relaxation may be misinterpreted for the regularization effect on ILT solution. In such cases, careful selection of Laplace inversion method is essential for effective rock-typing by NMR.

Glycosaminoglycans (GAGs) play an important role in many biological processes in the extracellular matrix. In a theoretical approach, structures of monosaccharide building blocks of natural GAGs and their sulfated derivatives were optimized by a B3LYP6311ppdd//B3LYP/ 6-31+G(d) method. The dependence of the observed conformational properties on the applied methodology is described. NMR chemical shifts and proton-proton spin-spin coupling constants were calculated using the GIAO approach and analyzed in terms of the method's accuracy and sensitivity towards the influence of sulfation, O1-methylation, conformations of sugar ring, and ω dihedral angle. The net sulfation of the monosaccharides was found to be correlated with the 1H chemical shifts in the methyl group of the N-acetylated saccharides both theoretically and experimentally. The ω dihedral angle conformation populations of free monosaccharides and monosaccharide blocks within polymeric GAG molecules were calculated by a molecular dynamics approach using the GLYCAM06 force field and compared with the available NMR and quantum mechanical data. Qualitative trends for the impact of sulfation and ring conformation on the chemical shifts and proton-proton spin-spin coupling constants were obtained and discussed in terms of the potential and limitations of the computational methodology used to be complementary to NMR experiments and to assist in experimental data assignment.

In this work, the aim is to assess the relative import ance of the impact of diffusional coupling on NMR measurements of saturated laminated sandstone numerically at the layer scale to assess the feasibility of NMR rock-typing approaches. We use two 3D model structures based on a Boolean particle process, providing a range of structural to diffusion length ratios to explore the relationships between pore geometry, surface magnetic properties, and NMR transverse relaxation time. The influence of surface relaxivity and bulk susceptibility contrast on T2 relaxation responses is tested for layered structures to improve the rock-typing methodology. An escalation in pore coupling is observed with decreasing bed thickness as well as decreasing bulk susceptibility contrast and surface relaxivity the latter ones reducing the time available for pore coupling by reducing the effective relaxation rate. When pore coupling is strong, the T2 distribution clearly misrepresents the underlying bimodal distribution of the different morphologies. Consequently, the bimodal relaxation time becomes merged and the relative amplitude of the peaks fails to reflect the true morphologies of the models. Furthermore, we observed that in low noise conditions of numerical simulation the effect of diffusional coupling on transverse relaxation may be misinterpreted for the regularization effect on ILT solution. In such cases, careful selection of Laplace inversion method is essential for effective rock-typing by NMR.

Research was performed to improve the procedures for testing performance parameters of vapor cells for a nuclear-magnetic-resonance gyroscope. In addition to summarizing the theoretical infrastructure of the technology, this research resulted in the development and successful implementation of new techniques to characterize gyro cell performance. One of the most important parameters to measure for gyro performance is the longitudinal spin lifetime of polarized xenon atoms in the vapor cell. The newly implemented technique for measuring these lifetimes matches results from the industry standard method to within 3.5% error while reducing the average testing time by 76% and increasing data resolution by 54%. The vapor cell test methods were appended with new software to expedite the analysis of test data and to investigate more subtle details of the results; one of the two isotopes of xenon in the cells tends to exhibit troublesome second-order effects during these tests due to electric-quadrupole coupling, but now the added analysis capabilities can accurately extract relevant results from such data with no extra effort. Some extraneous lifetime measurement techniques were explored with less substantial results, but they provided useful insight into the complex workings of the gyro cell test system. New criteria were established to define the signal to noise ratio on a consistent basis from cell to cell across various parameters such as cell volume, temperature, and vapor pressure. A technique for measuring gas pressures inside the sealed cells helped link cell performance to cell development processes. This led to informed decisions on filling and sealing methods that consistently yielded cells with better performance in the last few months of this work. When this research began, cells with xenon lifetimes over ten seconds were rare in our lab; by the end, anything under 30 seconds was a disappointment. Not only did the test procedures improve, but so did the parameters being tested, and quite significantly at that. At the same time, many new avenues for continued progress have been opened; the work presented here, while instrumental, is only the beginning.

