Rational molecular dynamics scheme for predicting optimum concentration loading of nano-additive in phase change materials

The present study deals with the diffusion and phase transition behaviour of paraffin reinforced with carbon nano-additives namely graphene oxide (GO) and surface functionalized single walled carbon nanotubes (SWCNT). Bulk disordered systems of paraffin hydrocarbons impregnated with carbon nano-additives have been generated in realistic equilibrium conformations for potential application as latent heat storage systems. Ab initio molecular dynamics(MD) in conjugation with COMPASS forcefield has been implemented using periodic boundary conditions. The proposed scheme allows determination of optimum nano-additive loading for improving thermo-physical properties through analysis of mass, thermal and transport properties; and assists in determination of composite behaviour and related performance from microscopic point of view. It was observed that nanocomposites containing 7.8% surface functionalised SWCNT and 55% GO loading corresponds to best latent heat storage system. The propounded methodology could serve as a by-pass route for economically taxing and iterative experimental procedures required to attain the optimum composition for best performance. The results also hint at the large unexplored potential of ab-initio classical MD techniques for predicting performance of new nanocomposites for potential phase change material applications. (C) 2015 Author(s).

Linking monazite geochronology with fluid infiltration and metamorphic histories: Nature and experiment

Migmatised metapelites from the Kodaikanal region, central Madurai Block, southern India have undergone ultrahigh-temperature metamorphism (950-1000 degrees C; 7-8 kbar). In-situ electron microprobe Th-U-Pb isochron (CHIME) dating of monazites in a leucosome and surrounding silica-saturated and silica-poor restites from the same outcrop indicates three principal ages that can be linked to the evolutionary history of these rocks. Monazite grains from the silica-saturated restite have well-defined, inherited cores with thick rims that yield an age of ca. 1684 Ma. This either dates the metamorphism of the original metapelite or is a detrital age of inherited monazite. Monazite grains from the silica-poor restite, thick rims from the silica-saturated restite, and monazite cores from the leucosome have ages ranging from 520 to 540 Ma suggesting a mean age of 530 Ma within the error bars. In the leucosome the altered rim of the monazite gives an age of ca. 502 Ma. Alteration takes the form of Th-depleted lobes of monazite with sharp curvilinear boundaries extending from the monazite grain rim into the core. We have replicated experimentally these altered rims in a monazite-leucosome experiment at 800 degrees C and 2 kbar. This experiment, coupled with earlier published monazite-fluid experiments involving high pH alkali-bearing fluids at high P-T, helps to confirm the idea that alkali-bearing fluids, in the melt and along grain boundaries during crystallization, were responsible for the formation of the altered monazite grain rims via the process of coupled dissolution-reprecipitation. (C) 2015 Elsevier B.V. All rights reserved.

Simulation of Effective Thermal Conductivity of Metal Hydride Packed Beds

Several mathematical models are available for estimation of effective thermal conductivity of nonreactive packed beds. Keeping in view the salient differences between metal hydride beds in which chemisorption of hydrogen takes place and conventional nonreactive packed beds, modified models are proposed here to predict the effective thermal conductivity. Variation in properties such as solid thermal conductivity and porosity during hydrogen absorption and desorption processes are incorporated. These extended models have been applied to simulate the effective thermal conductivity of the MmNi(4.5)Al(0.5) hydride bed and are compared with the experimental results. Applicability of the extended models for estimation of the effective thermal conductivity at different operating conditions such as pressure, temperature, and hydrogen concentration is discussed.

Tracking the migration of the Indian continent using the carbonate clumped isotope technique on Phanerozoic soil carbonates

Approximately 140 million years ago, the Indian plate separated from Gondwana and migrated by almost 90 degrees latitude to its current location, forming the Himalayan-Tibetan system. Large discrepancies exist in the rate of migration of Indian plate during Phanerozoic. Here we describe a new approach to paleo-latitudinal reconstruction based on simultaneous determination of carbonate formation temperature and delta O-18 of soil carbonates, constrained by the abundances of C-13-O-18 bonds in palaeosol carbonates. Assuming that the palaeosol carbonates have a strong relationship with the composition of the meteoric water, delta O-18 carbonate of palaeosol can constrain paleo-latitudinal position. Weighted mean annual rainfall delta O-18 water values measured at several stations across the southern latitudes are used to derive a polynomial equation: delta(18)Ow = -0.006 x (LAT)(2) - 0.294 x (LAT) - 5.29 which is used for latitudinal reconstruction. We use this approach to show the northward migration of the Indian plate from 46.8 +/- 5.8 degrees S during the Permian (269 M. y.) to 30 +/- 11 degrees S during the Triassic (248 M. y.), 14.7 +/- 8.7 degrees S during the early Cretaceous (135 M. y.), and 28 +/- 8.8 degrees S during the late Cretaceous ( 68 M. y.). Soil carbonate delta O-18 provides an alternative method for tracing the latitudinal position of Indian plate in the past and the estimates are consistent with the paleo-magnetic records which document the position of Indian plate prior to 135 +/- 3 M. y.

