Conservation of open solar magnetic flux and the floor in the heliospheric magnetic field

The near-Earth heliospheric magnetic field intensity, |B|, exhibits a strong solar cycle variation, but returns to the same ``floor'' value each solar minimum. The current minimum, however, has seen |B| drop below previous minima, bringing in to question the existence of a floor, or at the very least requiring a re-assessment of its value. In this study we assume heliospheric flux consists of a constant open flux component and a time-varying contribution from CMEs. In this scenario, the true floor is |B| with zero CME contribution. Using observed CME rates over the solar cycle, we estimate the ``no-CME'' |B| floor at ~4.0 +/- 0.3 nT, lower than previous floor estimates and below |B| observed this solar minimum. We speculate that the drop in |B| observed this minimum may be due to a persistently lower CME rate than the previous minimum, though there are large uncertainties in the supporting observational data.

Correlation of magnetic field intensities and solar wind speeds of events observed by ACE

The relationship between the magnetic field intensity and speed of solar wind events is examined using ∼3 years of data from the ACE spacecraft. No preselection of coronal mass ejections (CMEs) or magnetic clouds is carried out. The correlation between the field intensity and maximum speed is shown to increase significantly when |B| > 18 nT for 3 hours or more. Of the 24 events satisfying this criterion, 50% are magnetic clouds, the remaining half having no ordered field structure. A weaker correlation also exists between southward magnetic field and speed. Sixteen of the events are associated with halo CMEs leaving the Sun 2 to 4 days prior to the leading edge of the events arriving at ACE. Events selected by speed thresholds show no significant correlation, suggesting different relations between field intensity and speed for fast solar wind streams and ICMEs.

Absolute Thellier paleointensities from Ponta Grossa dikes (southern Brazil) and the early Cretaceous geomagnetic field strength

We report a detailed rock magnetic and Thellier paleointensity study from similar to 130.5 Ma Ponta Grossa Dike Swarms in Southern Brazil. Twenty-nine samples from seven cooling units were pre-selected for paleointensity experiments based on their low viscosity index, stable remanent magnetization and close to reversible continuous thermomagnetic curves. 19 samples characterized by negative pTRM tests, Arai concave- up curves or positive pTRM tests with NRM loss uncorrelated with TRM acquisition were rejected. High quality reliable paleointensity determinations are determined from detailed evaluation criteria, with 10 samples belonging to three dikes passing the tests. The site-mean paleointensity values obtained in this study range from 25.6 +/- 4.3 to 11.3 +/- 2.1 mu T and the corresponding VDM`s range from 5.7 +/- 0.9 to 2.5 +/- 0.5 (10(22) Am(2)). These data yield a VDM mean value of 4.1 +/- 1.6 x 10(22) Am(2). Significant variability of Earth`s magnetic field strength is observed for Ponta Grossa Dikes with the mean value being significantly lower as compared to the mean VDM obtained from the nearby Parana Magmatic Province. The paleointensities for the Ponta Grossa Dikes are in agreement with absolute paleointensities retrieved from the submarine basaltic glasses from 130 to 120 Ma. It seems that a relatively low field prevailed just before the Cretaceous Normal Superchron.

Electronic states in quantum rings: electric field and eccentricity effects

The polarization effects of in-plane electric fields and eccentricity on electronic and optical properties of semiconductor quantum rings (QRs) are discussed within the effective-mass approximation. As eccentric rings may appropriately describe real (grown or fabricated) QRs, their energy spectrum is studied. The interplay between applied electric fields and eccentricity is analysed, and their polarization effects are found to compensate for appropriate values of eccentricity and field intensity. The importance of applied fields in tailoring the properties of different nanoscale materials and structures is stressed.

Numerical simulation of magnetic-field-enhanced plasma immersion ion implantation in cylindrical geometry

Recent studies have demonstrated that the sheath dynamics in plasma immersion ion implantation (PIII) is significantly affected by an external magnetic field. In this paper, a two-dimensional computer simulation of a magnetic-field-enhanced PHI system is described. Negative bias voltage is applied to a cylindrical target located on the axis of a grounded vacuum chamber filled with uniform molecular nitrogen plasma. A static magnetic field is created by a small coil installed inside the target holder. The vacuum chamber is filled with background nitrogen gas to form a plasma in which collisions of electrons and neutrals are simulated by the Monte Carlo algorithm. It is found that a high-density plasma is formed around the target due to the intense background gas ionization by the magnetized electrons drifting in the crossed E x B fields. The effect of the magnetic field intensity, the target bias, and the gas pressure on the sheath dynamics and implantation current of the PHI system is investigated.

