Effect of temperature on welding of metallic nanowires investigated using molecular dynamics simulations

The mechanism of welding of Au–Au, Ag–Ag and Au–Ag nanowires (NWs) with head-to-head contact is studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The effect of temperature in the range of 300–900 K is investigated. Simulation results show that at the initial welding, an incomplete jointing area forms through the interactions of the van der Waals attractive force, and that the jointing area increases with increasing the extent of contact between the two NWs during the welding process and temperature. Few defects form along the (1 1 1) close-packed plane during the welding process because the acting stress is quite low. Among the three NW pairs, the Au–Au NWs have the best cold-welding quality, whereas the Au–Ag NWs have the worst cold-welding quality due to the welding of different materials. With an increase in temperature, the weld stress and the mechanical strength of the NWs significantly decrease, and the number of disordered structures increases. The welding fails when the temperature exceeds the molten temperature of the NWs.     

Study of deformation and shape recovery of NiTi nanowires under torsion

The nanomechanical properties, deformation, and shape recovery mechanism of NiTi nanowires (NWs) under torsion are studied using molecular dynamics simulations. The effects of loading rate, aspect ratio of NWs, and NW shape are evaluated in terms of atomic trajectories, potential energy, torque required for deformation, stress, shear modulus, centro-symmetry parameter, and radial distribution function. Simulation results show that dislocation nucleation starts from the surface and then extends to the interior along the {110} close-packed plane. For a high loading rate, the occurrence of torsional buckling of a NW is faster, and the buckling gradually develops near the location of the applied external loading. The critical torsional angle and critical buckling angle increase with aspect ratio of the NWs. Square NWs have better mechanical strength than that of circular NWs due to the effect of shape. Shape recovery naturally occurs before buckling.     

Effects of crystal orientation and aspect ratio on plastic response of aluminium nanowires under torsion

The plastic response of perfect face-centred cubic single-crystal aluminium (Al) nanowires (NWs) under torsion is studied using molecular dynamics simulations. The Al–Al interaction is described by the many-body tight-binding potential. The effects of the crystal orientation and aspect ratio of the NWs on their deformation are evaluated in terms of atomic trajectories, potential energy, a centrosymmetry parameter and the torque required for deformation. Simulation results clearly show that for NWs, regardless of crystal orientation, dislocations nucleate and propagate on the (1 1 1) close-packed plane. In a NW under torsion, dislocations begin at the surface, extend to the interior along the (1 1 1) close-packed plane and finally diffuse to the middle part. A 〈1 1 0〉-oriented NW has the lowest required torque for deformation due to the occurrence of homogeneous deformation. The mechanism of the plastic response of an Al NW depends on its crystal orientation. For a long NW, geometry instability occurs before material instability (buckling).     

A molecular dynamics simulation of hexagonal solid platinum nanowires

Experimental evidence of the existence of multi-wall platinum (Pt) nanowires (NWs) has been reported. In this paper, we investigated structural formation of Pt NWs using the classical molecular dynamics (MD) simulation method. The simulations began from initial configurations with random distributions of atomic positions. The initial configuration was minimised by the steepest descent method, and assigned a temperature of 601?K with a random distribution of atomic velocities. Then simulated annealing was applied such that the temperature of the system was reduced gradually to 1?K and a stable NW structure was obtained. Types of hexagonal solid Pt NWs featuring different structures than those of previously reported NWs were found. Details of structural characteristics and mechanical properties of these Pt NWs are presented.     

Analysis of Contact Interfaces for Single GaN Nanowire Devices

Single GaN nanowire (NW) devices fabricated on SiO₂ can exhibit a strong degradation after annealing due to the occurrence of void formation at the contact/SiO₂ interface. This void formation can cause cracking and delamination of the metal film, which can increase the resistance or lead to a complete failure of the NW device. In order to address issues associated with void formation, a technique was developed that removes Ni/Au contact metal films from the substrates to allow for the examination and characterization of the contact/substrate and contact/NW interfaces of single GaN NW devices. This procedure determines the degree of adhesion of the contact films to the substrate and NWs and allows for the characterization of the morphology and composition of the contact interface with the substrate and nanowires. This technique is also useful for assessing the amount of residual contamination that remains from the NW suspension and from photolithographic processes on the NW-SiO₂ surface prior to metal deposition. The detailed steps of this procedure are presented for the removal of annealed Ni/Au contacts to Mg-doped GaN NWs on a SiO₂ substrate.     

