Orientation, Size, and Temperature Dependent Ductile Brittle Transition in NiAl Nanowire under Tensile Loading - A Molecular Dynamics Study

In the present paper, thermo-mechanical response of B2-NiAl nanowire along the < 100 >, < 110 >, and < 111 > orientations has been studied using molecular dynamics simulations. Nanowire with cross-sectional dimensions of similar to 20x20 angstrom(2), similar to 25x25 angstrom(2), and similar to 30x30 angstrom(2) and temperature range of 10 K-900 K has been considered. A Combined effect of size, orientation, and temperature on the stress-strain behavior under uniaxial tensile loading has been presented. It has been observed that < 111 > oriented NiAl nanowire that is energetically most stable gives highest yield stress which further reduces with < 110 > and < 100 > orientations. A remarkable ductile brittle transition (DBT) with an increase in temperature has also been reported for all the orientations considered in the present study. The DBT observed for the nanowire has also been compared with the reported DBT of bulk B2-NiAl obtained from experiments. Alternate technique has also been proposed to increase the toughness of a given material especially at lower temperature regions, i.e. below DBT.

Ferroelectric phase coexistence by crystallite size reduction in BiFeO3-PbTiO3

Size effect in ferroelectrics has been extensively investigated in the past with the general consensus that the long-range ferroelectric ordering gradually disappears with decreasing crystallite size, eventually leading to the paraelectric state. In this paper, we show that the compositions exhibiting giant tetragonality (c/a similar to 1.18) of the ferroelectric alloy system BiFeO3-PbTiO3 transform from a pure tetragonal phase to a state comprising tetragonal and rhombohedral phases as the average crystallite size is reduced from similar to 10 to similar to 1 mu m. It is argued that the increased surface energy in the smaller sized crystallites creates an equivalent compressive stress that drives the system towards tetragonal-rhombohedral criticality.

Grain and the concomitant ferroelectric domain size dependent physical properties of Ba0.85Ca0.15Zr0.1Ti0.9O3 ceramics fabricated using powders derived from oxalate precursor route

Fine powders comprising nanocrystallites of Ba0.85Ca0.15Zr0.1Ti0.9O3 (BCZT) were synthesized via oxalate precursor method, which facilitated to obtain homogenous and large grain sized ceramics at a lower sintering temperature. The compacted powders were sintered at various temperatures in the range of 1200 degrees C-1500 degrees C for an optimized duration of 10 h. Interestingly the one that was sintered at 1450 degrees C/10 h exhibited well resolved Morphotrophic Phase Boundary. The average grain size associated with this sample was 30 mu m accompanied by higher domain density mostly with 90 degrees twinning. These were believed to have significant contribution towards obtaining large strain of about 0.2% and piezoelectric coefficient as high as 563 pC/N. The maximum force that was generated by BCZT ceramic (having 30 mu m grain size) was found to be 161 MPa, which is much higher than that of known actuator materials such as PZT (40MPa) and NKN-5-LT (7 MPa). (C) 2014 AIP Publishing LLC.

Colorimetric detection of melamine based on the size effect of AuNPs

A simple colorimetric detection of melamine was studied using 15 nm (AuNPs-I), 30 nm (AuNPs-II), and 40 nm (AuNPs-III) citrate-capped gold nanoparticles (AuNPs). The AuNPs aggregated in aqueous solution in the presence of melamine, showing a visual color change from red to blue. This color change led to a shift in the absorption peak from 527 nm, 526 nm, and 525 nm to 638 nm, 626 nm, and 680 nm for AuNPs-I, AuNPs-II, and AuNPs-III, respectively. For all the three AuNPs, linearity was observed between the melamine concentration in aqueous solution and the absorbance ratios, A(638/527), A(626/525), and A(680/526), respectively. The limit of detection (LOD) for melamine for the AuNPs-II was found to be 2.37 x 10(-8) M (correlation coefficient R-2 = 0.9745), which showed better sensitivity as compared to the LOD of the AuNPs-I and AuNPs-III, which were 3.3 x 10(-8) M and 8.9 x 10(-8) M, respectively. The synthesis of AuNPs-II also involved a lower HAuCl4 concentration compared with the other two types of AuNPs, which may reduce the process cost. The AuNPs-II was selected to analyze melamine in pre-treated milk samples, and the recovery percentage was in the range of 91-106%. Thus, the efficient detection of melamine was possible using AuNPs-II for the on-site detection without the aid of expensive instruments.