Magnetic field in the outskirts of PSZ2 G096.88+24.18 from depolarization analysis of radio relics

Radio relics are one of the different types of diffuse radio sources present in a fraction of galaxy clusters. They are characterized by elongated arc-like shapes, with sizes that range between 0.5 and 2 Mpc, and highly polarized emission (up to ∼60%) at GHz frequencies The linearly polarized radiation of relics, moving through a magnetized plasma which is the ICM, is affected by the rotation of the linear polarization vector. This effect, known as “Faraday rotation”, can cause depolarization. The study of this effect allows us to constrain the magnetic field projected along the line of sight. The aim of this thesis work is to constrain the magnetic field intensity and distribution in the periphery of the cluster PSZ2 G096.88+24.18: this cluster hosts a pair of radio relics that can be used for polarization analysis. To analyse the polarization properties of the relics in PSZ2 G096.88+24.18 radio relics we used new Jansky Very Large Array (VLA) observations together with archival observations. The polarization study has been performed using the Rotation Measure Synthesis technique, which allows us to recover polarization, minimizing the bandwidth depolarization. Thanks to this technique, we recovered more polarization from the southern relic (with respect to provious works), We studied also the depolarization trend with the resolution for the southern relic, and found that the polarization fraction decreases with the beamsize. Finally, we have produced simulated magnetic fields models, varying the auto-correlation lengths of the magnetic field, in order to reproduce the observed depolarization trend in the southern relic. Comparing our observational results and model predictions, we were able to constrain the scales over which the turbulent magnetic field varies within the cluster. We conclude that the depolarization observed in the southern relic is likely due to external depolarization caused by the magnetized ICM distribution within the cluster.

Millennial and orbital variations of El Nino/Southern Oscillation and high-latitude climate in the last glacial period

The El Nino/Southern Oscillation (ENSO) phenomenon is believed to have operated continuously over the last glacial interglacial cycle(1). ENSO variability has been suggested to be linked to millennial-scale oscillations in North Atlantic climate during that time(2,3), but the proposals disagree on whether increased frequency of El Nino events, the warm phase of ENSO, was linked to North Atlantic warm or cold periods. Here we present a high-resolution record of surface moisture, based on the degree of peat humification and the ratio of sedges to grass, from northern Queensland, Australia, covering the past 45,000 yr. We observe millennial-scale dry periods, indicating periods of frequent El Nino events ( summer precipitation declines in El Nino years in northeastern Australia). We find that these dry periods are correlated to the Dansgaard - Oeschger events - millennial-scale warm events in the North Atlantic climate record - although no direct atmospheric connection from the North Atlantic to our site can be invoked. Additionally, we find climatic cycles at a semiprecessional timescale (, 11,900 yr). We suggest that climate variations in the tropical Pacific Ocean on millennial as well as orbital timescales, which determined precipitation in northeastern Australia, also exerted an influence on North Atlantic climate through atmospheric and oceanic teleconnections.

Effect of the Bloch-Siegert shift in a strongly driven transition: Asymmetric Autler-Townes profile

Under the conditions of the rotating wave approximation (RWA), a transition strongly driven by a resonant oscillating field displays the well known symmetric Autler-Townes doublet. However, if the counter-rotating component, neglected in the RWA, is taken into account, the Bloch-Siegert shift gives rise to an Autler-Townes doublet of unequal intensity even in the case of a resonant driving field. This effect is investigated theoretically in a V-shaped three-level double-resonance configuration and the results are presented in this paper. An interesting observation is that the level of asymmetry not only depends on the driving-field intensity but also on the characteristics of the driven system including relaxation rates and equilibrium population distributions.