Single Nanostructure Electrochemical Devices for Studying Electronic Properties and Structural Changes in Lithiated Si Nanowires

Nanostructured Si is a promising anode material for the next generation of Li‐ion batteries, but few studies have focused on the electrical properties of the Li‐Si alloy phase, which are important for determining power capabilities and ensuring sufficient electrical conduction in the electrode structure. Here, we demonstrate an electrochemical device framework suitable for testing the electrical properties of single Si nanowires (NWs) at different lithiation states and correlating these properties with structural changes via transmission electron microscopy (TEM). We find that single Si NWs usually exhibit Ohmic I–V response in the lithiated state, with conductivities two to three orders of magnitude higher than in the delithiated state. After a number of sequential lithiation/delithiation cycles, the single NWs show similar conductivity after each lithiation step but show large variations in conductivity in the delithiated state. Finally, devices with groups of NWs in physical contact were fabricated, and structural changes in the NWs were observed after lithiation to investigate how the electrical resistance of NW junctions and the NWs themselves affect the lithiation behavior. The results suggest that electrical resistance of NW junctions can limit lithiation. Overall, this study shows the importance of investigating the electronic properties of individual components of a battery electrode (single nanostructures in this case) along with studying the nature of interactions within a collection of these component structures.     

Molecular dynamics study of core–shell structure from carbon nanotube and platinum nanowire

The interaction between the carbon nanotubes (CNTs) and platinum (Pt) nanowires (NWs) was investigated using forced field-based molecular dynamics (MD) simulations. Our results display that the Pt NW can induce the self-assembly of the CNTs to form a shell-core structure, this is because of the van der Waals interaction and the offset face-to-face π–π stacking interaction. The diameter of the CNT plays a major role in the formation of shell–core structure. Furthermore, the position of the CNT on the Pt NW also affects the formation of shell–core configuration, whereas the cross section of the NWs has a negligible effect on the fabrication process. Moreover, the interaction between multi-wall carbon nanotube and Pt nanowires was also discussed in detail, it is worth noting that the formation conformation of the CNT is also much more stable.     

Study of photoluminescence characteristics of CdSe quantum dots hybridized with Cu nanowires

The photoluminescence (PL) characteristics of semiconductor CdSe quantum dots (QDs) aggregated on Cu nanowires (NWs) were studied in detail. The PL relaxation dynamic data show that Cu NWs improve the PL intensity of CdSe QDs by accelerating the emission relaxation rate. The temperature‐dependent PL data and excitation intensity‐dependent PL data suggest that the activation energy of CdSe QDs might decrease due to the excellent heat transfer properties and the plasmon effect of Cu NWs. Copyright © 2016 John Wiley & Sons, Ltd.     

TiO2 nanowire FET device: encapsulation of biomolecules by electro polymerized pyrrole propylic acid

Silane-based methods have become the standards for the conjugation of biomolecules, especially for the preparation of one-dimensional nanomaterial biosensors. However, the specific binding of those target molecules might raise problems with regard to the sensing and non-sensing regions, which may contaminate the sensing devices and decrease their sensitivity. This paper attempts to explore the encapsulation of biomolecules on a one-dimensional nanomaterial field effect transistor (FET) biosensor using polypyrrole propylic acid (PPa). Specifically, the encapsulation of biomolecules via the electropolymerization of pyrrole propylic acid (Pa), a self-made low-conductivity polymer, on TiO(2)-nanowire (NW)-based FETs is presented. The energy dispersive spectrum (EDS) was obtained and electrical analysis was conducted to investigate PPa entrapping anti-rabbit IgG (PPa/1°Ab) on a composite film. The specificity, selectivity and sensitivity of the sensor were analyzed in order to determine the immunoreaction of PPa/1°Ab immobilized NW biosensors. Our results show that PPa/1°Ab achieved high specificity immobilization on NWs under the EDS analysis. Furthermore, the TiO(2)-NW FET immunosensor developed in this work successfully achieved specificity, selectivity and sensitivity detection for the target protein rabbit IgG at the nano-gram level. The combination of PPa material and the electropolymerization method may provide an alternative method to immobilize biomolecules on a specific surface, such as NWs.     