HCN channels enhance spike phase coherence and regulate the phase of spikes and LFPs in the theta-frequency range

What are the implications for the existence of subthreshold ion channels, their localization profiles, and plasticity on local field potentials (LFPs)? Here, we assessed the role of hyperpolarization-activated cyclic-nucleotide-gated (HCN) channels in altering hippocampal theta-frequency LFPs and the associated spike phase. We presented spatiotemporally randomized, balanced theta-modulated excitatory and inhibitory inputs to somatically aligned, morphologically realistic pyramidal neuron models spread across a cylindrical neuropil. We computed LFPs from seven electrode sites and found that the insertion of an experimentally constrained HCN-conductance gradient into these neurons introduced a location- dependent lead in the LFP phase without significantly altering its amplitude. Further, neurons fired action potentials at a specific theta phase of the LFP, and the insertion of HCN channels introduced large lags in this spike phase and a striking enhancement in neuronal spike-phase coherence. Importantly, graded changes in either HCN conductance or its half-maximal activation voltage resulted in graded changes in LFP and spike phases. Our conclusions on the impact of HCN channels on LFPs and spike phase were invariant to changes in neuropil size, to morphological heterogeneity, to excitatory or inhibitory synaptic scaling, and to shifts in the onset phase of inhibitory inputs. Finally, we selectively abolished the inductive lead in the impedance phase introduced by HCN channels without altering neuronal excitability and found that this inductive phase lead contributed significantly to changes in LFP and spike phase. Our results uncover specific roles for HCN channels and their plasticity in phase-coding schemas and in the formation and dynamic reconfiguration of neuronal cell assemblies.

Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory

We present a framework for obtaining reliable solid-state charge and optical excitations and spectra from optimally tuned range-separated hybrid density functional theory. The approach, which is fully couched within the formal framework of generalized Kohn-Sham theory, allows for the accurate prediction of exciton binding energies. We demonstrate our approach through first principles calculations of one- and two-particle excitations in pentacene, a molecular semiconducting crystal, where our work is in excellent agreement with experiments and prior computations. We further show that with one adjustable parameter, set to produce the known band gap, this method accurately predicts band structures and optical spectra of silicon and lithium fluoride, prototypical covalent and ionic solids. Our findings indicate that for a broad range of extended bulk systems, this method may provide a computationally inexpensive alternative to many-body perturbation theory, opening the door to studies of materials of increasing size and complexity.

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.

Size and temperature dependence of the photoluminescence properties of NIR emitting ternary alloyed mercury cadmium telluride quantum dots

Exciton-phonon coupling and nonradiative relaxation processes have been investigated in near-infrared (NIR) emitting ternary alloyed mercury cadmium telluride (CdHgTe) quantum dots. Organically capped CdHgTe nanocrystals of sizes varying from 2.5-4.2 nm have been synthesized where emission is in the NIR region of 650-855 nm. Temperature-dependent (15-300 K) photoluminescence (PL) and the decay dynamics of PL at 300 K have been studied to understand the photophysical properties. The PL decay kinetics shows the transition from triexponential to biexponential on increasing the size of the quantom dots (QDs), informing the change in the distribution of the emitting states. The energy gap is found to be following the Varshni relation with a temperature coefficient of 2.1-2.8 x 10(-4) eV K-1. The strength of the electron-phonon coupling, which is reflected in the Huang and Rhys factor S, is found in the range of 1.17-1.68 for QDs with a size of 2.5-4.2 nm. The integrated PL intensity is nearly constant until 50 K, and slowly decreases up to 140 K, beyond which it decreases at a faster rate. The mechanism for PL quenching with temperature is attributed to the presence of nonradiative relaxation channels, where the excited carriers are thermally stimulated to the surface defect/trap states. At temperatures of different region (<140 K and 140-300 K), traps of low (13-25 meV) and high (65-140 meV) activation energies seem to be controlling the quenching of the PL emission. The broadening of emission linewidth is found to due to exciton-acoustic phonon scattering and exciton-longitudinal optical (LO) phonon coupling. The exciton-acoustic phonon scattering coefficient is found to be enhanced up to 55 MU eV K-1 due to a stronger confinement effect. These findings give insight into understanding the photophysical properties of CdHgTe QDs and pave the way for their possible applications in the fields of NIR photodetectors and other optoelectronic devices.

