Preferential polarization and its reversal in polycrystalline BiFeO3/La0.5Sr0.5CoO3 heterostructures

Polycrystalline BiFeO3 thin films were grown on La0.5Sr0.5CoO3 buffered Pt (200)/TiO2/SiO2/Si substrates under different oxygen partial pressures (10, 25, 50 and 100 mTorr) by puked laser ablation. Piezo-response Force Microscopy and Piezo-Force Spectroscopy have shown that all the films are ferroelectric in nature with locally switchable domains. It has also revealed a preferential downward domain orientation in as-grown films grown under lower oxygen partial pressure (10 and 25 mTorr) with a reversal of preferential domain orientation as the oxygen partial pressure is increased to 100 mTorr during laser ablation. Such phenomena are atypical of multi-grained polycrystalline ferroelectric films and have been discussed On the basis of detect formation with changing growth conditions. For the 50 mTorr grown film, asymmetric domain stability and retention during write-read studies has been observed which is attributed to grain-size-related defect concentration, affecting pinning centres that inhibit domain wall motion. (C) 2015 Elsevier Ltd. All rights reserved.

Investigation of dielectric relaxation, Jahn-Teller distortion, and magnetic ordering in Y substituted Pr1-xYxMnO3 (0.1 <= x <= 0.4)

We report structural, magnetic, and dielectric properties of the perovskite compound Pr1-xYxMnO3 (0.1 <= x <= 0.4) studied using dc magnetization, ac susceptibility, neutron powder diffraction, and dielectric techniques. These compounds crystallize in orthorhombic space group (Pnma) in the temperature range 5-300 K. The Mn-O-Mn bond angle decreases with the Y substitution along with an increase in the Jahn-Teller distortion. The Jahn-Teller distortion for Pr0.9Y0.1MnO3 shows an anomalous change near 50 K, below which it falls sharply. Neutron powder diffraction patterns of all reported compositions at low temperature constitute additional magnetic Bragg peaks that suggest magnetic ordering. Magnetic reflections were indexed in the nuclear lattice with the propagation vector k = (0, 0, 0). Rietveld refinement of powder patterns conform to A type antiferromagnetic ordering where moments are aligned ferromagnetically in a-c plane and coupled nearly antiferromagnetically along b-axis resulting in a net ferromagnetic component along the b-direction. The antiferromagnetic transition temperature was deduced from dc magnetization and ac susceptibility data. The transition temperature decreases by nearly 22 K (from 81 K to 59 K) as yttrium content (x) increases from 0.1 to 0.4. Measurements reveal strong frequency dispersion in dielectric constant and dielectric loss. Activation energy and relaxation time are estimated from the Arrhenius plot. It is further shown that relaxation behaviour is altered with yttrium doping concentration. (C) 2015 AIP Publishing LLC.

Negative hyperconjugation and red-, blue- or zero-shift in X-Z center dot center dot center dot Y complexes

A generalized explanation is provided for the existence of the red-and blue-shifting nature of X-Z bonds (Z = H, halogens, chalcogens, pnicogens, etc.) in X-Z center dot center dot center dot Y complexes based on computational studies on a selected set of weakly bonded complexes and analysis of existing literature data. The additional electrons and orbitals available on Z in comparison to H make for dramatic differences between the H-bond and the rest of the Z-bonds. The nature of the X-group and its influence on the X-Z bond length in the parent X-Z molecule largely controls the change in the X-Z bond length on X-Z center dot center dot center dot Y bond formation; the Y-group usually influences only the magnitude of the effects controlled by X. The major factors which control the X-Z bond length change are: (a) negative hyperconjugative donation of electron density from X-group to X-Z sigma* antibonding molecular orbital (ABMO) in the parent X-Z, (b) induced negative hyperconjugation from the lone pair of electrons on Z to the antibonding orbitals of the X-group, and (c) charge transfer (CT) from the Y-group to the X-Z sigma* orbital. The exchange repulsion from the Y-group that shifts partial electron density at the X-Z sigma* ABMO back to X leads to blue-shifting and the CT from the Y-group to the sigma* ABMO of X-Z leads to red-shifting. The balance between these two opposing forces decides red-, zero- or blue-shifting. A continuum of behaviour of X-Z bond length variation is inevitable in X-Z center dot center dot center dot Y complexes.