Comparison of Soil Organic Matter in Created, Restored and Paired Natural Wetlands in North Carolina

Soil organic matter (SOM) content is a key indicator of soil quality and is correlated to a number of important soil processes that occur in wetlands such as respiration, denitrification, and phosphorus sorption. To better understand the differences in the SOM content of created (CW), restored (RW), and paired natural wetlands (NWs), 11 CW/RW-NW pairs were sampled in North Carolina. The site pairs spanned a range of hydrogeomorphic (HGM) subclasses common in the Coastal Plain. The following null hypotheses were tested: (1) SOM content of paired CW/RWs and NWs are similar; (2) SOM content of wetlands across different HGM subclasses is similar; and (3) interactions between wetland status (CW/RW vs. NW) and hydrogeomorphic subclass are similar. The first null hypothesis was rejected as CW/RWs had significantly lower mean SOM (11.8 ± 3.9%) than their paired NWs (28.98 ± 8.0%) on average and at 10 out of the 11 individual sites. The second and third null hypotheses were also rejected as CW/RWs and NWs in the non-riverine organic soil flat subclass had significantly higher mean SOM content (31.08 ± 14.2%) than the other three subclasses (8.18 ± 2.5, 11.18 ± 8.2, and 10.38 ± 4.2%). Individual sites within this fourth subclass also had significantly different SOM content. This indicated that it would be inappropriate to include the organic soil flat subclass with either the riverine or non-riverine mineral soil flat subclasses when considering restoration guidelines. These results also suggested that if there is a choice in mitigation options between restoration or creation, wetlands should be restored rather than created, especially those in the non-riverine organic soil flat subclass.     

Effect of cell exposure to top or bottom phase prior to cell partitioning in dextran-poly(ethylene glycol) aqueous phase systems: erythrocytes as a model.

Cells exposed to dextran (Dx)-rich bottom phase prior to cell partitioning in Dx-poly(ethylene glycol) (PEG) aqueous two-phase systems have lower partition ratios than cells exposed to PEG-rich top phase. Aspects of this previously observed phenomenon were explored. In the present work charge-sensitive phases made with Dx T500 and PEG 8000 were used exclusively. It was found that: (1) even on countercurrent distribution (CCD) red cells (RBC) loaded in bottom phase have a lower apparent partition ratio, G, than the same cells loaded in top phase; (2) when part of the same cell population is loaded into top phase and part into bottom phase of the same load cavities for CCD, with the cells loaded into top or bottom bearing an isotopic tracer (51Cr), the cells loaded into top phase have a higher G value than the cells loaded into bottom phase; (3) the shift in the CCD curves of human or of rat RBC between cells loaded in top or bottom phase using systems having the same polymer concentration (though different salt compositions) shows no striking difference and is, for the number of experiments run, not statistically significant; (4) when the quantity of cells loaded for CCD is reduced from 10(9) to 10(8), the G value of cells loaded in top phase is reduced slightly while that of cells loaded in bottom phase is diminished more appreciably; (5) increasing polymer concentrations yield larger differences in G values between (rat) RBC loaded in top or bottom phase; (6) when cells exposed to top or bottom phase, respectively, are centrifuged and suspended in bottom or top phase, respectively, their CCD patterns are qualitatively similar to cells exposed to these latter respective phases initially; (7) rat RBC populations containing 59Fe-labeled cells of different but distinct age are fractionated on CCD irrespective of whether loaded in top or bottom phase. An exception are populations containing very young mature labeled cells (e.g., 4-d old) which are resolved when loaded in top phase but not in bottom phase. Thus cell populations exist which can be resolved by CCD when loaded in one of the phases but not when loaded in the other. Glutaraldehyde-fixed rat RBC containing 4-d old labeled cells are fractionated by CCD irrespective of whether loaded in top or bottom phase.     