A Study of Size-Dependent Microindentation

We recently proposed a strain gradient theory to account for the size dependence of plastic deformation at micron and submicron length scales. The strain gradient theory includes the effects of both rotation gradient and stretch gradient such that the rotation gradient influences the material character through the interaction between the Cauchy stresses and the couple stresses; the stretch gradient measures explicitly enter the constitutive relations through the instantaneous tangent modulus. Indentation tests at scales on the order of one micron have shown that measured hardness increases significantly with decreasing indent size. In the present paper, the strain gradient theory is used to model materials undergoing small-scale indentations. A strong effect of including strain gradients in the constitutive description is found with hardness increasing by a factor of two or more over the relevant range behavior. Comparisons with the experimental data for polycrystalline copper and single crystal copper indeed show an approximately linear dependence of the square of the hardness, H 2, on the inverse of the indentation depth, 1/h, I.e., H-2 proportional to 1/h, which provides an important self-consistent check of the strain gradient theory proposed by the authors earlier.

Dislocations And Twins In Nanocrystalline Ni After Severe Plastic Deformation: The Effects Of Grain Size

Deformation microstructures have been investigated in nanocrystalline (nc) Ni with grain sizes in the 50-100 nm range. It was found that deformation twinning started to occur in grains of similar to 90 nm, and its propensity increased with decreasing grain size. In most of the nc grains dislocations were observed as well, in the form of individual dislocations and dipoles. It is concluded that dislocation-mediated plasticity dominates for grain sizes in the upper half, i.e. 50-100 nm, of the nanocrystalline regime. (C) 2007 Published by Elsevier B.V.

Effects of physical parameter range on dimensionless variable sensitivity in water flooding reservoirs

The similarity criterion for water flooding reservoir flows is concerned with in the present paper. When finding out all the dimensionless variables governing this kind of flow, their physical meanings are subsequently elucidated. Then, a numerical approach of sensitivity analysis is adopted to quantify their corresponding dominance degree among the similarity parameters. In this way, we may finally identify major scaling law in different parameter range and demonstrate the respective effects of viscosity, permeability and injection rate.

Small scale, grain size and substrate effects in nano-indentation experiment of film-substrate systems

The mechanical properties of film-substrate systems have been investigated through nano-indentation experiments in our former paper (Chen, S.H., Liu, L., Wang, T.C., 2005. Investigation of the mechanical properties of thin films by nano-indentation, considering the effects of thickness and different coating-substrate combinations. Surf. Coat. Technol., 191, 25-32), in which Al-Glass with three different film thicknesses are adopted and it is found that the relation between the hardness H and normalized indentation depth h/t, where t denotes the film thickness, exhibits three different regimes: (i) the hardness decreases obviously with increasing indentation depth; (ii) then, the hardness keeps an almost constant value in the range of 0.1-0.7 of the normalized indentation depth h/t; (iii) after that, the hardness increases with increasing indentation depth. In this paper, the indentation image is further investigated and finite element method is used to analyze the nano-indentation phenomena with both classical plasticity and strain gradient plasticity theories. Not only the case with an ideal sharp indenter tip but also that with a round one is considered in both theories. Finally, we find that the classical plasticity theory can not predict the experimental results, even considering the indenter tip curvature. However, the strain gradient plasticity theory can describe the experimental data very well not only at a shallow indentation depth but also at a deep depth. Strain gradient and substrate effects are proved to coexist in film-substrate nano-indentation experiments. (c) 2006 Elsevier Ltd. All rights reserved.

Size composition of catches of Yellowfin tuna in the Japanese long-line fishery in the eastern tropical Pacific east of 130°W