Desenvolvimento de um fantoma cerebral para ressonância magnética

O controlo da qualidade em ressonância magnética (RM) passa pela realização de diversos testes ao equipamento e calibrações diárias, onde os fantomas desempenham um papel fundamental. Este trabalho teve como objetivo principal o desenvolvimento de um fantoma cerebral para um sistema de RM de intensidade 3.0 Tesla. Com base na literatura existente, escolheram-se como reagentes o cloreto de gadolínio (III) (GdCl3), a agarose, e o gelificante carragena, tendo sido ainda acrescentado o conservante químico azida de sódio (NaN3) de forma a inibir a degradação da solução. Realizaram-se vários testes com diferentes concentrações dos materiais selecionados até obter as misturas adequadas a suscetibilidade magnética das substâncias branca e cinzenta cerebrais. Os tempos de relaxação T1 das diversas substâncias desenvolvidas foram medidos, apresentando o fantoma final uns tempos de T1 de 702±10 ms, quando a concentração de GdCl3 foi de 100 µmol (substância branca) e 1179±23 ms quando a concentração foi de 15 µmol (substância cinzenta). Os valores de T1 do fantoma foram comparados estatisticamente com os tempos de relaxação conseguidos a partir de um cérebro humano, obtendo-se uma correlação de 0.867 com significância estatística. No intuito de demonstrar a aplicabilidade do fantoma, este foi sujeito a um protocolo de RM, do qual constaram as sequências habitualmente usadas no estudo cerebral. Como principais resultados constatou-se que, nas sequências ponderadas em T1, o fantoma apresenta uma forte associação positiva (rs > 0.700 p = 0.072) com o cérebro de referência, ainda que não sejam estatisticamente significativos. As sequências ponderadas em T2 demonstraram uma correlação positiva moderada e fraca, sendo a ponderação densidade protónica a única a apresentar uma associação negativa. Desta forma, o fantoma revelou-se um ótimo substituto do cérebro humano. Este trabalho culminou na criação de um modelo cerebral tridimensional onde foram individualizadas as regiões das substâncias branca e cinzenta, de forma a posteriormente serem preenchidas pelas correspondentes substâncias desenvolvidas, obtendo-se um fantoma cerebral antropomórfico.

Otimização da anisotropia fronto-calosa e ressonância magnética [1,5T] no idoso normal e com risco cérebro-vascular