Effects of changes in discharge level on temperature and oxygen regimes in a new reservoir and downstream

Temperature and oxygen regimes were monitored weekly in a four-year old reservoir and downstream for ten weeks during the summer (May 15 to July 30, 1979), and monthly in the fall and winter. During the summer discharge levels were changed from top to bottom in the eighth week, back to top in the ninth, all at 0.71 m³/s (= 25 cfs), and returned to the bottom in the tenth, but at 1.14 m³/s (= 40 cfs). Changing the discharge level had little or no impact on the thermal regime within the lake or downstream at 1.14 m³/s and only a moderate impact on water in the lake near the dam at 0.71 m³/s bottom discharge by generating double thermoclines. Oxygen depletion rates were greatest near the surface of the lake, mainly due to temperature effects, but increased greatly at the 3 m depth, the level of the top discharge port, when discharge was changed from bottom to top. Discharge of anoxic waters through the bottom of the dam caused a drop in oxygen content immediately downstream but oxygen content returned to inflow values within 1 km downstream of the dam.     

SOI-nanowire biosensor for detection of D-NFATc1 protein

The nanowire (NW) detection is one of the fast-acting and high-sensitive methods, which can recognize potentially relevant protein molecules. A NW-biosensor based on the silicon-on-insulator (SOI)-structures has been used for biospecific label-free real time detection of the NFATc1 (D-NFATc1) oncomarker. For this purpose, SOI-nanowires (NWs) were modified with aptamers against NFATc1 used as molecular probes. It was shown that using this biosensor it is possible to reach sensitivity of 10^?15 M. This sensitivity was comparable to that of the NW-biosensor with immobilized antibodies used as macromolecular probes. The results demonstrate that approaches used in this study are promising for development of sensor elements for high-sensitive diagnostics of diseases.     

Spray Deposition of Silver Nanowire Electrodes for Semitransparent Solid‐State Dye‐Sensitized Solar Cells

Transparent top electrodes for solid‐state dye‐sensitized solar cells (ssDSCs) allow for fabrication of mechanically stacked ssDSC tandems, partially transparent ssDSCs for building integration, and ssDSCs on metal foil substrates. A solution‐processed, highly transparent, conductive electrode based on PEDOT:PSS [poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate)] and spray‐deposited silver nanowires (Ag NWs) is developed as an effective top contact for ssDSCs. The electrode is solution‐deposited using conditions and solvents that do not damage or dissolve the underlying ssDSC and achieves high performance: a peak transmittance of nearly 93% at a sheet resistance of 18 Ω/square – all without any annealing that would harm the ssDSC. The role of the PEDOT:PSS in the electrode is twofold: it ensures ohmic contact between the ssDSC 2,2′,7,7′‐tetrakis‐(N,N‐di‐p‐methoxyphenylamine)9,9′‐spirobifluorene (Spiro‐OMeTAD) overlayer and the silver nanowires and it decreases the series resistance of the device. Semitransparent ssDSCs with D35 dye fabricated using this Ag NW/PEDOT:PSS transparent electrode show power conversion efficiencies of 3.6%, nearly as high as a reference device using an evaporated silver electrode (3.7%). In addition, the semitransparent ssDSC shows high transmission between 700–1100 nm, a necessity for use in efficient tandem devices. Such an electrode, in combination with efficient ssDSCs or hybrid perovskite‐sensitized solar cells, can allow for the fabrication of efficient, cost‐effective tandem photovoltaics.     