ENGLISH (pgs. 267-283): In the spring of 1963, the senior author, who is a member of the staff of the Nankai Regional Fisheries Research. Laboratory, Fisheries Agency, Japanese Government, came to the Institute of Marine Resources of the University of California as a visiting investigator, bringing with him catch statistical data from the fishery in the eastern Pacific, which had been collected at the Nankai Regional Fisheries Research Laboratory (NRFRL) through September 1962, in order to conduct studies of these data in collaboration with the junior author, and with investigators of the InterAmerican Tropical Tuna Commission. A general review of the long-line fishery, based on the catch statistics of the commercial fishing fleet has been published by Suda and Schaefer (1965). In this paper we present an analysis of data respecting the size-composition of yellowfin tuna taken on long-line gear throughout the eastern Pacific between 1958 and 1962, and make some comparisons with data on size-composition of yellowfin tuna taken in the near-surface fishery, by bait boats and purse-seiners, in waters adjacent to the American coast. As has been shown by Suda and Schaefer (1965), the long-line fishery in the eastern Pacific is primarily directed toward the capture of bigeye tuna. However, considerable quantities of yellowfin tuna are also taken on this gear, and, in addition, there are substantial catches of albacore and of several species of spearfishes in some parts of the range of this fishery. Information respecting the catch rates of yellowfin tuna, and information respecting the size-composition of the stock of yellowfin tuna being exploited by the long-line fishery, is of particular interes~" because the yellowfin tuna population of the eastern Pacific is also subject to an intensive fishery by baitboats and purse-seiners which capture this species, together with skipjack, near the surface along the coast of the Americas, and around the outlying islands, in the region of California to northern Chile. SPANISH (pgs. 311-329): En la primavera de 1963, el autor principal, quien es miembro del personal del Nankai Regional Fisheries Research Laboratory, Fisheries Agency del gobierno japonés, vino al Institute of Marine Resources de la Universidad de California en calidad de investigador visitante y trajo consigo datos estadísticos de las capturas de la pesquería en el Pacífico oriental, que habían sido recolectados en el Nankai Regional Fisheries Research Laboratory (NRFRL) hasta septiembre de 1962, con el fin de hacer estudios de esos datos en colaboración con el coautor y con investigadores de la Comisión Interamericana del Atún Tropical. Una revisión general de la pesquería con palangre, basada sobre las estadísticas de captura de la flota pesquera comercial, ha sido publicada por Suda y Schaefer (1965). En este trabajo presentamos un análisis de los datos correspondientes a la composición de tamaños del atún aleta amarilla capturado con equipo palangrero en todo el Pacífico oriental, entre 1958 y 1962, y hacemos algunas comparaciones con los datos sobre la composición de tamaños del atún aleta amarilla cogido en la pesquería superficial cercana, por barcos de carnada y rederos en aguas adyacentes a la costa americana. Como ha sido demostrado por Suda y Schaefer (1965) la pesquería con palangre en el Pacífico oriental tiene como principal objeto la captura del atún ojo grande. Sin embargo, considerables cantidades de atún aleta amarilla son capturadas también por este equipo y, además, hay también considerables capturas de albacora y de diversas especies de peces-espada en algunas partes de la región que abarca esta pesquería. La información respecto a las tasas de captura del atún aleta amarilla, y la relativa a la composición de tamaños del stock de esta especie que explota la pesquería con palangre, es de particular interés, a causa de que la población de atún aleta amarilla del Pacífico oriental es también objeto de una pesca intensiva por barcos de carnada y rederos que capturan esta especie, junto con el barrilete, cerca de la superficie a 10 largo de la costa de las Américas y alrededor de las islas mar afuera, en la región desde California hasta el norte de Chile.

Dislocations and twins in nanocrystalline Ni after severe plastic deformation: the effects of grain size

Deformation microstructures have been investigated in nanocrystalline (nc) Ni with grain sizes in the 50-100 nm range. It was found that deformation twinning started to occur in grains of similar to 90 nm, and its propensity increased with decreasing grain size. In most of the nc grains dislocations were observed as well, in the form of individual dislocations and dipoles. It is concluded that dislocation-mediated plasticity dominates for grain sizes in the upper half, i.e. 50-100 nm, of the nanocrystalline regime. (C) 2007 Published by Elsevier B.V.

Species and size relationships within schools of yellowfin and skipjack tuna as indicated by catches in the Eastern Tropical Pacific Ocean

ENGLISH: Yellowfin tuna, Neothunnus macropterus, and skipjack tuna, Katsuwonus pelamis, are fished intensively off the west coast of the Americas in an area from about the California-Mexico border in the north to the Peru-Chile border in the south. The historical development of this fishery, and its expansion by the long-range California fleets of bait and purse-seine vessels, are well documented by Godsil (1938), Scofield (1951) and Shimada and Sehaefer (1956). The quarterly distribution of the tuna catches within this area has been reported for some recent years by Alverson (1959). SPANISH: Los atunes aleta amarilla, Neothunnus macropterus, y barrilete, Katsuwonus pelamis, son pescados con intensidad frente a la costa occidental del continente americano, en un área comprendida más o menos entre la frontera California-México en el norte y el límite Perú-Chile en el sur. El desarrollo histórico de esta pesquería y la expansión que le han dado las flotas californianas de largo radio de acción, formadas por los barcos de carnada y rederos, están bien documentados por Godsil (1938), Scofield (1951) y Shimada y Schaefer (1956). La distribución trimestral de las pescas de atún dentro de esta área ha sido tratada por Alverson (1959) con referencia a años recientes.