Thesis (Ph.D.); Submitted to the University of California, Berkeley, CA (US); 21 Dec 2004.
Published through the Information Bridge: DOE Scientific and Technical Information. "LBNL--56768" Urban, Jeffry Todd. USDOE Director. Office of Science. Office of Basic Energy Sciences (US) 12/21/2004. Report is also available in paper and microfiche from NTIS.

Includes bibliographical references.
Insect neuropeptides play a vital role in the hormone release processes associated with insect flight Elucidation of the metabolic flight pathways requires a knowledge of the peptide secondary structure to allow predictions to be made regarding hormone-receptor binding processes. The three insect neuropeptides under investigation were taken from the corpora cardiaca of the migratory locust (Locusta migratoria) and belonged to the Lom peptide series - Lom-AKH-I, II and Ill. The secondary structure of these hormones was investigated using high-resolution nuclear magnetic resonance (NMR) techniques and various molecular mechanics computations. The interproton distances and φ torsion angles obtained from the NMR data were used to constrain the peptides in subsequent Monte Carlo and molecular dynamics (simulated annealing) calculations. The results of these calculations indicated that Lom-AKH-I and Lom-AKH-III adopt a definite structure in d⁶-DMSO solution, while Lom-AKH-II appeared to be fluctional with a minimum of three structures being required to satisfy the experimental data. Lom-AKH-I and ill were shown to adopt a loose open turn structures stabilised by the presence of a single hydrogen bond. Both had an additional concave structure with hydrophobic clustering on the convex surface of the molecule. The results suggest that Lom-AKH-I and Lom-AKH-III are more reactive than Lom-AKH-II. These predictions are in agreement with literature results obtained for Lom-AKH-I and II for lipid mobilisation and phosphorylase activation. However, when measured against cAMP production, Lom-AKH-II has higher activity. Insufficient literature was available to make structure/activity comparisons for Lom-AKH-III.

From day to day, the role of HRMAS (High-Resolution Magic Angle Sinning) Nuclear Magnetic Resonance Spectroscopy (NMRS) in medical diagnosis is increasing. This technique enables setting up metabolite profiles of ex vivo pathological and healthy tissue. Automatic spectrum quantitation enables monitoring of diseases. However for several metabolites, the values of chemical shifts of proton groups may slightly differ according to the micro-environment in the tissue or cells, in particular to its pH. This hampers accurate estimation of the metabolite concentrations mainly when using quantitation algorithms based on a metabolite basis-set. The present word is devoted to the optimization of NMR metabolite basis set signals, particularly to the algorithms of chemical shift mismatch correction. Two sighal processing ("warping") methods were developed for simple and fast spectrum optimization : signal stretching/shrinking (resampling) and spectrum splitting. Then, another optimization method, QM-QUEST, coupling Quantrum Mechanical simulation and quantitation algorithms was implemented. The latter provides more robust fitting while limiting user involvement and respects the correct fingerprints of metabolites. Its efficiency is demonstrated by accurately quantitating signals from tissue samples of human brains with oligodendroglioma, obtained at 11.7 Tesla and spectra of cells acquired at 9.4T by HRMAS-NMR. As the necessity of fast NMR signal simulation based on quantum Mechanics is raised in the thesis, a part of the word is dedicated to an approximate method speeding-up the calculations. The algorithm based on spin-system fragmentation could become an important part of the QM-QUEST optimization method and will be implemented as an option of simulation in NMR-SCOPE, module of the jMRUI software package.