RESUMO: Os mais recentes métodos de neuro imagem tal como a Ressonância Magnética (RM) permitiram obter imagens detalhadas do cérebro humano in vivo. Essas imagens revelam, muitas vezes, achados imprevistos face ao padrão normal, com elevada propensão para os indivíduos idosos e franca coexistência com fatores de risco vascular, como característica dum processo de envelhecimento normal. Embora na última década tenham surgido várias publicações sobre este assunto, ele continua ainda pouco explicado. Um pouco por todo o mundo têm emergido os programas de prevenção da doença e promoção da saúde desenvolvidos pela Saúde Pública suportadas sobretudo pelo avanço das tecnologias médicas que resultaram, entre outros impactos, num crescimento da população idosa. Estima-se, em 2030, uma composição demográfica com 20% de indivíduos acima dos 65 anos. Neste contexto, a doença microvascular cerebral é a causa mais frequente de comprometimento cognitivo vascular no idoso sendo as características senescentes na imagem por RM do tipo lesões isquémicas da Substância Branca (Leukoaraiosis) e enfartes lacunares (Status lacunar), atrofia cerebral, gliose e acumulação excessiva de ferro nos núcleos da base. Esta tese, considerando a linha de investigação de que deriva – Ciências da Vida - especialização em Medicina Clinica - Biotecnologia, reúne e reflete sobre três vertentes ligadas à RM e interdependentes em relação a uma problemática comum. A primeira trata da caracterização da Tecnologia por Ressonância Magnética existente em Portugal, a qual inclui uma avaliação exploratória da aplicação da técnica de Difusão Anisotrópica nos estudos cerebrais. As dimensões analíticas estudadas foram a Tecnológica, Sociodemográfica e Económica. Na recolha de dados recorreu-se a várias fontes de informação e a uma metodologia exploratória faseada, validada pela triangulação dos resultados. A sua análise obedeceu a critérios de estratificação e agrupamento segundo as mesmas dimensões analíticas. Otimização da anisotropia fronto-calosa e [RM 1,5T] no idoso normal e com risco cérebro-vascular A segunda descreve o estudo anátomo – radiológico que recaiu sobre parâmetros de quantificação assente na temática do cérebro do idoso em cadáver segundo uma metodologia experimental aplicada às métricas da difusão por RM. Na terceira, e última, é apresentado o estudo técnico - radiológico para avaliação e otimização da imagem ponderada em difusão em estudos clínicos associados ao cérebro do idoso “The Usual Brain Aging” ou Envelhecimento Cerebral Normal, com base metodológica assente nos critérios e indicadores estabelecidos pelo Estudo de Imagem de Roterdão (Rotterdam Scan Study - RSS). Como principais resultados obteve-se que não existem em Portugal estruturas para avaliação dos equipamentos pesados ou Agência de Avaliação das Tecnologias da Saúde para desenvolver o importante papel da produção de estudos comparativos entre os equipamentos disponíveis no mercado, a relação preço-qualidade e a sua afetação às necessidades clínico-epidemiológicas. Constatou-se que a implementação de equipamentos de RM está fortemente assente em critérios económicos carecendo de recomendações e diretivas para o uso racionalizado destas tecnologias. Quanto a dados quantitativos concluímos que a maioria dos equipamentos está instalada em instituições privadas (80,2%); a intensidade de campo magnético mais frequente é [1,5T] com 119 equipamentos; os equipamentos estão instalados maioritariamente nos distritos de Lisboa (55 unidades) e do Porto (39 unidades); o rácio médio de equipamentos por habitante em Portugal é de 1 para 65 195 habitantes; a amplitude de gradientes com maior expressão na amostra é 30-39mT/m; a maioria dos equipamentos foi instalada no intervalo temporal [2009-2012] com 59 equipamentos; apenas 6 instituições desenvolvem investigação clinica e a maioria das bobinas para estudos de crânio são do tipo Array. O estudo de otimização da técnica da difusão revelou, quanto à avaliação dos valoresb, que os mais baixos (b=500 s/mm2 e b=1000 s/mm2), apresentam maior IS e SNR sendo esta uma boa medida referente à qualidade de imagem, no entanto, os valores-b mais elevados (b=2000 s/mm2) apresentam maior CNR e CR, face aos anteriores, o Otimização da anisotropia fronto-calosa e [RM 1,5T] no idoso normal e com risco cérebro-vascular que apesar de proporcionar inferior detalhe anatómico e consequentemente inferior qualidade de imagem, num encéfalo normal, pode auxiliar na interpretação e apresentar vantagens na identificação de lesões microvasculares sempre que persistirem dúvidas em relação ao diagnóstico diferencial de doença microvascular do tipo status lacunar ou Hiperintensidades da Substância Branca. As alterações deste parâmetro são particularmente refletidas nas diferenças da avaliação da qualidade de imagem na região fronto-calos Concluímos da avaliação quantitativa da concentração média de ferro (26Fe) em todas as faixas etárias que os núcleos da base que apresentam maior concentração são, por ordem decrescente: Substância Nigra, Globus Pallidus, Putamen, Tálamo, Núcleo Rubro e Núcleo Caudado; que existe uma predominância na concentração de ferro (26Fe) no hemisfério esquerdo e que os indivíduos do género masculino apresentam mais ferro (26Fe) que os do género feminino nas faixas etárias [30-40[, [40-50[ e [50-60[. Como principal conclusão do estudo da concentração média de ferro em relação à idade destacamos que a concentração média de ferro (26Fe) é superior nos grupos etários superiores, logo aumenta com a idade, sobretudo na Substância Nigra e no Núcleo Lenticular. No estudo técnico-radiológico