Lateral Organic Solar Cells with Self‐Assembled Semiconductor Nanowires

Solution‐processable organic semiconductor nanowires (NWs) offer a potentially powerful strategy for producing large‐area printed flexible devices. Here, the fabrication of lateral organic solar cells (LOSC) using solution‐processed organic NW blends on a flexible substrate to produce a power source for use in flexible integrated microelectronics is reported. A high photocarrier generation and an efficient charge sweep out are achieved by incorporating 1D self‐assembled poly(3‐hexylthiophene) NWs into the active layer, and an MoO₃ interfacial layer with high work function is introduced to increase the built‐in potential. These structures significantly increase the carrier diffusion/drift length and overall generated photocurrent in the channel. The utility of the LOSCs for high power source applications is demonstrated by using interdigitated electrode patterns that consist of multiple devices connected in parallel or in series. High photovoltage‐producing LOSC modules on plastic substrates for use in flexible optoelectronic devices are successfully fabricated. The LOSCs described here offer a new device architecture for use in highly flexible photoresponsive energy devices.     

南方岩榆光合作用日变化及其影响因子研究

以引自美国的南方岩榆1年生大田苗为研究对象,测定叶片净光合速率(Pn)、蒸腾速率(Tr)、水分利用效率(WUE)等日变化及其与生理生态因子的关系。结果表明,不同部位叶片的Pn日变化均呈单峰曲线,峰值出现在11:00,影响Pn的主要生理生态因子为叶面水气压亏缺(Vpdl)、温度和光强;不同部位叶片的Tr日变化均呈明显的单峰曲线,中部叶和基部叶峰值出现在13:00,顶部叶峰值出现在15:00,且中部叶> 基部叶> 顶部叶;不同部位叶片的WUE日变化均呈单边下降的单峰曲线,中部叶和基部叶均低于顶部叶;影响榆树Tr和WUE的主要生理生态因子均是温度和Vpdl。     

Mutants of FtsZ targeting the protofilament interface: effects on cell division and GTPase activity

The bacterial cell division protein FtsZ assembles into straight protofilaments, one subunit thick, in which subunits appear to be connected by identical bonds or interfaces. These bonds involve the top surface of one subunit making extensive contact with the bottom surface of the subunit above it. We have investigated this interface by site-directed mutagenesis. We found nine bottom and eight top mutants that were unable to function for cell division. We had expected that some of the mutants might poison cell division substoichiometrically, but this was not found for any mutant. Eight of the bottom mutants exhibited dominant negative effects (reduced colony size) and four completely blocked colony formation, but this required expression of the mutant protein at four to five times the wild-type FtsZ level. Remarkably, the top mutants were even weaker, most showing no effect at the highest expression level. This suggests a directional assembly or treadmilling, where subunit addition is primarily to the bottom end of the protofilament. Selected pairs of top and bottom mutants showed no GTPase activity up to 10 to 20 microM, in contrast to the high GTPase activity of wild-type FtsZ above 1 muM. Overall, these results suggest that in order for a subunit to bind a protofilament at the 1 microM K(d) for elongation, it must have functional interfaces at both the top and bottom. This is inconsistent with the present model of the protofilament, as a simple stack of subunits one on top of the other, and may require a new structural model.     

Contribution of the scrotum,testes, and testicular artery to scrotal/testicular thermoregulation in bulls at two ambient temperatures

