Molecular dynamics study of the mechanical characteristics of Ni/Cu bilayer using nanoindentation

<正>In the present work,a three-dimensional molecular dynamics simulation is carried out to perform the nanoindentation experiment on Ni single crystal.The substrate indenter system is modeled using hybrid interatomic potentials including the many-body potential embedded atom method(EAM),and two-body morse potential.To simulate the indentation process,a spherical indenter(diameter = 80 A,1 A=0.1 nm) is chosen.The results show that the mechanical behaviour of a monolithic Ni is not affected by crystalline orientation.To elucidate the effect of a heterogeneous interface, three bilayer interface systems are constructed,namely Ni(100)/Cu(111),Ni(110)/Cu(111),and Ni(111)/Cu(111).The simulations along these systems clearly describe that mechanical behaviour directly depends on the lattice mismatch. The interface with the smaller mismatch between the specified crystal planes is proved to be harder and vice versa.To describe the relationship between film thickness and interface effect,we choose various values of film thickness ranging from 20 A to 50 A to perform the nanoindentation experiment.It is observed that the interface is significant only for the relatively small thickness of film and the separation between interface and the indenter tip.It is shown that with the increase in film thickness,the mechanical behaviour of the film shifts more toward that of monolithic material.     

Characterisation of some exotic fruits (Morus nigra, Morus alba, Salvadora persica and Carissa opaca) used as herbal medicines by neutron activation analysis and estimation of their nutritional value

In the under developed countries, the people of far-flung rural areas still depend to a large extent upon herbal medicines. At the foundation of usage of herbal medicine is the experience of thousands of years. The present paper deals with the characterisation of exotic fruits for essential and toxic elements. The samples include Morus nigra, Morus alba, Salvadora persica and Carissa opaca (from low and high altitude). Two standardizations of neutron activation analysis, that is, semi-absolute k ₀-instrumental neutron activation analysis (k ₀-INAA) and epithermal neutron activation analysis (ENAA) were employed for the quantification of elements. The analysis methodologies were validated by analyzing the IAEA-336 (lichen) and NIST-SRM-1572 (citrus leaves). Sixteen elements including Br, Ca, Cl, Co, Cr, Fe, I, K, Mg, Mn, Na, Rb, Sb, Sc Sr, and Zn were determined in all samples. Daily intakes of various elements from the samples were measured and compared with the dietary reference intakes. Additionally, principal component analysis was performed to extract information regarding samples and elements.     

Simulation of non-Newtonian ink transfer between two separating plates for gravure-offset printing

The inks used in gravure-offset printing are non-Newtonian fluids with higher viscosities and lower surface tensions compared to Newtonian fluids. This paper examines the transfer of a non-Newtonian ink between two parallel plates when the top plate is moved upward with a constant velocity while the bottom plate is held fixed. Numerical simulations were carried out using the Carreau model to explore the behavior of a non-Newtonian ink in gravure-offset printing. The volume of fluid (VOF) model was adopted to demonstrate the stretching and break-up behaviors of the ink. The results indicate that the ink transfer ratio is greatly influenced by the contact angle, especially the contact angle at the upper plate (α). For lower values of α, oscillatory or unstable behavior of the position of minimum thickness of the ink between the two parallel plates during the stretching period is observed. This oscillation gradually diminishes as the contact angle at the upper plate is increased. Moreover, the number of satellite droplets increases as the velocity of the upper plate is increased. The surface tension of the conductive ink shows a positive impact on the ink transfer ratio to the upper plate. Indeed, the velocity of the upper plate has a significant influence on the ink transfer in gravure-offset printing when the Capillary number (Ca) is greater than 1 and the surface tension dominates over the ink transfer process when Ca is less than 1.     

Electrochemical Degradation of Herbicidal and Pure 2,4-Dichlorophenoxy Acetic Acid on Pb/PbO2 Modified Electrodes

Lead/lead oxide Pb/PbO₂ modified electrodes was prepared for electrocatalytic oxidation of agrochemicals including herbicidal 2,4-D (albar super) and pure 2,4-dichlorophenoxy acetic acid. The results of electrocatalytic oxidation process of the agrochemical solutions were expressed in terms of the remaining concentration and COD removal. The different operating conditions of treatment process were investigated including current density, pH, temperature, time of electrolysis, type of conductive electrolyte, and its specific conductance. This electrode gives good results for the removal of agrochemicals and COD. Also, the results showed the best conductive electrolytes is NaCl. This observation was attributed to the small size of Na⁺ and contribution of Cl^? ion in formation of OCl^?.     

Hydrogen bonded co-crystallised layered isopropanol-pyrogallol[4]arenes

A novel isopropanol-pyrogallol[4]arene forms a layered structure via hydrogen bonding and C–H…π interactions. The layered structure results in encapsulation of one isopropanol molecule. The application of NMR methods to determine solution structures and crystal structures provides insight into host–guest properties and the molecular interactions between them.     

On the Reducibility of a Class of Linear Almost Periodic Differential Equations

In this paper, we use KAM methods to prove that there are positive measure Cantor sets such that for small perturbation parameters in these Cantor sets a class of almost periodic linear differential equations are reducible.     