Visualisation of charge-transfer excitations in donor-acceptor molecules using the particle-hole map: a case study

Charge-transfer (CT) excitations are essential for photovoltaic phenomena in organic solar cells. Owing to the complexity of molecular geometries and orbital coupling, a detailed analysis and spatial visualisation of CT processes can be challenging. In this paper, a new detail-oriented visualisation scheme, the particle-hole map (PHM), is applied and explained for the purpose of spatial analysis of excitations in organic molecules. The PHM can be obtained from the output of a time-dependent density-functional theory calculation with negligible additional computational cost, and provides a useful physical picture for understanding the origins and destinations of electrons and holes during an excitation process. As an example, we consider intramolecular CT excitations in Diketopyrrolopyrrole-based molecules, and relate our findings to experimental results.

Surface amorphous and crystalline microstructure by alloying zirconium using Nd : YAG pulsed laser

A novel composite coating was synthesized by laser alloying of zirconium nanoparticles on an austenite stainless steel surface using a pulsed Nd:YAG laser. The coating contained duplex microstructures comprising an amorphous phase and an austenitic matrix. A discontinuous zirconium-containing region formed at a depth of 16 mum below the surface. The amorphous phase was present in the zirconium-rich region, with the composition of zirconium ranging from 7.8 to 14.5 at. pet. The formation of the amorphous phase was attributed to the zirconium addition. The hardness, corrosion, and wear-corrosion resistance of the irradiated coating were evidently enhanced compared to those of the stainless steel.

State Vector: A New Approach to Prediction of the Failure of Brittle Heterogeneous Media and Large Earthquakes

The concept of state vector stems from statistical physics, where it is usually used to describe activity patterns of a physical field in its manner of coarsegrain. In this paper, we propose an approach by which the state vector was applied to describe quantitatively the damage evolution of the brittle heterogeneous systems, and some interesting results are presented, i.e., prior to the macro-fracture of rock specimens and occurrence of a strong earthquake, evolutions of the four relevant scalars time series derived from the state vectors changed anomalously. As retrospective studies, some prominent large earthquakes occurred in the Chinese Mainland (e.g., the M 7.4 Haicheng earthquake on February 4, 1975, and the M 7.8 Tangshan earthquake on July 28, 1976, etc) were investigated. Results show considerable promise that the time-dependent state vectors could serve as a kind of precursor to predict earthquakes.

Inventario agroecológico de las especies de Gallina ciega (Phyllophaga spp) en la Región I de Nicaragua y validación de trampas artesanales de luz para el control de adultos en dos localidades del municipio de Estelí, Nicaragua

De mayo a octubre de 1996 se hizo un inventario agroecológico de las especies de gallina ciega (Phyllophaga spp.) en la región T de Nicaragua con el objetivo de determinar la relación entre la diversidad de especies de gallina ciega con precipitación, tamaño y años de uso de la parcela y historial de daño(%) y validación de trampas luz artesanal para control de adultos de gallina ciega en Miraflor y Almaciguera, con el fin de confirmar su efectividad. Se muestrearon 61 localidades en 18 municipios, agrupados por rangos de precipitación en cuatro estratos. La unidad muestra! fué el número de insectos adultos de gallina ciega recolectados por los mismos agricultores en cada finca. Para la identificación se utilizaron las claves desarrolladas por King (1984); Morón (198S); Woodruffy Beck (1989) y Coto (1990). Se realizó un diagoóstico sobre conocimiento de la plaga y el manejo al cultivo por medio de encuestas. Se hizo análisis de correlación simple. La mayor parte de la encuesta fue analizada en términos de porcentajes. Se utilizó la metodología de captura y recaptura de insectos marcados con esmalte para uñas y escarchas de colores diferentes. Los insectos fueron hllerados desde S hasta 21m de distancia de la trampa marcándose grupos de cinco hasta SO insectos. Se consideró un factor correctivo de comparación entre distancias y analisis de frecuencia de recaptura con observaciones cada 15 minutos. Se realizó muestreo de larvas posterior a los ensayos de liberación. La población de gallina ciega en la región T es diviersa. Se reportan 17 especies de los cuales sólo 9 se identificaron: Phyllophaga (Chlaenobia) aequata (Bates), 1888; P. (Phytalus) cometes Bates, 1888; P. (Rorulenta) elenon.' Saylor, 1938; P. (P) lenis Horn, 1887; P.(P) menetriesi Blanchard, 1850; P. (P) obsoleta (Biancbard), 1850; P. (Chlaenobia) tumulosa (Bates), 1888; P. (Rorulenta) vicina Moser, 1918 y P. yucateca (Bates), 1889. Las especies no identificadas fueron distinguidas por números. Las especies 1, 3, 4, 5, 6, 7, 8 y 9 no se identificaron. P. Lenis, P. yucateca, P, vicina, P.elenon.f, P. menetriesi y P. obsoleta son las especies que, en este orden, sobresalen numéricamente. Las cantidades de especímenes por especies de gallina ciega no presentan relación con rangos de precipitación, historial de daño (%), tamaño y años de uso de la aparcela, ni entre ellas mismas. El 60"/o de los agricultores no conoce al adulto de gallina ciega y el 80% no logra diferenciar claramente los sintomas en una planta dañada. No se registraron recapturas de insectos adultos de gallina ciega en las trampas. El análisis cuantitativo no se realizó. La mayor parte de los insectos liberados establecieron vuelo. Muestreos de larvas de gallina ciega indican que sólo en Miraflor habían cantidades de adultos justificables a los ensayos. El promedio de plantas dañadas por gallina ciega según los agricultores es de 15%. Se recomienda impulsar estudios básicos sobre la diversidad de especies de gallina ciega en el país y difundir el conocimiento sobre la biología y manejo de gallina ciega entre los pequeños agricultores. Futuros ensayos con trampas luz deben considerar el aumento de la calidad y la consistencia de la fuente luminosa y establecerlas cerca de las plantas hospederas de adultos.

