Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

Recent advances in laser technology allow us to follow electronic motion at its natural time-scale with ultra-fast time resolution, leading the way towards attosecond physics experiments of extreme precision. In this work, we assess the use of tailored pumps in order to enhance (or reduce) some given features of the probe absorption (for example, absorption in the visible range of otherwise transparent samples). This type of manipulation of the system response could be helpful for its full characterization, since it would allow us to visualize transitions that are dark when using unshaped pulses. In order to investigate these possibilities, we perform first a theoretical analysis of the non-equilibrium response function in this context, aided by one simple numerical model of the hydrogen atom. Then, we proceed to investigate the feasibility of using time-dependent density-functional theory as a means to implement, theoretically, this absorption-optimization idea, for more complex atoms or molecules. We conclude that the proposed idea could in principle be brought to the laboratory: tailored pump pulses can excite systems into light-absorbing states. However, we also highlight the severe numerical and theoretical difficulties posed by the problem: large-scale non-equilibrium quantum dynamics are cumbersome, even with TDDFT, and the shortcomings of state-of-the-art TDDFT functionals may still be serious for these out-of-equilibrium situations

Tailored pump-probe transient spectroscopy with time-dependent density-functional theory: controlling absorption spectra

Recent advances in laser technology allow us to follow electronic motion at its natural time-scale with ultra-fast time resolution, leading the way towards attosecond physics experiments of extreme precision. In this work, we assess the use of tailored pumps in order to enhance (or reduce) some given features of the probe absorption (for example, absorption in the visible range of otherwise transparent samples). This type of manipulation of the system response could be helpful for its full characterization, since it would allow us to visualize transitions that are dark when using unshaped pulses. In order to investigate these possibilities, we perform first a theoretical analysis of the non-equilibrium response function in this context, aided by one simple numerical model of the hydrogen atom. Then, we proceed to investigate the feasibility of using time-dependent density-functional theory as a means to implement, theoretically, this absorption-optimization idea, for more complex atoms or molecules. We conclude that the proposed idea could in principle be brought to the laboratory: tailored pump pulses can excite systems into light-absorbing states. However, we also highlight the severe numerical and theoretical difficulties posed by the problem: large-scale non-equilibrium quantum dynamics are cumbersome, even with TDDFT, and the shortcomings of state-of-the-art TDDFT functionals may still be serious for these out-of-equilibrium situations

Caracterização molecular de linhagens de arroz componentes do ensaio de vcu do ano 2010/2011.

O objetivo deste trabalho foi caracterizar a diversidade genética de linhagens e cultivares de arroz componentes do ensaio de VCU de terras altas do ano agrícola 2010/2011, pertencentes do programa de melhoramento da Embrapa Arroz e Feijão

Floquet engineering the band structure of materials with optimal control theory

We demonstrate that the electronic structure of a material can be deformed into Floquet pseudobands with arbitrarily tailored shapes. We achieve this goal with a combination of quantum optimal control theory and Floquet engineering. The power and versatility of this framework is demonstrated here by utilizing the independent-electron tight-binding description of the π electronic system of graphene. We show several prototype examples focusing on the region around the K (Dirac) point of the Brillouin zone: creation of a gap with opposing flat valence and conduction bands, creation of a gap with opposing concave symmetric valence and conduction bands (which would correspond to a material with an effective negative electron-hole mass), and closure of the gap when departing from a modified graphene model with a nonzero field-free gap. We employ time-periodic drives with several frequency components and polarizations, in contrast to the usual monochromatic fields, and use control theory to find the amplitudes of each component that optimize the shape of the bands as desired. In addition, we use quantum control methods to find realistic switch-on pulses that bring the material into the predefined stationary Floquet band structure, i.e., into a state in which the desired Floquet modes of the target bands are fully occupied, so that they should remain stroboscopically stationary, with long lifetimes, when the weak periodic drives are started. Finally, we note that although we have focused on solid state materials, the technique that we propose could be equally used for the Floquet engineering of ultracold atoms in optical lattices and for other nonequilibrium dynamical and correlated systems

Modulating spin transfer torque switching dynamics with two orthogonal spin-polarizers by varying the cell aspect ratio

