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Learners of chemistry experience problems with the understanding of chemical reactions. One of the causes of this difficulty to understand chemical reactions seems to be that learners do not visualise them, or they do not know how to visualise them. The study aims at probing the learners' perceptions of visual models of sub-microscopic entities (atoms, ions, and molecules), to identify problems they encounter when trying to visualise and to understand chemical reactions. The empirical survey was conducted amongst 100 physical science Grade 11 learners from four high schools in the Bojanala West region near Rustenburg in the North-West Province, South Africa. The investigation was done by means of a questionnaire. The results of the questionnaire were used to identify alternative conceptions and problems that hampered learners' visualisation process. The results indicated that learners had problems with visualisation of the structure and the interaction of basic entities such as atoms, ions and molecules in chemical reactions. This had a negative effect on their understanding of chemical reactions and chemistry. / Thesis (M.Ed.)--North-West University, Potchefstroom Campus, 2006.

Optical lattices make it possible to trap and coherently control large ensembles of ultracold atoms. They provide the possibility to create lattice potentials that mimic the structure of solid-state systems, and to control these potentials dynamically. In this thesis, we study how dynamical manipulations of the lattice geometry can be used to perform different tasks, ranging from quantum information processing to the creation of diatomic molecules. We first examine the dynamical properties of ultracold atoms trapped in a lattice whose periodicity is dynamically doubled. We derive a model describing the dynamics of the atoms during this process, and compute the different interaction parameters of this model. We investigate different ways of using this lattice manipulation to optimise the initialisation time of a Mott-insulating state with one atom per site, and provide a scaling law related to the interaction parameters of the system. We go on to show that entangling operations between the spin of adjacent atoms are realisable with optical lattices forming arrays of double-well potentials. We study the creation of a lattice containing a spin-encoded Bell-pair in each double-well, and show that resilient, highly-entangled many-body states are realisable using lattice manipulations. We show that the creation of cluster-like states encoded on Bell-pairs can be achieved using these systems, and we provide measurement networks that allow the execution of quantum algorithms while maintaining intact the resilience of the system. Finally, we investigate the possibility to create a diatomic molecular state and simulate Fermi systems via the excitation to Rydberg levels of ground-state atoms trapped in optical lattices. We develop a method based on symbolical manipulations to compute the interaction parameters between highly-excited electrons, and evaluate them for different electronic configurations. We use these parameters to investigate the existence of diatomic molecular states with equilibrium distances comparable to typical lattice spacings. Considering the possibility to excite atoms trapped in an optical lattice to Rydberg levels such that the electronic cloud of neighbouring atoms overlap, we propose a model describing their interactions and compute its parameters. If such systems were realised, they would allow the simulation of Fermi systems at a temperature much below the Fermi temperature, thus enabling the observation of quantum phenomena hitherto inaccessible with current technology.

We observed the [C II] line in 15 lensed galaxies at redshifts 1 < z <. 3 using HIFI on the Herschel Space Observatory and detected 14/15 galaxies at 3 sigma or better. High magnifications enable even modestly luminous galaxies to be detected in [C II] with Herschel. The [C II] luminosity in this sample ranges from 8x10(7) L-circle dot to 3.7x10(9) L-circle dot (after correcting for magnification), confirming that [C II] is a strong tracer of the ISM at high redshifts. The ratio of the [C II] line to the total far-infrared (FIR) luminosity serves as a measure of the ratio of gas to dust cooling and thus the efficiency of the grain photoelectric heating process. It varies between 3.3% and 0.09%. We compare the [C II]/FIR ratio to that of galaxies at z = 0 and at high redshifts and find that they follow similar trends. The [C II]/FIR ratio is lower for galaxies with higher dust temperatures. This is best explained if increased UV intensity leads to higher FIR luminosity and dust temperatures, but gas heating does not rise due to lower photoelectric heating efficiency. The [C II]/FIR ratio shows weaker correlation with FIR luminosity. At low redshifts highly luminous galaxies tend to have warm dust, so the effects of dust temperature and luminosity are degenerate. Luminous galaxies at high redshifts show a range of dust temperatures, showing that [C II]/FIR correlates most strongly with dust temperature. The [C II] to mid-IR ratio for the HELLO sample is similar to the values seen for low-redshift galaxies, indicating that small grains and PAHs dominate the heating in the neutral ISM, although some of the high [CII]/FIR ratios may be due to turbulent heating.