The X-C---Y (X = O/F, Y = O, S, F, Cl, Br, N, P,) Carbon bond and hydrophobic interactions

While the tetrahedral face of methane has an electron rich centre and can act as a hydrogen bond acceptor, substitution of one of its hydrogens with some electron withdrawing group (such as -F/OH) can make the opposite face electron deficient. Electrostatic potential calculations confirm this and high level quantum calculations show interactions between the positive face of methanol/methyl fluoride and electron rich centers of other molecules such as H2O. Analysis of the wave functions of atoms in molecules shows the presence of an unusual C···Y interaction, which could be called 'carbon bonding'. NBO analysis and vibrational frequency shifts confirm the presence of this interaction. Given the properties of alkyl groups bonded to electronegative elements in biological molecules, such interactions could play a significant role, which is yet to be recognized. This and similar interactions could give an enthalpic contribution to what is called the 'hydrophobic interactions'.

Investigation on the origin of exchange bias in epitaxial, oriented and polycrystalline Fe3O4 thin films

We observe exchange bias (EB) in a single magnetic film Fe3O4 at temperature T < 200 K. Irrespective of crystallographic orientations of grown Fe3O4; they exhibit similar nature of EB for (100) epitaxial, (111) oriented and polycrystalline Fe3O4 thin films. Growth induced defects such as anti-phase boundaries (APBs) in epitaxial Fe3O4 thin film is known to have an influence on the magnetic interaction. But, it is noticed that according to the common consensus of APBs alone cannot explain the origin of EB. If majority of APBs end up with mainly anti-ferromagnetic interactions across these boundaries together with the internal ordering modification in Fe3O4, then EB can emerge at low temperatures. Hence, we propose the idea of directional anti-ferromagnetic APB induced EB in Fe3O4 triggered by internal ordering for T <= 200 K. Similar arguments are extended to (111) oriented as well as polycrystalline Fe3O4 films where the grain boundaries can impart same consequence as that of APBs. (C) 2015 Author(s).

Size Effects on Strength in the Transition from Single-to-Polycrystalline Behavior

During the transition from single crystalline to polycrystalline behavior, the available data show the strength increasing or decreasing as the number of grains in a cross section is reduced. Tensile experiments were conducted on polycrystalline Ni with grain sizes (d) between 16 and 140 mu m and varying specimen thickness (t), covering a range of lambda (-t/d) between similar to 0.5 and 20. With a decrease in lambda, the data revealed a consistent trend of strength being independent of lambda at large lambda, an increase in strength, and then a decrease in strength. Microstructural studies revealed that lower constraints enabled easier rotation of the surface grains and texture evolution, independent of the specimen thickness. In specimen interiors, there was a greater ease of rotation in thinner samples. Measurements of misorientation deviations within grains revealed important differences in the specimen interiors. A simple model is developed taking into account the additional geometrically necessary dislocations due to variations in the behavior of surface and interior grains, leading to additional strengthening. A suitable combination of this strengthening and surface weakening can give rise to wide range of possibilities with a decrease in lambda, including weakening, strengthening, and strengthening and weakening.

Continuum in the X-Z-Y Weak Bonds: Z= Main Group Elements

The Continuum in the variation of the X-Z bond length change from blue-shifting to red-shifting through zero-shifting in the X-Z---Y complex is inevitable. This has been analyzed by ab-initio molecular orbital calculations using Z= Hydrogen, Halogens, Chalcogens, and Pnicogens as prototypical examples. Our analysis revealed that, the competition between negative hyperconjugation within the donor (X-Z) molecule and Charge Transfer (CT) from the acceptor (Y) molecule is the primary reason for the X-Z bond length change. Here, we report that, the proper tuning of X-and Y-group for a particular Z-can change the blue-shifting nature of X-Z bond to zero-shifting and further to red-shifting. This observation led to the proposal of a continuum in the variation of the X-Z bond length during the formation of X-Z---Y complex. The varying number of orbitals and electrons available around the Z-atom differentiates various classes of weak interactions and leads to interactions dramatically different from the H-Bond. Our explanations based on the model of anti-bonding orbitals can be transferred from one class of weak interactions to another. We further take the idea of continuum to the nature of chemical bonding in general. (C) 2015 Wiley Periodicals, Inc.

Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N = 3n + 1 approximate to 500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with N-A not equal N-B. The ground state (GS) and spin densities rho(r) = < S-r(z)> at site r are quite different for junctions with S = 1/2, 1, 3/2, and 2. The GS has finite total spin S-G = 2S(S) for even (odd) N and for M-G = S-G in the S-G spin manifold, rho(r) > 0(< 0) at sites of the larger (smaller) sublattice. S = 1/2 junctions have delocalized states and decreasing spin densities with increasing N. S = 1 junctions have four localized S-z = 1/2 states at the end of each arm and centered on the junction, consistent with localized states in S = 1 chains with finite Haldane gap. The GS of S = 3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S = 1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S = 3/2 or 2 junctions.

A meso elastoplastic constitutive model for polycrystalline metals based on equivalent slip systems with latent hardening

A meso material model for polycrystalline metals is proposed, in which the tiny slip systems distributing randomly between crystal slices in micro-grains or on grain boundaries are replaced by macro equivalent slip systems determined by the work-conjugate principle. The elastoplastic constitutive equation of this model is formulated for the active hardening, latent hardening and Bauschinger effect to predict macro elastoplastic stress-strain responses of polycrystalline metals under complex loading conditions. The influence of the material property parameters on size and shape of the subsequent yield surfaces is numerically investigated to demonstrate the fundamental features of the proposed material model. The derived constitutive equation is proved accurate and efficient in numerical analysis. Compared with the self-consistent theories with crystal grains as their basic components, the present theory is much simpler in mathematical treatment.

Comparación de calidad en la producción de carbón vegetal entre la fosa de tierra y el horno de ladrillo, en la finca el plantel Masaya

La presente investigación tuvo como objetivo comparar la producción de calidad de carbón vegetal entre la fosa de tierra y el horno de ladrillo utilizando Eucalyptus camaldulensis, empleando dos categorías diamétricas. La metodología utilizada consistió en la selección del material vegetal para la producción de carbón, se seleccionaron árboles con diámetros entre 20-30 cm. y mayores de 30 cm. por cada categoría diamétrica se emplearon cinco árboles para un total de diez individuos, se tumbaron los árboles con la técnica de tala dirigida, con hacha a partir de 0.30 cm. del suelo con el propósito de aprovechar la mayor cantidad de madera del árbol, se procedió a medir la longitud de la troza en metros empleando una cinta métrica para la medición del diámetro medio. Luego se procedió a calcular el volumen del fuste limpio utilizando la fórmula de Smalian, posteriormente se traslado trozas y ramas al sitio de carbonización, se depositaron por clase diamétrica donde se cálculo el volumen empleando la fórmula de Huber, para la cubicación de las ramas se empleo el método tradicional de metro estéreo. Para la producción de carbón vegetal se emplearon dos diseños de producción: fosa de tierra y el horno de ladrillos, el análisis de laboratorio consistió en determinar porcentaje de cenizas, carbono orgánico, densidad aparente y porcentaje de humedad. Para la clase diamétrica de 20 a 30 cm., se utilizo un volumen de 4.48 m3 y para la categoría diamétrica mayor de 30 cm, 6.55 m3. Finalizado el proceso de carbonización se obtuvieron 8 sacos en la fosa de tierra, equivalente a 0.217m3, en el horno de ladrillo se obtuvieron 18 sacos lo que representa 0.496 m3. Comparando los estándares de calidad de la FAO, con los obtenidos en este estudio, son aceptables, se concluye que el método de producción de horno de ladrillos usando arboles mayores de 30 cm es el mejor método para la producción de carbón vegetal.

Evaluación inicial de Hymenaea courbaril (Guapinol) en una plantación en la unidad de experimentación y evaluación en la finca el plantel-UNA

En la finca El Plantel ubicada en el kilómetro 31 ½ carretera Tipitapa-Masaya, en el Municipio de Nindirí departamento de Masaya Nicaragua, se realizó un estudio del establecimiento inicial de Hymeneae courbaril con el fin de conocer su comportamiento en diámetro, altura y sobrevivencia a pleno sol. La plantación se estableció en parcelas con dimensiones de 15mx15m con un distanciamiento entre plantas de 3m x 3m. El número de plantas por parcela fue de 36 para un total de 108 individuos. Se realizaron dos mediciones (Octubre del 2009 y Octubre del 2010) de las variables diámetro, altura y sobrevivencia; y un único monitoreo (en Octubre del 2010) de los daños en la plantación. Los resultados de sobrevivencia obtenidos en la plantación correspondió a un 61,6%. En la evaluación del incremento corriente anual en altura y diámetro alcanzados por la especie se muestra un comportamiento positivo con incremento corriente anual en diámetro de 4.79mm; valores de incremento corriente anual en altura de 4.80cm. Los daños registrados en la plantación corresponden principalmente a la defoliación por hormigas del genero Atta, registrándose una frecuencia del 58% de plantas afectadas.