La dispersion dans des milieux poreux homogènes (empilements de grains) a été étudiée par des mesures par résonance magnétique nucléaire (RMN) et des simulations de marches aléatoires dans un réseau de pores. La RMN permet de mesurer l'ensemble des déplacements des molécules d'eau durant un temps tΔ, et d'obtenir propagateurs et moments caractéristiques. L'évolution temporelle du second moment σ (σ2 ∝ taΔ) permet de caractériser de manière précise le régime de dispersion des molécules (Gaussien ou anormal). Des mesures pour des écoulements de 15 < Pe < 45 dans un empilement de grains de 30μm ont permis d'observer une dispersion anormale faiblement super-dispersive (a = 1.17) en écoulement saturé et une augmentation progressive du caractère super-dispersif avec la diminution de la saturation en eau (jusqu'à a = 1.5 pour 42 %)lors d'une co-injection stationnaire eau-huile. En écoulement saturé, les propagateurs et courbes de percée sont quasi-gaussiennes, tandis qu'en écoulement insaturé, les propagateurs sont asymétriques et les courbes de percée présentent des trainées aux grands temps. Dans ces conditions, on montre que la dispersion anormale observée est mieux décrite par des lois stables de Lévy que par des lois gaussiennes. Des simulations de marche aléatoire ont été réalisées dans un réseau de pores extrait d'un milieu poreux réel par imagerie microscanner.Elles permettent d'obtenir les mêmes informations que la RMN, les marcheurs se déplaçant par advection et diffusion. Ces simulations montrent l'existence d'une stagnation non observée dans les expériences, montrant que la simplification du réseau poreux est trop importante et empêche de reproduire certains aspects du champ de vitesses détecté par la RMN. Toutefois, l'évolution temporelle du second moment a également un caractère super-dispersif à temps long à 100 % de saturation

This study aims to generate nuclear magnetic resonance (NMR)-derived down-hole pseudo capillary pressure curves in very fine grained lithologies in order to determine whether it is possible to estimate capillary displacement pressures and thereby sealing capacity. Study conclusions are that T2 response in high iron content rock is affected by many factors such as magnetic susceptibility, surface relaxivity and aspect ratio. Therefore, using the NMR response to estimate capillary displacement pressures in iron-rich, fine grained rocks is not recommended. However, further studies in rocks of low magnetic suscepibility might yield more significant correlations.
Thesis (M.Sc.(Petrol.G&G.)) -- University of Adelaide, Australian School of Petroleum, 2006

Residual dipolar couplings can be used to increase the number of qubits for quantum information processing. We have used molecules containing 3, 5 and 8 spins oriented in a liquid crystal matrix, and exploited the residual dipolar coupling to demonstrate quantum information processing in them. Transition assignment is performed using HET-Z-COSY experiment and qubit addressability is achieved by transition selective pulses. It is expected that using this protocol higher qubits can be achieved. For the implementations reported in this work, evolution under the internal Hamiltonian was not explored. It is however interesting to investigate how effectively the evolution under internal Hamiltonian can be manipulated to implement quantum algorithms in these systems. Recently an approach has been reported in this direction, where a new method of preparing pseudopure states in oriented systems by exciting selected multiple quantum using evolution under effective dipolar Hamiltonian, has been demonstrated [24].