encontrámos evidências do aumento da difusibilidade da água na substância branca subcortical dos sujeitos idosos comparativamente aos mais jovens. Uma relação idêntica foi avaliada nos tálamos. O aumento relacionado com a idade parece ser predominantemente observado em doentes com mais de 65 anos de idade o que pode refletir alterações estruturais ligeiras associados ao envelhecimento normal. Os resultados indicam que a análise quantitativa das imagens ponderadas em difusão fornece informações, sobre a estrutura do cérebro, as quai s não estão disponíveis apenas por inspeção visual, tanto nas imagens ponderadas em difusão como em outras sequências de aplicação clínica de rotina. Para fazer face às desvantagens dos sistemas de quantificação das HSB os quais são dispendiosos, complexos, requererem tecnologia e formação específicas, recomendamos que a aplicação automatizada GUIAL, desenvolvida ao longo do nosso trabalho é de utilização elementar e prática para que seja introduzida nos sistemas de aquisição de imagem por RM com o fim de integrar o processamento de imagem nos indivíduos portadores de fatores de risco vascular. A avaliação do ADC, nesta amostra, permitiu concluir que a variação desta variável é explicada estatisticamente pela existência da condição clínica de status lacunar em ambos os hemisférios ou por outras palavras, o status lacunar influencia o valor de ADC. Embora uma pequena percentagem da variação do ADC seja explicada pelo género, o ADC nos homens foi superior ao das mulheres o que não nos surpreende, pois são também os homens onde a frequência de doença microvascular se revelou mais expressiva. Os valores do ADC, globalmente, entre os hemisférios cerebrais não mostraram alterações exceto na SB entre os idosos e não idosos. A SB da região frontal mostrou valores diminuídos na anisotropia e isotropia face às restantes áreas anatómicas. Os estudos indicam que na idade avançada existe uma maior predisposição para suscetibilidades de estrutura com status de desconexão. A classificação das HSB foi superior em indivíduos mais velhos e com status lacunar, e em menor quantidade (inferior rating de classificação) nos indivíduos idosos sem status lacunar. As alterações volumétricas foram mais frequentes no homem do que na mulher, presumivelmente devido à associação com a elevada classificação de status lacunar. Um aumento do índice de Evan correspondeu, neste estudo, ao aumento das HSB, à diminuição do volume cerebral total, à expansão ventrículo-sulcal frontal e ao aumento da medida do ângulo caloso. Estes resultados foram agravados pela classificação elevada de status lacunar nos indivíduos que apresentaram indícios de doença de pequenos vasos, com manifesto aumento dos espaços de Virchow-Robin,enfartes lacunares ou HSB. Esses resultados foram mais expressivos no género masculino do que no feminino revelando uma maior vulnerabilidade sobretudo na atrofia frontal nos homens. Por sua vez as dimensões do Corpo Caloso tornaram-se reduzidas devido à compressão dos ventrículos laterais e terceiro ventrículo. Estes indicadores tiveram expressão particularmente nos indivíduos com mais de 65 anos. ---------------------------------------------------------------------------------------------ABSTRACT: The latest neuroimaging methods, such as Magnetic Resonance Imaging (MRI), have enabled detailed images of in vivo human brain. These images reveal often unexpected findings related to the normal pattern, with high predisposition for the elderly people with forthright coexistence with vascular risk factors such as characteristics of a normal aging process. Although it has been, in the last decade, several publications on this subject, it is still little explained. All over the world have emerged disease prevention programs and health promotion developed by the Public Health sector, supported mainly by the advancement of medical technologies that have resulted, among other impacts, in a growing of the elderly population. It is estimated, in 2030, a demographic composition with 20% o people over 65 years. In this context, microvascular disease is the most common cause of cognitive vascular impairment in the elderly and senescent characteristics in the MRI trough ischemic lesions of the white matter (Leukoaraiosis) and lacunar infarcts (lacunar status), cerebral atrophy, gliosis and iron accumulation in the basal ganglia in excess.This thesis, considering the research line that stems - Life Sciences - specialization in Clinical Medicine, Biotechnology, gathers and reflects on three aspects linked to MR, interdependent and related to a common problem. The first deals with the Magnetic Resonance Technology characterization in Portugal, which includes an exploratory evaluation of the implementation of Anisotropic Diffusion technique in brain studies. The analytical dimensions studied were the Technologic, Socio-demographic and Economics. Collecting data was supported by different sources of information and was applied an exploratory methodology whose results were validated by triangulation. The research method was grouped and stratified criteria under the same analytical dimensions. The second describes the anatomical study - which was focused on radiological measurement parameters, based on the brain’s specimen under an experimental methodology applied to MRI diffusion metrics. Radiological evaluation and optimization of the weighted image diffusion in clinical studies were associated with the brain of the elderly "The Usual Brain Aging" with methodological basis based on established criteria and indicators by Rotterdam Scan Study (RSS). The main