Rendimiento en madera aserrada de trozos de cedro macho (Carapa guianensis) Aublet y Nanciton (Hyeronimaalchorneoides) Allemao , en la empresa MAPIINIC, S.A Rosita, RAAN, Nicaragua

El estudio consistió en evaluar rendimiento en madera aserrada de trozas de Cedro Macho (Carapa guianensis) Aublet y Nancitón ( Hyeronima alchorneoides) Allemao, en los dos aserríos portátiles tipo Wood Mizer LT 40 y Wood Mizer LT70, de la empresa MAPIINIC, S.A, en el municipio de Rosita (RAAN), Nicaragua. Se utilizó una base de datos del período agosto 2010-julio 2011, facilitada por la empresa, correspondientes a la cubicación de 5,570 trozas de Cedro macho y 7,785 trozas de Nancitón. Para el cálculo del volumen de la trozas se utilizó la fórmula de Smalian y para determinar el rendimiento en madera aserrada de cada especie se utilizó el volúmen promedio obtenido de las tablas sobre el volúmen promedio de la trozas, multiplicado por cien. Para Cedro macho se obtuvo un volúmen de madera aserrada de 455,722.66 pt lo que representó un rendimiento del 18.86% del volúmen en troza; para Nancitón se obtuvo un volúmen de madera aserrada de 584,698.91 pt para un rendimiento del 10.72% del volúmen en troza. En relación al rendimiento de otras especies y otros aserríos estos rendimientos se consideran bajos, atribuidos a que las trozas, por haber estado mucho tiempo tumbadas en el campo, presentaban daños que obviamente incidieron en la cantidad y calidad de madera aserrada obtenida, además que la metodología aplicada no llevó sistemáticamente el registro de cubicación de la madera aserrada por cada troza cubicada, lo que pudo influir en estos resultados.

Análisis espacial y multitemporal de la cobertura y uso del suelo con base en imágenes de satélites en la subcuenca Río Dipilto, Nueva Segovia, Nicaragua (1993, 2000, 2011)

La cuantificación del cambio de uso del suelo presenta aún altos niveles de incertidumbre, lo que repercute por ejemplo en la estimación de las emisiones de CO 2 . En este estudio se desarrollaron métodos, basados en imágenes de satélite y trabajo de campo, para estimar la tasa de cambio de la cobertura y uso del suelo, y las emisiones de CO 2 en la subcuenca río Dipilto, Nueva Segovia. La superficie de los tipos de vegetación se determinó con imágenes Landsat. Se utilizaron datos de carbono de nueve parcelas de muestreo en bosque de pino que fueron correlacionadas, para establecer un modelo de regresión lineal con el objetivo de estimar el Stock de Carbono. La sobreposición y algebra de mapas se utilizó para el escenario de emisiones de CO 2 . El análisis con imágenes de los años 1993, 2000 y 2011 reveló que durante es tos 18 años la velocidad a la que se perdieron los bosques latifoliados cerrado fue variable. Durante los primeros 7 años (1993 a 2000) se registró un aumento de 99.95 ha , que corresponde a una tasa de deforestación de - 1.45 % anual. Durante los últimos once años (2000 a 2011) esta cantidad cambió totalmente, ya que se eliminaron 331.76 h a , que corresponde a una tasa de deforestación anual de 3.41 %. Finalmente considerando el periodo de análisis, se transformaron más de 232.01 h a por año, correspondiente a u na tasa de deforestación anual de 1.55 %. La imagen de 2011 demostró que las reservas o Stock de C oscila entre 40 - 150 t/ha. Este intervalo de valores fue estimado por un modelo de regresión con razonable ajuste (R2 = 0.73 ), cuyas variables independientes fueron la reflectancia de las distintas bandas como índices de vegetación e infrarrojo cercano. Las pérdidas de C se estimaron en intervalos 1 - 191 t/h a en 20.76% del área. El 32.85% del área se mantuvo estable y 46.39% ganancias de 1 - 210 t/ha. La combinación de imágenes de resolución espacial media como son las de la serie Landsat para definir trayectorias de cambio de la cobertura del suelo, es una opción viable para la solución de interrogantes relacionadas con el cambio climático, tales como la estimación de las emisiones de CO 2 derivadas del cambio de uso del suelo.