High-resolution magic angle spinning (HRMAS) NMR spectroscopy is used to study solid samples that are normally difficult to analyze due to broadening of peaks. Solid-phase peptide synthesis can bind peptides to an insoluble resin that can be analyzed with HRMAS NMR spectroscopy. A combination of HRMAS NMR and IRMPD spectroscopy, along with computational chemistry, was applied to analyze and evaluate the structure of resin-bound glutathione. Two-dimensional 1H-1H NMR experiments such as COSY, TOCSY, and ROESY were employed to assign and predict the structure of the resin-bound peptide. IRMPD results were used along with calculated protonated structures and spectra to evaluate the conformation of the peptide. The experimental spectrum was compared to the spectra and structures of the protonated species to hypothesize the most favoured structure. Molecular mechanics, molecular dynamics and DFT calculations were implemented to collect structures that best resembled the free and resin-bound glutathione peptide. The results from these methods were compared to determine the structure that is most probable for the glutathione peptide. A semi-folded conformation is the structure the resin-bound GSH most preferred as concluded from the NMR and DFT results. The IRMPD results were analyzed as separate from the resin-bound experiments and suggested protonated GSH had a folded conformation. FK-13 was another peptide synthesized using the solid-phase peptide synthesis technique. The peptide was synthesized using a modified technique different from conventional methodology used in the past. The peptide was also analyzed using COSY, TOCSY, and ROESY to confirm that the synthesis was done correctly and hypothesize a structure. The low substitution of the peptide on the resin gave rise to minimal NOE interactions, but there was some evidence suggesting that the synthesis was successful and the peptide adopted a cyclic conformation. These initial results are useful for future analyses and conformational studies of this resin-bound peptide. Further work needs to be done for both peptides to explore the structures in more detail. The explicit model of solvation should be used to explore the effect of solvent molecules on the conformation of the glutathione peptide as opposed to the implicit model that PCM provides. FK-13 could be synthesized better so that a higher substitution is achieved and better NMR results are obtained. The IRMPD results obtained by the McMahon group can then be compared to the NMR results and computational calculations can be performed to obtain realistic structures of the peptide.

Tesis (Doctor en Física)--Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física, 2010.
En este trabajo se estudia, bajo un tratamiento cuántico completo, la dinámica de la interacción entre un sistema observado con otro no-observado (y no-controlado), con un enfoque de sistema cuántico abierto. El aporte original consiste en mantener esta visión en toda la escala temporal del operador de evolución. Esto brinda una clara distinción y comprensión de los procesos de dinámica Liouvilliana aislada, decoherencia cuántica adiabática, decoherencia cuántica y relajación. Esto lleva, como contribución original, al entendimiento de la irreversibilidad introducida por la decoherencia cuántica como un concepto local del sistema observado, con origen en el tratamiento cuántico del ambiente, que permite evolucionar al estado del sistema hacia el quasi-equilibrio. Se concluye que este estado de quasi-equilibrio es parte de la caracterización de la dinámica cuántica completa, como un estadio intrínseco de la misma, que finaliza con la termalización del sistema observado bajo relajación. Se aplican estas ideas al estudio del sistema de espines de los protones en los cristales líquidos nemáticos con Resonancia Magnética Nuclear, realizando experimentos y cálculos numéricos desde primeros principios, sin aproximaciones. Además, se diseña y construye un espectrómetro de RMN, para prestaciones de técnicas de pulsos avanzadas, con control de temperatura.
In this work we study the dynamics of the interaction between an observed and a non-observed (and uncontrolled) system, by introducing a full-quantum approach, in which the observed system is considered an open quantum system. The originality of the proposal resides in involving this quantum view along the whole timescale of the dynamics. This treatment provides insight on the different dynamical processes involved, allowing to distinguish the Liouvillian dynamics of an isolated system, adiabatic decoherence, quantum decoherence and relaxation. Through this treatment we could also identify the irreversibility introduced by quantum decoherence as a local concept of the observed system, but originated in the quantum treatment of the environment or non-observed system, which allows the evolution of the quantum state towards the quasi-equilibrium description. This description is part of the complete characterization of the quantum dynamics, as an intrinsic state of the system, which culminates with the thermalization of the observed system with the lattice, driven by relaxation processes. These ideas were applied in the study of the proton spin system of a nematic liquid crystal with Nuclear Magnetic Resonance (NMR) technics, including experiments and numerical calculations from first principles, which need no approximations. In addition, an NMR spectrometer was constructed with facilities for advanced pulsed sequences and temperature control.
Héctor Hugo Segnorile.