Dans les année récentes, les systèmes d'atomes froids ont été reconnus comme des outils prometteurs pour réaliser des simulateurs quantiques, ainsi que pour différentes applications en information quantique. Parmi eux notamment la jonction Josephson bosonique, un système de bosons ultrafroids dilués pouvant occuper deux modes, a été employée pour réaliser un interféromètre atomique, qui a permi d'estimer un déphasage avec une précision dépassant la limite classique. Dans cette thèse, nous étudions d'un point de vue théorique la production, la détection et la décohérence d'états intriqués qui peuvent être utilisés pour l'interférométrie de haute précision dans une jonction Josephson bosonique. Parmi ces états quantiques utiles se trouvent les états comprimés et les superpositions macroscopiques d'états cohérents. Dans la première du manuscrit, nous démontrons que les superpositions macroscopiques d'états cohérents peuvent être créées pendant la dynamique qui suit un arrêt soudain du couplage entre les deux modes de la jonction, puis nous étudions des protocoles de détection expérimentale. Il existe inévitablement dans chaque expérience des sources de bruit, les principaux étant le bruit de phase, induit par des fluctuations des énergies des deux modes, et la perte d'atomes. La présence de bruit induit de la décohérence et dégrade les corrélations quantiques des états manipulés. Dans la deuxième partie du manuscrit nous analysons en détail la façon dont les corrélations quantiques utiles des états comprimés et des superpositions macroscopiques sont dégradées par le bruit de phase. Nous montrons que, pour des intensités de bruit modérées, les superpositions d'états cohérents à plusieurs composantes sont des candidats intéressantes pour l'interférométrie de précision. Enfin, nous étudions l'effet de la perte d'atomes sur la formation des superpositions macroscopiques, en montrant comment la décohérence agit sur la matrice densité du système / In recent years, cold atomic systems have been recognized as very promising tools for quantum simulators and for applications in quantum technology. In particular, a Bose Josephson junction (BJJ) - a system of ultracold dilute bosons which can occupy two modes - has been used to realize an atomic interferometer, allowing to estimate a phase shift with a precision beyond the classical limit. In this thesis we study theoretically the production, detection and decoherence of entangled states which can be used for high-precision interferometry in a Bose Josephson junction. Among such useful quantum states are atomic squeezed states and macroscopic superpositions of coherent states. In the first part of the thesis, after demonstrating that macroscopic superpositions of coherent states can be created during the dynamics following a "quench" of the coupling between the two modes of the junction, we study protocols for their experimental detection. In the experiments there are unavoidable sources of noise, the major sources being phase noise, induced by stochastic fluctuations of the energies of the two modes of the BJJ, and particle losses. The presence of noise induces decoherence and degrades the quantum correlations of these states. In the second part of the thesis we analyze in detail how the useful quantum correlations of squeezed states and macroscopic superpositions are degraded by phase noise. We show that for moderate phase noise intensities multicomponent superpositions of coherent states are interesting candidates for high-precision atom interferometry. Finally, we address the effect of atom losses on the formation of macroscopic superpositions, showing how decoherence affects the system density matrix.

