Effect of the stoichiometry on the electronic structure of the Ni(111)/α-Al_2O_3(0001) interface:a first-principles investigation

In this paper first-principles calculations of Ni（111）/α-Al2O3（0001） interfaces have been performed, and are compared with the preceding results of the Cu （111）/α-Al2O3（0001） interface [2004 Phil. Mag. Left. 84 425]. The AI- terminated and O-terminated interfaces have quite different adhesion mechanisms, which are similar to the Cu（111）/α Al2O3（0001） interface. For the O-terminated interface, the adhesion is caused by the strong O-2p/Ni-3d orbital hybridization and ionic interactions. On the other hand, the adhesion nature of the Al-terminated interface is the image-like electrostatic and Ni-Al hybridization interactions, the latter is substantial and cannot be neglected. Charge transfer occurs from Al2O3 to Ni, which is opposite to that in the O=terminated interface. The charge transfer direction for the Al-terminated and O-terminated Ni（111）/α-A1203（0001） interfaces is similar to that in the corresponding Cu（111）/α- Al2O3（0001） interface, but there exist the larger charge transfer quantity and consequent stronger adhesion nature, respectively.

Effects of colored noise on the dynamics of quantum entanglement of a one-parameter qubit-qutrit system

We analyzed the effect of colored noise on the negativity dynamics of a hybrid system consisting of a qubit-qutrit and not interacting,prepared from the start in an entangled one-parameter state and acting with noise in local and non-local environments.In this pink and brown noise we investigated two different situations:in the first situation,the noise is produced by a bistable oscillator with an unknown exchange rate;however,in the second situation,the noise is generated by a set of bistable oscillators.We found that entanglement decreases with time to zero,and undergoes the phenomenon of sudden death and rebirth.The pink noise is more prone to entanglement than the brown noise and the non-local environment is more prone to entanglement than the local one.When the number of fluctuators is increased,entanglement decays faster and finally,for certain parameters of the initial state,the subsystems are not affected by the noise.

Effects of classical random external field on the dynamics of entanglement in a four-qubit system

We investigate the dynamics of entanglement through negativity and witness operators in a system of four noninteracting qubits driven by a classical phase noisy laser characterized by a classical random external field(CREF).The qubits are initially prepared in the GHZ-type and W-type states and interact with the CREF in two different qubit-field configurations,namely,common environment and independent environments in which the cases of equal and different field phase probabilities are distinguished.We find that entanglement exhibits different decaying behavior,depending on the input states of the qubits,the qubit-field coupling configuration,and field phase probabilities.On the one hand,we demonstrate that the coupling of the qubits in a common environment is an alternative and more efficient strategy to completely shield the system from the detrimental impacts of the decoherence process induced by a CREF,independent of the input state and the field phase probabilities considered.Also,we show that GHZ-type states have strong dynamics under CREF as compared to W-type states.On the other hand,we demonstrate that in the model investigated the system robustness’s can be greatly improved by increasing the number of qubits constituting the system.

Mechanism of Methylene Blue adsorption on hybrid laponite-multi-walled carbon nanotube particles

The kinetics of adsorption and parameters of equilibrium adsorption of Methylene Blue（MB）on hybrid laponite-multi-walled carbon nanotube（NT）particles in aqueous suspensions were determined.The laponite platelets were used in order to facilitate disaggregation of NTs in aqueous suspensions and enhance the adsorption capacity of hybrid particles for MB.Experiments were performed at room temperature（298 K）,and the laponite/NT ratio（Xl）was varied in the range of 0–0.5.For elucidation of the mechanism of MB adsorption on hybrid particles,the electrical conductivity of the system as well as the electrokinetic potential of laponite-NT hybrid particles were measured.Three different stages in the kinetics of adsorption of MB on the surface of NTs or hybrid laponite-NT particles were discovered to be a fast initial stage Ⅰ（adsorption time t=0–10 min）,a slower intermediate stage Ⅱ（up to t=120 min）and a long-lasting final stage Ⅲ（up to t=24 hr）.The presence of these stages was explained accounting for different types of interactions between MB and adsorbent particles,as well as for the changes in the structure of aggregates of NT particles and the long-range processes of restructuring of laponite platelets on the surface of NTs.The analysis of experimental data on specific surface area versus the value of Xl evidenced in favor of the model with linear contacts between rigid laponite platelets and NTs.It was also concluded that electrostatic interactions control the first stage of adsorption at low MB concentrations.

The effect of melt flow induced by RMF on the meso-and micro-structure of unidirectionally solidified Al–7wt.%Si alloy Benchmark experiment under magnetic stirring

During the last two decades,many algorithms were developed to simulate the solidification process for different casting methods like ingots,continuous casting of steel and the direct chill cast of aluminum.Experiments performed under exactly known conditions and with the detailed knowledge of meso-and micro-structures are required for validating these simulations.The aim of this paper is to give a data set to validate these simulations.Unidirectional solidification experiments were performed by using a rotating magnetic field(RMF)to study the effect of melt flow on the solidified micro-and meso-structure of the Al-7wt.%Si binary alloy.The first and the third 1/3 parts of samples were solidified without magnetic stirring,and the second(middle)1/3 part was solidified by using magnetic stirring.The magnetic induction was 10 m T,the temperature gradient was~7 K/mm,and the sample movement velocity was 0.1 mm/s.On the longitudinal section of the sample,the columnar/equiaxed transition(CET),the equiaxed/columnar transition(ECT),the secondary dendrite arm spacing(SDAS),and the macrosegregation(concentration distribution and the amount of eutectic)were investigated.The primary dendrite arm spacing(PDAS)and the grain structure were studied on the cross-section after color etching.