The progess in NMRQIP can be outlined in to four parts.1) Implementation of theoretical protocols on small number of qubits. 2) Demonstration of QIP on various NMR systems. 3) Designing and implementing the algorithms for mixed initial states. 4) Developing the techniques for coherent and decoherent control on higher number(up to 15) of qubits. This thesis contains some efforts in the direction of first three points. Quantum-state discrimination has important applications in the context of quantum communication and quantum cryptography. One of the characteristic features of quantum mechanics is that it is impossible to devise a measurement that can distinguish nonorthogonal states perfectly. However, one can distinguish them with a finite probability by an appropriate measurement strategy. In Chapter 2, we describe the implementation of a theoretical protocol of programmable quantum-state discriminator, on a two-qubit NMR System. The projective measurement is simulated by adding two experiments. This device does the unambiguous discrimination of a pair of states of the data qubit that are symmetrically located about a fixed state. The device is used to discriminate both linearly polarized states and eillipitically polarized states. The maximum probability of successful discrimination is achieved by suitably preparing the ancilla quubit. The last step of any QIP protocol is the readout. In NMR-QIP the readout is done by using density matrix tomography. It was first proposed by Ernst and co-workers that a two-dimensional method can be used to correlate input and output states. This method uses an extra (aniclla) qubit, whose transitions indicate the quantum states of the remaining qubits. The 2D spectrum of ancilla qubit represent the input and output states along F1 and F2 dimensions respectively. However the 2D method requires several t1 increments to achieve the required spectral width and resolution in the indirect dimension, hence leads to large experimental time. In chapter 3, the conventional 2D NMRQIP method is speeded-up by using Hadamard spectroscopy. The Hadamard method is used to implement various two-, three-qubit gates and qutrit gates. We also use Hadamard spectroscopy for information storage under spatial encoding and to implement a parallel search algorithm. Various slices of water sample can be spatially encoded by using a multi-frequency pulse under the field gradient. Thus the information of each slice is projected to the frequency space. Each slice represents a classical bit, where excitation and no excitation corresponds to the binary values 0 and 1 respectively. However one has to do the experiment for each binary information, by synthesizing a suitable multi-frequency pulse. In this work we show that by recording the data obtained by various Hadamard encoded multi-frequency pulses, one can suitably decode it to obtain any birnary information, without doing further experiments. Geometric phases depend only on the geometry of the path executed in the projective Hilbert space, and are therefore resilient to certain types of errors. This leads to the possibility of an intrinsically fault-tolerant quantum computation. In liquid state NMRQIP. Controlled phase shift gates are achieved by using qubit selective pulses and J evolutions, and also by using geometir phases. In order to achieve higher number of qubits in NMR, one explores dipolar couplings which are larger in magnitude, yielding strongly coupled spectra. In such systems since the Hamiltonian consists of terms, it is difficult to apply qubit selective pulses. However such systems have been used for NMRQIP by considering 2n eigen states as basis states of an n-qubit system. In chapter 4, it is shown that non-adiabatic geometric phases can be used to implement controlled phase shift gates in strongly dipolar coupled systems. A detailed theoretical explanation of non-adiabatic geometric phases in NMR is given, by using single transition operators. Using such controlled phase shift gates, the implementation of Deutsch-Jozsa and parity algorithms are demonstrated. Search algorithms play an important role in the filed of information processing. Grovers quantum search algorithm achieves polynomial speed-up over the classical search algorithm. Bruschweiler proposed a Liouville space search algorithm which achieve polymonial speed-up. This algorithm requires a weakly coupled system with a mixed initial state. In chapter 5 we modified the Bruschweiler’s algorithm, so that it can be implemented on a weakly as well as strongly coupled system. The experiments are performed on a strongly dipolar coupled four-qubit system. The experiments from four spin-1/2 nuclei of a molecule oriented in a liquid crystal matrix. Chapter 6 describes the implementation of controlled phase shift gates on a quadrupolar spin-7/2 nucleus, using non-adiabatic geometric phases. The eight energy levels of spin-7/2 nucleus, form a three qubit system. A general procedure is given, for implementing a controlled phase shift gate on a system consisting of any number of energy levels. Finally Collin’s version of three-qubit DJ algorithm using multi-frequency pulses, is implemented in the spin-7/2 system.