results obtained reveal the inexistence frameworks in Portugal for evaluation of equipments or Agency of Health Technology to produce studies comparing the equipment available on the market, the value for money and its allocation to clinical and epidemiological needs. It was found that the implementation of MRI equipment is strongly based on economic criteria lacking recommendations and guidelines for the rationalized use of these technologies. As the quantitative data we conclude that most of the scanners are located in private clinical institutions (80,2%); the most frequent magnetic field intensity is [1.5T] with 119 scanners; the scanners are mainly installed in Lisbon (55 units) and Porto (39 units) districts; the average ratio of equipment per capita in Portugal is 1 to 65 195 people; the gradient power with higher expression in the sample is 30-39mT / m;most of the scanners were installed in the years range [2009-2012 years] with 59 equipment; only 6 clinical placements develop clinical research and the most coils for brain studies are of Array type. The optimization study of diffusion technique revealed, as the assessment of the bvalues, the lower (b = 500 s / mm2 and b = 1000 s / mm 2), promotes an increase in the SI and SNR being this measure related to a higher image quality, however the highest b values (b = 2000 s / mm 2) have a higher CNR (Contrast to Noise-Ratio) and CR (Contrast Ratio), compared to the previous ones. This may provide less anatomical details and, thus, ower image quality, of a normal brain, however can help the interpretation and have advantages in identifying microvascular injuries when doubts persist regarding the differential diagnosis of microvascular disease of lacunar or WMH (White Matter Hyperintensities) status type. Changes on this parameter are Otimização da anisotropia fronto-calosa e [RM 1,5T] no idoso normal e com risco cérebro-vascular particularly reflected in the differences of image quality evaluation in the frontocallosum anatomical area. We conclude from the quantitative assessment of the average concentration of iron (26Fe), in all age groups to the basal ganglia, that the higher concentrations are, in descending order: Nigral Substantia, Globus pallidus, Putamen, Thalamus, Rubio nucleus and Caudate nucleus; that there is a predominance in the concentration of iron (26Fe) in the left hemisphere and that male gender show higher iron (26Fe) level tha females, in the age groups [30-40 [[40-50 [and [50- 60 [. Regarding a main conclusion of the mean concentration study of iron, in terms of age we point out that the average concentration of iron (26Fe) is higher among older groups and increases with age, especially in Nigral Substantia and Lenticular Nucleus. On the technical and radiological study we found evidence of an increased in water /diffusivity in the ubcortical white matter of the elderly compared with younger subjects. A similar relationship was assessed in the Thalamus. The increase agerelated seems to be predominantly observed in patients over 65 years which may reflect minor structural changes associated with normal aging. The results indicate that quantitative analysis of diffusion weighted imaging can provide information about the structure of the brain which is not reached only by visual inspection or standard sequences applied in clinical routine. To address the disadvantages the systems of quantification of WMH which the authors state that are costly, complex, require specific technology and training, we recommend that the automated application GUIAL, developed over our work is basic and practical to use and to be introduced in MR image systems acquisition in order to integrate image processing in patients with vascular risk factors. The evaluation of the ADC showed that its variation is statistically explained by the existence of the medical condition of lacunar status, in both hemispheres, or in other words, the lacunar status influences the ADC value. Although a small percentage of the ADC variation is explained by gender, the ADC in men was higher than women which Otimização da anisotropia fronto-calosa e [RM 1,5T] no idoso normal e com risco cérebro-vascular do not surprise us, since they are also men where the frequency of microvasculardisease has proved more significant. The values of ADC, overall, between the cerebral hemispheres showed no changes but were different in WM among the elderly and non-elderly subjects.The WM's forehead showed decreased values in anisotropy and isotropy face the other anatomical areas. The studies indicate that in old age there is a greater tendency to higher susceptibility to disconnection- status framework. The classification of WMH was higher in elderly people and lacunar status, and fewer (lower classification rating) in the elderly without lacunar status. volumetric changes were more frequent in men than in women, most probably because of its association with high lacunar status rating. An increase of Evan index corresponded, in this study, to an increase in WMH, to a decreased of total brain volume, to a ventricle sulcal frontal and callous angle expansion. These results were wound up by high ranking of lacunar status in subjects who had small vessel disease, clear increase in spaces of Virchow-Robin, lacunar infarctions or WMH. These results were more significant in males than in females revealing vulnerability particularly in the frontal atrophy in men. In turn the size of Corpus Callosum because reduced due to the compression of the lateral and third ventricles. These indicators had expression particularly in individuals over 65 years.