The objective of this study was to determine the contribution of the scrotum, testes, and the testicular artery to scrotal/testicular thermoregulation in bulls at two ambient temperatures. Crossbred beef bulls, 1.5 years of age, were placed in controlled environment chambers at ambient temperatures of 15°C (n = 5) or 25°C (n = 6). The distal lateral aspects and entire ventral part of the scrotum was incised under caudal epidural anaesthesia (xylazine, 0.07 mg kg⁻¹). Both testes were withdrawn from the scrotum and then replaced and maintained by clamping the scrotal incisions with towel clamps. One testis was randomly chosen to be the exposed testis and was withdrawn prior to temperature measurements. Surface and internal temperatures were measured with infrared thermography and needle thermocouples, respectively. Temperature gradients (°C; difference in temperature from top to bottom at 15 and at 25°C) were: scrotal surface (with testis), 1.5 and 1.3; scrotal surface (without testis), 2.1 and 1.6; surface of exposed testis, −0.6 and 0.0; sub-tunic of exposed testis, −2.2 and −0.6; intratesticular (covered testis), 0.0 and 0.4; and intratesticular (exposed testis), −1.3 and 0.4. The scrotum markedly affects testicular temperature but the testes have limited influence on scrotal surface temperature. The bovine scrotum and testes have opposing temperature gradients that complement one another, resulting in a relatively uniform intratesticular temperature. These temperature gradients are attributed in part to the testicular artery, which goes from the top of the testis to the bottom, divides into several branches and ramifies dorsally and laterally before entering the testicular parenchyma. Intra-arterial temperatures (measured with needle thermocouples) were lower (P < 0.05) where the artery entered the testis than at both the bottom and top of the testis for both the covered (31.7, 33.4 and 34.3°C) and exposed testis (29.6, 32.0 and 32.5°C) at an ambient temperature of 15°C. Temperature differences were similar, but less pronounced, at 25°C (covered testis, 34.8, 36.3 and 36.5°C; exposed testis, 32.4, 33.5, 33.9°C). Results supported the hypothesis that blood within the testicular artery has a similar temperature at the top of the testis (just ventral to the testicular vascular cone) compared with the bottom, but subsequently cools before entering the testicular parenchyma.     

Occurrence of a thermocline in two lakes of the semi-arid region in western Rajasthan,India

Water quality samples were obtained monthly or bimonthly 17 times from May 1974 to May 1975 at three stations in Delaware Bay. In addition, two 12-hour cruises were also conducted at one station in February and April 1975. Surface and bottom water samples were taken. Measurements and analyses included temperature, salinity, dissolved oxygen, silicate, nitrate and nitrite, orthophosphate, ammonia, chlorophylls a, b, and c, phaeopigments, and carotenoids. The annual pattern of temperature was typical of an estuary in the mid-Atlantic Bight. Salinity and dissolved oxygen ranged from 22.9 to 29.7‰ and from 4.53 to 8.53 ml/l, respectively. Nutrient and pigment values showed seasonal peaks. Silicate (30.3 μg-at/1) and orthosphate (1.59 μg-at/1) were highest in September. Highest concentrations of ammonia were commonly measured in July (6.80 μg-at/1) and September (5.13 μg-at/1), and peak concentrations of nitrate and nitrite were recorded in January (24.27 μg-at/l), February (18.2 μg-at/1), and May (16.37 μg-at/1). Peak concentrations of chlorophyll a were measured in August (17.2 μg-at/1), October (15.70 μg-at/1), and March (15.33 μg-at/1). In general, the annual pattern for chlorophylls b and c were similar to chlorophyll a. Comparison with other estuaries and bays (Narrangansett Bay, Long Island Sound, Raritan Bay, and Chesapeake Bay) indicated that concentrations of nutrients and pigments in Delaware Bay were generally similar in magnitude and seasonality, These are the first set of seasonal water quality data for lower Delaware Bay.     

Investigation on the mechanical behaviour of faceted Ag nanowires

Using molecular-dynamic (MD) simulation, we investigated the mechanical response of faceted silver nanowires (NWs) to tensile deformations. The investigation considers different frustum heights, temperatures and 3D void effects to study the yield elasticity, incipient plasticity and ductility of the faceted NWs. The embedded-atom-method (EAM) potential is employed to describe the atomic interactions. To identify the defect evolution and deformation mechanism, the centrosymmetry parameter is implemented in our self-developed programme. A detailed discussion of surface-dominated deformation behaviour has been presented. It is found that the faceted NWs show brittle breaking behaviour in low temperature, which has never been reported in other NWs. This temperature-dependent breaking mode, as reported in this paper, might be useful in avoiding certain deformation mechanisms of metallic NWs in future.