We study in-plane magnetic tunnel junctions with additional perpendicular polarizer for subnanosecond-current-induced switching memories. The spin-transfer-torque switching dynamics was studied as a function of the cell aspect ratio both experimentally and by numerical simulations using the macrospin model. We show that the anisotropy field plays a significant role in the dynamics, along with the relative amplitude of the two spin-torque contributions. This was confirmed by micromagnetic simulations. Real-time measurements of the reversal were performed with samples of low and high aspect ratio. For low aspect ratios, a precessional motion of the magnetization was observed and the effect of temperature on the precession coherence was studied. For high aspect ratios, we observed magnetization reversals in less than 1 ns for high enough current densities, the final state being controlled by the current direction in the magnetic tunnel junction cell.Comment: 6 pages, 7 figure

Genome wide association study for beef tenderness in Polled Nellore cattle.

Publicação on-line

Estimativas de (co)variâncias genéticas de características de carcaça e maciez da carne em bovinos Nelore mocho.

Objetivou-se estimar as variâncias e covariâncias genéticas para área de olho de lombo (AOL), espessura de gordura na garupa (P8) e entre a 12º e 13º costela (EG) e maciez da carne (WBSF) de 415 bovinos da raça Nelore mocho, com idade variando de 24 a 26 meses, filhos de 22 touros acasalados com 552 vacas, provenientes do Programa OB Choice da Marca OB.Pôster - graduação

Estimativas de parâmetros genéticos de características de carcaça e maciez da carne em bovinos da raça Nelore mocho.

Objetivou-se com este estudo estimar as herdabilidades e correlações genéticas entre a característica de maciez da carne (WBSF - Warner-Bratzler shear force) e as características de carcaça EG, P8 E AOL (espessura de gordura na costela, espessura de gordura na garupa e área de olho de lombo, respectivamente) de 415 animais com idade variando de 24 a 26 meses, filhos de 22 touros acasalados com 552 vacas, provenientes do Programa OB Choice da Marca OB.Pôster - pós-graduação

The metabolism of lake plankton does not support the metabolic theory of ecology

We tested if the metabolic theory of ecology (MTE) correctly predicts plankton metabolism in a temperate lake, based on a long-term (about 15 years), high-frequency dataset of body size, abundance and production, using two different techniques: least squares regression and maximum likelihood. For phytoplankton, the general fit was relatively poor (r 2 0 0.53). The assumption of the MTE on temperature dependence of metabolism was not supported, and the assumed value of 3 ⁄ 4 of the allometric exponent was barely within 95% confidence limits. For some of the models, the value of b was significantly higher than 3 ⁄ 4 . When radiation was included as an additional predictor, it improved the model considerably (r 2 00.67). Including grazing by zooplankton reduced the model residuals during the summer period, when grazing is a dominant factor. The allometric exponent had virtually no effect for phytoplankton, due to little variability in average individual size. Zooplankton production, on the other hand, was better predicted by MTE, showing stronger effects of temperature and body size, the average of which varied by a factor of more than a hundred. However, the best-fitting value of the allometric exponent for zooplankton was 0.85, and significantly higher than the 3 ⁄ 4 predicted by the theory. The ratio of observed production to biomass for the entire plankton community declined linearly with the body size (in log-log) with a slope corresponding to a value of b 00.85. We conclude that the MTE has little predictive power for the metabolism of lacustrine plankton, in particular for phytoplankton, and especially at the scale of variability of this study, and that this could be improved by incorporating radiation into the model

Genetic correlations estimate between meat tenderness, growth and carcass traits in a population of polled nellore cattle in Brazil.

Growth, carcass and tenderness data from 415 Polled Nellore animals were analyzed in order to estimate the genetic correlations between tenderness (WBSF) and growth (ILW, FLW and ADG) and carcass (BF, RF and LMA) traits. The covariance components and genetic parameters were estimated using the Gibbs Sampling method. The heritability estimated for WBSF was of low magnitude (0.11 ± 0.022). The genetic correlations between WBSF and the other traits were of low magnitude, with values of - 0.15; -0.18; -0.13; 0.10; -0.12 and 0.18, between WBSF and ILW, FLW, ADG, BF, RF and LMA, respectively. The results support the conclusion that selection for improved tenderness will not affect genetic progress in other economic traits and vice-versa, but more studies are required for a better knowledge of the genetic relationships between meat tenderness and other traits for Polled Nellore cattle