A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules

An analytic method to evaluate nuclear contributions to electrical properties of polyatomic molecules is presented. Such contributions control changes induced by an electric field on equilibrium geometry (nuclear relaxation contribution) and vibrational motion (vibrational contribution) of a molecular system. Expressions to compute the nuclear contributions have been derived from a power series expansion of the potential energy. These contributions to the electrical properties are given in terms of energy derivatives with respect to normal coordinates, electric field intensity or both. Only one calculation of such derivatives at the field-free equilibrium geometry is required. To show the useful efficiency of the analytical evaluation of electrical properties (the so-called AEEP method), results for calculations on water and pyridine at the SCF/TZ2P and the MP2/TZ2P levels of theory are reported. The results obtained are compared with previous theoretical calculations and with experimental values

Numerical simulation of gel electrophoresis of DNA knots in weak and strong electric fields.

Gel electrophoresis allows one to separate knotted DNA (nicked circular) of equal length according to the knot type. At low electric fields, complex knots, being more compact, drift faster than simpler knots. Recent experiments have shown that the drift velocity dependence on the knot type is inverted when changing from low to high electric fields. We present a computer simulation on a lattice of a closed, knotted, charged DNA chain drifting in an external electric field in a topologically restricted medium. Using a Monte Carlo algorithm, the dependence of the electrophoretic migration of the DNA molecules on the knot type and on the electric field intensity is investigated. The results are in qualitative and quantitative agreement with electrophoretic experiments done under conditions of low and high electric fields.

Contraction et décontraction des décharges micro-ondes entretenues à la pression atmosphérique

Les colonnes de plasma entretenues par un champ électrique (continu ou alternatif) à haute pression (p > 10 Torr) sont affectées par les phénomènes de contraction (réduction de la section radiale de la décharge) et de filamentation (fragmentation de la section de plasma en plusieurs filaments). La compréhension de ces phénomènes ainsi que le développement d’une méthode pouvant les supprimer demeurent une étape essentielle pour l’optimisation de certains procédés plasma. Dans cette optique, un premier objectif de notre travail était de déterminer les mécanismes à l’origine de la contraction et de la filamentation dans les décharges créées dans des gaz rares. Ainsi, nous avons montré que dans les plasmas micro-ondes contractés la cinétique de la décharge est contrôlée par les ions moléculaires et que la contraction est liée à l’influence du gradient de la température du gaz sur la concentration de ces ions. De plus, nous avons mis en évidence que la filamentation apparaît lorsque l’inhomogénéité radiale du champ électrique devient importante. Dans un second temps, nous avons développé une méthode de décontraction et de défilamentation de la décharge, qui consiste à ajouter à une décharge initiale de gaz rare des traces d’un autre gaz rare de plus faible potentiel d’ionisation. Dans le cas des plasmas décontractés, nous avons démontré que la cinétique de la décharge n’est plus contrôlée par les ions moléculaires, ce qui confirme bien l’importance de ces ions dans la description de la contraction. Pour terminer, nous avons étendu à la pression atmosphérique la technique d’absorption optique de mesure de densité des états métastables et résonnants à l’aide d’une lampe spectrale, ce qui n’avait été réalisé jusqu’ici que pour des pressions inférieures à 10 Torr. Ces états jouent un rôle essentiel dans l’ionisation des décharges contractées alors que dans les décharges décontractées leur désexcitation par les atomes du gaz adjuvant est l’étape fondamentale du processus de changement de cinétique menant à la décontraction.

Asymptotic model for shape resonance control of diatomics by intense non-resonant light: universality in the single-channel approximation

Non-resonant light interacting with diatomics via the polarizability anisotropy couples different rotational states and may lead to strong hybridization of the motion. The modification of shape resonances and low-energy scattering states due to this interaction can be fully captured by an asymptotic model, based on the long-range properties of the scattering (Crubellier et al 2015 New J. Phys. 17 045020). Remarkably, the properties of the field-dressed shape resonances in this asymptotic multi-channel description are found to be approximately linear in the field intensity up to fairly large intensity. This suggests a perturbative single-channel approach to be sufficient to study the control of such resonances by the non-resonant field. The multi-channel results furthermore indicate the dependence on field intensity to present, at least approximately, universal characteristics. Here we combine the nodal line technique to solve the asymptotic Schrödinger equation with perturbation theory. Comparing our single channel results to those obtained with the full interaction potential, we find nodal lines depending only on the field-free scattering length of the diatom to yield an approximate but universal description of the field-dressed molecule, confirming universal behavior.