高超声速湍流分离激波运动特性

给出半圆柱前缘舵诱导的高超声速湍流分离激波运动特性。实验气流M数为7.8单位长度Re数为3.5×10~7/m。结果表明，随着M数的增加，分离激波两边压力比的平均值加大，但对其用前缘直径无量纲的激波运动区长度和用自由流速度无量纲的激波向上（下）游运动速度的平均值影响不大。

Heating characteristics of blunt swept fin-induced shock wave turbulent boundary layer interaction

An experimental study was conducted on shock wave turbulent boundary layer interactions caused by a blunt swept fin-plate configuration at Mach numbers of 5.0, 7.8, 9.9 for a Reynolds number range of (1.0.similar to 4.7) x 10(7)/m. Detailed heat transfer and pressure distributions were measured at fin deflection angles of up to 30 degrees for a sweepback angle of 67.6 degrees. Surface oil flow patterns and liquid crystal thermograms as well as schlieren pictures of fin shock shape were taken. The study shows that the flow was separated at deflection of 10 degrees and secondary separation were detected at deflection of theta greater than or equal to 20 degrees. The heat transfer and pressure distributions on flat plate showed an extensive plateau region followed by a distinct dip and local peak close to the fin foot. Measurements of the plateau pressure and heat transfer were in good agreement with existing prediction methods, but pressure and heating peak measurements at M greater than or equal to 6 were significantly lower than predicted by the simple prediction techniques at lower Mach numbers.

Comportamiento de variables de crecimiento y rendimiento en maiz (Zea mays L.) var. NB-6 bajo practicas de fertilizacion, organica y convencional en la Finca El Plantel 2007-2008

El presente trabajo de investigación se estableció entre los meses de Noviembre 2007-Marzo 2008, bajo sistema de riego en la estación experimental El Plantel propiedad de la Universidad Nacional Agraria (UNA), ubicada en el km 42 ½ de la carretera Tipitapa–Masaya, municipio de Tisma en las coordenadas 12 o 07’ 3.84’’ latitud norte y 86 o 05’ 26.085’’ longitud oeste a una altura de 200 msnm. Con el objetivo de comparar el crecimiento y rendimiento del cultivo maíz, variedad NB-6, se establecierondos tratamientos, con prácticas de manejo convencional y orgánico, el tamaño de la parcela experimental fué de 432m2 (16 m x 27 m) y el tamaño de cada parcela útil fue de 46.8 m2 (6 m x 7.8 m), en ambos manejos. Las variables evaluadas fueron; altura de planta, diámetro de tallo, número de hojas, área foliar, longitud de mazorca, diámetro de mazorca, número de hileras por mazorca, número de granos por hileras, número de granos por mazorca, peso de mil granos y rendimiento. Los datos fueron analizados con el programa estadístico SAS versión 9.1, año 2006; realizando comparaciones de medias para cada variable en las dos prácticas de manejo. Los resultados muestran que no hubo diferencia significativa para las variables de crecimiento, tomadas en momentos diferentes. Se encontró diferencia significativa para las variables de rendimiento; longitud de la mazorca y diámetro de la mazorca. El manejo orgánico obtuvo los mayores rendimientos con un total de 3869.78kgha-1, seguido del manejo convencional con 3060.29 kgha-1.

Estrategias metacognitivas de comprensión lectora y eficacia en la Asignatura Lengua y Literatura

Resumen: La investigación llamada “Estrategias metacognitivas de comprensión lectora y rendimiento en la Asignatura Lengua y Literatura” tiene como objetivo identificar las estrategias metacognitivas en comprensión lectora y determinar su relación con las calificaciones finales en la asignatura Lengua y Literatura. La hipótesis de este estudio es que los estudiantes con mayor utilización de estrategias metacognitivas en comprensión lectora, presentan un rendimiento mayor en la asignatura de Lengua y Literatura. Se trabajó sobre una muestra de 207 adolescentes de ambos sexos que cursaban 7º, 8º y 9º año del EGB3. Según los resultados de la investigación existe una relación significativa positiva de la estrategia de metacognición global con el rendimiento en la asignatura Lengua y Literatura.