Átomos alcalinos são boas sondas para compreender as propriedades do He líquido. Considerável atenção experimental tem sido empregada para analisar as mudanças da posição e da largura da linha do espectro de absorção de átomos alcalinos imersos em um ambiente de He líquido. No lado teórico, vários estudos têm usado modelos simplificados como o modelo de bolhas e o modelo de agregado. Considerações de modelos mais realista agora são oportunas e relevantes. Neste trabalho, nós usamos a combinação da simulação de Monte Carlo (MC) e cálculos ab-initio de mecânica quântica (MQ). As configurações do líquido foram geradas para cálculos posteriores de MQ.Umimportante aspecto é a complexa interação interatômica do par He-He. Usando potenciais parametrizados, as simulações clássicas de MC foram efetuadas para sistemas alcalinos (Na, Rb, Cs e Na2) em He líquido e as condições foram T = 3 K e p = 1 atm. Estruturas estatisticamente descorrelacionadas formadas por um elemento alcalino central, envolvido pela primeira camada de solvatação completa, são amostradas e submetidas em um cálculo do espectro com DFT dependente do tempo usando diferentes funcionais híbridos e conjuntos de bases. Usando os funcionais PBE1PBE e O3LYP com conjuntos de bases extensos obtemos o deslocamento espectral em excelente concordância com os resultados experimentais para os sistemas de um único átomo alcalino. Para comparação, também usamos um modelo de agregado com 14 átomos de He em volta do átomo alcalino obtendo excelentes resultados também. O raio do modelo de agregado convergiu para perto do máximo da primeira camada de solvatação da função de distribuição radial. Um ponto adicional a ser considerado é o cálculo da largura da linha obtido com a simulação em He líquido que é discutida neste trabalho. Para o átomo de Rb, a energia de excitação em He líquido é em torno de -18,9 nm. Com a simulação em ambiente de He líquido obtivemos os melhores resultados entre -16,3 nm e -23,3 nm. O valor do deslocamento espectral usando o modelo de agregado ficou entre os -17,3 nm e - 22,3 nm. Os dois modelos apresentam o mesmo raio da bolha, por volta de 6-7Å. Para outros sistemas, como Na e Cs, encontramos a mesma convergência entre o modelo de agregado, a simulação do He líquido e os resultados experimentais. Para o sistema contendo Na2, os valores obtidos ficaram em boa concordância com os valores experimentais. / Alkali atoms are good probes for the understanding of liquid He properties. As such considerable experimental attention has been devoted to the analysis of the changes of line position and widths of the absorption spectra of alkali atoms in liquid He environment. On the theoretical side, several studies have used simplified models such as bubble and cluster models. Considerations of more realistic models are now timely and relevant. In this work, we use a combination of Monte Carlo (MC) simulation and ab initio quantum mechanical (QM) calculations. Liquid configurations are generated for subsequent QM calculations. One important aspect is the consideration of the complex interatomic interaction of the He-He pair. Using parametrized potentials, classical MC simulations are made for the alkali systems (Na, Rb, Cs and Na2) in liquid He. The conditions were T=3K and p=1 atm. Statistically uncorrelated configurations composed of a central alkaline element, surrounded by the full first solvation shell, are sampled and submitted to time-dependent DFT calculations of the spectrum using dierent hybrids functionals and dierents basis sets. Using the PBE1PBE and O3LYP functionals with large basis sets we obtained a spectral shift in excellent agreement with experiment for the systems of single alkaline atom. For comparison, we also used a cluster model and obtained 14 He atoms around the alkali atom with excellent results too. The radius of the cluster model converged to a value close to the maximum of the first solvation shell in radial distribution function. An additional point considered is the calculation of the spectral line width using the liquid simulation also discussed in this work. For Rb atom, the excitation energy in liquid He is about -18.9 nm. With the liquid He environment simulation we obtained the best results between -16.3 nm and -23.3 nm. The values of the spectral shift using the cluster model were between -17.3 nm and 22.3 nm. The two models show the same bubble radius, about 6-7Å. For the others system, like Na and Cs, we found the same convergence between the cluster model, the simulation of the He liquid and the experimental results. For Na2, the values obtained were in good agreement to the experimental values.

Espectroscopia atômica em uma armadilha magneto-ótica / Atomic spectroscopy in a magneto-optical trap

O trabalho trata da desaceleração de feixes de átomos neutros de Sódio, pela técnica de sintonia Zeeman. O processo de desaceleração é estudado em detalhes e demonstrado com a utilização de um único laser. É feito o estudo do seguimento adiabático do átomo em relação ao campo magnético e demonstrada sua importância no processo de produção de fluxos intensos de átomos lentos. A posição em que os átomos param foi modificada, através da mudança do perfil do campo magnético onde os átomos se movimentam, levando-os para uma região de fácil acesso. A forma peculiar da distribuição espacial dos átomos ao atingirem o repouso é explicada e, finalmente, é estudada a focalização dos átomos, através de um campo magnético hexapolar, e o aprisionamento de átomos em uma armadilha magnética / This work describes the deceleration a sodium atoms beam by means of the Zeeman tuning technique. The deceleration process is studied in details and its demonstration is made using a single laser. We have studied and present the adiabatic following of the atoms along the magnetic field and its relevance to produce slow, high density, flux of neutral atoms. The atoms\' stopping position was varied, by changing the magnetic field profile, in a way to produce slows atoms outside the solenoid. The peculiar shape of the atomic spatial distribution of atoms at rest is explained, the focusing of atoms though a hexapole magnetic field is studied and the trapping of atoms in a magnetic trap is demonstrated

