Quantum information and quantum computing (QIQC) systems, relying on the phenomena of superposition and entanglement, offer the potential for vast improvements in certain computations. A practical QC realization requires maintaining the stored information for time-scales long enough to implement algorithms. One primary cause of information loss is decoherence, i.e., the loss of coherence between two energy levels in a quantum system. This work attributes decoherence to dissipation occurring as the system evolves and uses steepest-entropy-ascent quantum thermodynamics (SEAQT) to predict the evolution of system state. SEAQT asserts that, at any instant of time, the system state evolves such that the rate of system entropy change is maximized while conserving system energy. With this principle, the SEAQT equation of motion is applicable to systems in any state, near or far from stable equilibrium, making SEAQT particularly well suited for predicting the dissipation occurring as quantum algorithms are implemented. In the present research, the dynamics of qubits (quantum-bits) using the SEAQT framework are first examined during common quantum gates (combinations of which form algorithms). This is then extended to modeling a system of multiple qubits implementing Shor's algorithm on a nuclear-magnetic-resonance (NMR) QC. Additionally, the SEAQT framework is used to predict experimentally observed dissipation occurring in a two-qubit NMR QC undergoing a so called ``quenching'' process. In addition, several methods for perturbing the density or so-called ``state'' operator used by the SEAQT equation of motion subject to an arbitrary set of expectation value constraints are presented. These are then used as the basis for randomly generating states used in analyzing the dynamics of entangled, non-interacting systems within SEAQT. Finally, a reservoir interaction model is developed for general quantum systems where each system locally experiences a heat interaction with an external reservoir. This model is then used as the basis for developing a decoherence control scheme, which effectively transfers entropy out of the QIQC system as it is generated, thus, reducing the decoherence. Reservoir interactions are modeled for single qubits and the control scheme is employed in modeling an NMR QC and shown to eliminate nearly all of the noise caused by decoherence/dissipation. / Doctor of Philosophy / Quantum computers (QCs) have the potential to perform certain tasks much more efficiently than today0 s supercomputers. One primary challenge in realizing a practical QC is maintaining the stored information, the loss of which is known as decoherence. This work attributes decoherence to dissipation (a classical analogue being heat generated due to friction) occurring while an algorithm is run on the QC. Standard quantum modeling approaches assume that for any dissipation to occur, the QC must interact with its environment. However, in this work, steepest-entropy-ascent quantum thermodynamics (SEAQT) is used to model the evolution of the QC as it runs an algorithm. SEAQT, developed by Hatsopolous, Gyftopolous, Beretta, and others over the past 40 years, supplements the laws of quantum mechanics with those of thermodynamics and in contrast to the standard quantum approaches does not require the presence of an environment to account for the dissipation which occurs. This work first applies the SEAQT framework to modeling single qubits (quantum bits) to characterize the effect of dissipation on the information stored on the qubit. This is later extended to a nuclear-magnetic-resonance (NMR) QC of 7 qubits. Additionally, SEAQT is used to predict experimentally observed dissipation in a two-qubit NMR QC. Afterwards, several methods for constrained perturbations of a QC0 s state are presented. These methods are then used with SEAQT to analyze the effect of dissipation on the entanglement of two qubits. Finally, a model is derived within the SEAQT framework accounting for a qubit interacting with its environment, which is at a constant temperature. This model is then used to develop a method for limiting the decoherence and shown to significantly lowering the resulting error due to decoherence.

Three of the most important questions concerning hydrogen storage in metals are how much hydrogen can be absorbed, how fast it can be absorbed (or released) and finally how strongly the hydrogen is bonded. In transition metals hydrogen occupies interstitial sites and the absorption as well as desorption of hydrogen can be fast. The enthalpy of the hydride formation is determined by the electronic structure of the absorbing material, which determines the amount of energy released in the hydrogen uptake and the energy needed to release the hydrogen. This thesis concerns the possibility of tuning hydrogen uptake by changing the extension of the absorbing material and the boundary conditions of extremely thin layers. When working with extremely thin layers, it is possible to alter the strain state of the absorbing material, which is used to influence the site occupancy of hydrogen isotopes. Vanadium is chosen as a model system for these studies. V can be grown in the form of thin films as well as superlattices using MgO as a substrate. Special emphasis are on Fe/V(001) and Cr/V(001) superlattices as these can be grown as high quality single crystals on a routine basis. The use of high quality samples ensured well-defined conditions for all the measurements. In these experiments the hydrogen concentration is determined by the light transmittance of the thin films.  By changing the temperature and the pressure of the hydrogen gas, it is possible to determine the thermodynamic properties of hydrogen in the samples, from the obtained concentrations.  Measurements of the electrical resistivity is used to increase the accuracy in the measurements at low concentrations as well as to provide information on ordering at intermediate and high hydrogen concentrations. The thermodynamic properties and the electrical resistivity of VH are strongly affected by the choice of boundary layers. For example, when hydrogen is absorbed in V embedded by Fe, Cr or Mo in the form of superlattices, both the thermodynamic properties and the changes in the resistivity are strongly influenced. The critical temperature and H-H interactions of hydrogen in thin V(001) layers are found to increase with thickness of the thin films and superlattices. The observed finite size effects resemble same scaling with the thickness of the layers as does the magnetic ordering temperature. The results were validated by investigations of isotope effects in the obtained thermodynamic properties. Close to negligible effects are obtained when replacing hydrogen by deuterium, with respect to the thermodynamic properties. These observations are rationalised by an octahedral occupancy in the strained layers, as compared to tetrahedral occupancy in unstrained bulk. The octahedral site occupancy is found to strongly alter the diffusion coefficient of hydrogen in thin V layers.

published_or_final_version / Mathematics / Master / Master of Philosophy

published_or_final_version / Chemistry / Doctoral / Doctor of Philosophy

The nature of undergraduates' ideas about thennodynamics and the everyday basis of those ideas was investigated. A sample of fourteen Portuguese undergraduate students in their last year of university studies in physics and chemistry (teacher training) were interviewed individually about five chemical phenomena. The results showed that these students found it very difficult to use thermodynamic concepts to discuss real situations. The physical reality of the situation seemed to dominate thinking. The majority of the students used criteria based mainly on observable features or everyday notions. There was very little spontaneous use of thermodynamic concepts. It was found that non-science conceptions were persistent despite formal instruction in advanced chemistry the students had received. The second experiment investigated the everyday origin of the ideas the students used and how everyday experiences and meanings and formal instruction may have influenced these ideas. It was carried out by interviewing individually ten secondary school pupils (9th and 12th grades) and five adults. The results showed that the intuitive way of thinking about the physical world influences strongly what students learn about 'new', 'abstract' and 'scientific' ways of explaining what happens in nature. The comparison of the results of both experiments showed that there was close similarity between pupils' and university students' ideas. Several reasons were put forward as explanation: (i) students are more confident using criteria based on perceivable features (ii) the context of real phenomena makes the use of theoretical knowledge difficult (iii) students spend more time dealing with 'everyday meanings' than with 'scientific meanings' (iv) the concepts are abstract and (v) science uses words also used in ordinary speech. Implications for teaching are pointed out.

No description available.

No description available.

No description available.

No description available.

No description available.