Preparation,characterization, and binding profile of imprinted semi-IPN cryogel composite for aluminum

Human body is greatly exposed to aluminum due to its high abundance in the environment. This nonessential metal is a threat to the patients of chronic renal disorders, as it is easily retained in their plasma and quickly accumulates in different tissues. Thus, there is great need to remove it from the aqueous environment. In this study, Al³⁺ imprinted semiinterpenetrating polymer network (semi-IPN)-based cryogel composite was prepared and applied for the purification of environmental and drinking water samples from aluminum. Poly (2-hydroxyethyl methacrylate) (pHEMA) discs were produced via cryogenic treatment and imprinted semi-IPN was introduced to the 3-(trimethoxysilyl) propyl acrylatemodified macroporous cryogel discs. The adsorption properties and selectivity of the aluminum (III) imprinted semi-IPN cryogel composite were studied in detail. The imprinted semi-IPN cryogel composite showed good selectivity towards aluminum (III) ions with the imprinting factor (IF) of 76.4 in the presence of competing copper (II), nickle (II), and iron (III) ions. The maximum adsorption capacity of 271 μmol g^-1 was obtained for aluminum (III) at pH 7.0 within 10 min using imprinted semi-IPN cryogel composite. The good selectivity and reusability of aluminum (III)-imprinted semi-IPN cryogel composite makes this material an eligible candidate for the purification of drinking water from aluminum (III) leaving important minerals remained in the water.     

On the Performance of Video Resolution,Motion and Dynamism in Transmission Using Near-Capacity Transceiver for Wireless Communication

This article investigates the performance of various sophisticated channel coding and transmission schemes for achieving reliable transmission of a highly compressed video stream. Novel error protection schemes including Non-Convergent Coding (NCC) scheme, Non-Convergent Coding assisted with Differential Space Time Spreading (DSTS) and Sphere Packing (SP) modulation (NCDSTS-SP) scheme and Convergent Coding assisted with DSTS and SP modulation (CDSTS-SP) are analyzed using Bit Error Ratio (BER) and Peak Signal to Noise Ratio (PSNR) performance metrics. Furthermore, error reduction is achieved using sophisticated transceiver comprising SP modulation technique assisted by Differential Space Time Spreading. The performance of the iterative Soft Bit Source Decoding (SBSD) in combination with channel codes is analyzed using various error protection setups by allocating consistent overall bit-rate budget. Additionally, the iterative behavior of SBSD assisted RSC decoder is analyzed with the aid of Extrinsic Information Transfer (EXIT) Chart in order to analyze the achievable turbo cliff of the iterative decoding process. The subjective and objective video quality performance of the proposed error protection schemes is analyzed while employing H.264 advanced video coding and H.265 high efficient video coding standards, while utilizing diverse video sequences having different resolution, motion and dynamism. It was observed that in the presence of noisy channel the low resolution videos outperforms its high resolution counterparts. Furthermore, it was observed that the performance of video sequence with low motion contents and dynamism outperforms relative to video sequence with high motion contents and dynamism. More specifically, it is observed that while utilizing H.265 video coding standard, the Non-Convergent Coding assisted with DSTS and SP modulation scheme with enhanced transmission mechanism results in Eb/N0 gain of 20 dB with reference to the Non-Convergent Coding and transmission mechanism at the objective PSNR value of 42 dB. It is important to mention that both the schemes have employed identical code rate. Furthermore, the Convergent Coding assisted with DSTS and SP modulation mechanism achieved superior performance with reference to the equivalent rate Non-Convergent Coding assisted with DSTS and SP modulation counterpart mechanism, with a performance gain of 16 dB at the objective PSNR grade of 42 dB. Moreover, it is observed that the maximum achievable PSNR gain through H.265 video coding standard is 45 dB, with a PSNR gain of 3 dB with reference to the identical code rate H.264 coding scheme.     

A study of the effect of the loss function on Bayes Estimate,posterior risk and hazard function for Lindley distribution

In this paper, mathematical properties of Lindley distribution via Bayesian approach are derived under different loss functions. These properties include: Bayes Estimators, posterior risks and failure rate function for simulation scheme. Elicitation of hyperparameters is also discussed. A real life application to waiting time data at the bank is also described for the developed procedures (also using WinBUGS). Results are compared on the basis of posterior risk.     

Photoluminescence emission behavior on the reduced band gap of Fe doping in CeO2-SiO2 nanocomposite and photophysical properties

Fe/CeO₂-SiO₂ nanocomposite was synthesized via hydrothermal method. Bond length of nanocomposite was determined through FTIR analysis, while Raman analysis showed lattice relaxation of CeO₂ phase in Fe/CeO₂-SiO₂. TEM, XRD and DLS-PSA revealed an increase in size of Fe/CeO₂-SiO₂ as compared to CeO₂-SiO₂ which was attributed to have more oxygen vacancies in CeO₂ after doping of iron. Lattice contraction was also observed in some phases of CeO₂ in Fe/CeO₂-SiO₂ nanocomposite as compared to CeO₂-SiO₂ nanocomposite. This contraction was used for determination of Fe content incorporated in CeO₂ [1 1 1] phase. The band gap values of Fe/CeO₂-SiO₂ nanocomposite were found reduced after doping of Fe by factors of 0.62 and 0.55 eV, respectively. Photoluminescence study of the materials was carried out to study the different type of transitions occurring after absorption of electromagnetic radiation. Photoluminescence intensity at 2.12 eV was found enhanced after doping of Fe due to increased oxygen vacancy. Photocatalytic activity of the nanocomposites was studied with the degradation of chlorpyrifos pesticide.