Neste trabalho pela primeira vez, desaceleramos um feixe de Cs pela Técnica de Sintonia Zeeman. Usamos um laser de diodo contrapropagante ao feixe atômico. Essa técnica se baseia na utilização de um campo magnético de perfil espacial parabólico para compensar o efeito Doppler e manter o átomo ressonante com o laser durante o processo de desaceleração. Conseguimos reduzir a velocidade dos átomos até C 940cm/s. Para medir essa velocidade usamos uma técnica simples, diferente da usual, que utiliza um feixe de prova. Com o nosso magneto, não foi possível desacelerar átomos com velocidade acima de 12000 cm/s. O limite de campo magnético em que tivemos que trabalhar corresponde à campo fraco, para o estado fundamental do Cs. Esse fato acarreta um aumento na probabilidade de ocorrerem transições erradas. Observamos a presença de um intervalo de \"detuning\" útil, fora do qual não conseguimos desacelerar. Esse intervalo também está relacionado com o limite máximo de velocidades para que haja desaceleração. Chegamos a esse intervalo através de simulações feitas para encontrar os parâmetros necessários à desaceleração. Os resultados obtidos experimentalmente estão de acordo com o que foi previsto pela simulação. Paralelamente à desaceleração de CS, preparamos os lasers de diodo e reduzimos sua largura de linha. Entretanto não usamos o laser estreito para a desaceleração. A fim de trabalharmos com espectroscopia de alta resolução reduzimos a largura de linha do laser a semicondutor fazendo um acoplamento da cavidade laser com uma cavidade, Fabry-Pérot, externa. Conseguimos estreitar a largura de linha até 500KHz. Esse resultado nos possibilitará investigar as linhas do Cs, aprisionado em um \"trap\" magnético-óptico, experimento este que já está em andamento em nosso laboratório / In this work for the first time, slow a beam of Cs by the Zeeman tuning technique. We use a laser diode contrapropagante the atomic beam. This technique is based on the use of a magnetic field of parabolic spatial profile to compensate for the Doppler effect and keep the atoms resonant with the laser during the downturn. We reduce the speed of C atoms to 940cm / s. To measure this speed we use a simple technique, different from the usual, which uses a beam of evidence. With our magnet, could not slow down atoms with speeds up to 12,000 cm / s. The limit of magnetic field we had to work corresponds to the weak field for the ground state of Cs. This fact implies an increase in the probability of transitions wrong. We observed a range of \"detuning\" useful, out of which we cannot slow down. This range is also related to the maximum speed for there to be slowing. We arrived in this range through simulations to find the parameters needed for deceleration. The results obtained experimentally are in agreement with what was predicted by the simulation. Parallel to the slowdown of CS, we prepared the diode lasers and reduced its line width. However do not use the laser close to the slowdown. In order to work with high-resolution spectroscopy reduced the line width of the semiconductor laser causing a coupling of the laser cavity with a cavity, Fabry-Pérot, external. We narrow the line width up to 500KHz. This result will enable us to investigate the lines of Cs, trapped in a \"trap\" magneto-optical experiment that is already underway in our laboratory

Over the past several decades, rapid progress has been made toward the accurate characterization and control of atoms, made possible largely by the development of narrow-linewidth lasers and techniques for trapping and cooling at ultracold temperatures. Extending this progress to molecules will have exciting implications for chemistry, condensed matter physics, and precision tests of physics beyond the Standard Model. These possibilities are all consequences of the richness of molecular structure, which is governed by physics substantially different from that characterizing atomic structure. This same richness of structure, however, increases the complexity of any molecular experiment manyfold over its atomic counterpart, magnifying the difficulty of everything from trapping and cooling to the comparison of theory with experiment. This thesis describes work performed over the past six years to establish the state of the art in manipulation and quantum control of ultracold molecules. Our molecules are produced via photoassociation of ultracold strontium atoms followed by spontaneous decay to a stable ground state. We describe a thorough set of measurements characterizing the rovibrational structure of very weakly bound (and therefore very large) ⁸⁸Sr₂ molecules from several different perspectives, including determinations of binding energies; linear, quadratic, and higher order Zeeman shifts; transition strengths between bound states; and lifetimes of narrow subradiant states. The physical intuition gained in these experiments applies generally to weakly bound diatomic molecules, and suggests extensive applications in precision measurement and metrology. In addition, we present a detailed analysis of the thermally broadened spectroscopic lineshape of molecules in a non-magic optical lattice trap, showing how such lineshapes can be used to directly determine the temperature of atoms or molecules in situ, addressing a long-standing problem in ultracold physics. Finally, we discuss the measurement of photofragment angular distributions produced by photodissociation, leading to an exploration of quantum-state-resolved ultracold chemistry.