Tesis (Doctorado en Física)--Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física, 2007.
En esta tesis usamos la ecuación maestra cuántica generalizada de Lioville von Neumann para resolver la dinámica de sistemas de muchos espines interactuando con un baño de espines. También obtuvimos la dinámica de espines dentro del formalismo de Keldysh. Ambos métodos con idénticas soluciones juntos, nos posibilitaron realizar predicciones que concuerdan con las observaciones de experimentos de RMN. Los resultados, fueron usados para la caracterización molecular, el desarrollo de nuevas metodologías numéricas y el control de dinámica cuántica en implementaciones experimentales. Aún más importante, ha sido el surgimiento de interpretaciones físicas fundamentales de la dinámica cuántica de sistemas cuánticos abiertos tales como la manifestación de una transición de fase en la dinámica cuántica inducida por el ambiente. El control de sistemas cuánticos abiertos tiene una relevancia fundamental en campos que van desde el procesamiento de la información cuántica hasta la nanotecnología. Típicamente, el sistema cuya dinámica coherente se desea manipular, interactúa con un ambiente que suavemente degrada su dinámica cuántica. Es así que el entendimiento preciso de los mecanismos internos de este proceso, llamado decoherencia, es crítico para el desarrollo de estrategias para el control de la dinámica cuántica. En esta tesis usamos la ecuación maestra cuántica generalizada de Liouville-von Neuman para resolver la dinámica de sistemas de muchos espines interactuando con un baño de espines. También obtuvimos la dinámica de espines dentro del formalismo de Keldysh. Ambos métodos nos llevaron a idénticas soluciones y juntos nos dieron la posibilidad de realizar numerosas predicciones que concuerdan con las observaciones de experimentos de Resonancia Magnética Nuclear. Estos resultados son usados para la caracterización molecular, el desarrollo de nuevas metodologías numéricas y el control de la dinámica cuántica en implementaciones experimentales. Pero aún más importante es el surgimiento de interpretaciones físicas fundamentales de la dinámica cuántica de sistemas cuánticos abiertos, tales como la manifestación de una transición de fase dinámica cuántica inducida por el ambiente.
Gonzalo Agustín Alvarez.

This thesis focuses on two aspects of Quantum Information Processing (QIP) and contains experimental implementation by Nuclear Magnetic Resonance (NMR) spectroscopy. The two aspects are: (i) development of novel methodologies for improved or fault tolerant QIP using longer lived states and geometric phases and (ii) implementation of certain quantum algorithms and theorems by NMR. In the first chapter a general introduction to Quantum Information Processing and its implementation using NMR as well as a description of NMR Hamiltonians and NMR relaxation using Redfield theory and magnetization modes are given. The second chapter contains a study of relaxation of Pseudo Pure States (PPS). PPS are specially prepared initial states from where computation begins. These states, being non-equilibrium states, relax with time and hence introduce error in computation. In this chapter we have studied the role of Cross-Correlations in relaxation of PPS. The third and fourth chapters, respectively report observation of cyclic and non-cyclic geometric phases. When the state of a qubit is subjected to evolution either adiabatically or non-adiabatically along the surface of the Bloch sphere, the qubit sometimes gain a phase factor apart from the dynamic phase. This is known as the Geometric phase, as it depends only on the geometry of the path of evolution. Geometric phase is used in Fault tolerant QIP. In these two chapters we have demonstrated how geometric phases of a qubit can be measured using NMR. The fifth and sixth chapters contain the implementations of “No Deletion” and “No Cloning” (quantum triplicator for partially known states) theorems. No Cloning and No Deletion theorems are closely related. The former states that an unknown quantum states can not be copied perfectly while the later states that an unknown state can not be deleted perfectly either. In these two chapters we have discussed about experimental implementation of the two theorems. The last chapter contains implementation of “Deutsch-Jozsa” algorithm in strongly dipolar coupled spin systems. Dipolar couplings being larger than the scalar couplings provide better opportunity for scaling up to larger number of qubits. However, strongly coupled systems offer few experimental challenges as well. This chapter demonstrates how a strongly coupled system can be used in NMR QIP.