Surface diffuse discharge mechanism of well-aligned atmospheric pressure microplasma arrays

A stable and homogeneous well-aligned air microplasma device for application at atmospheric pressure is designed and its electrical and optical characteristics are investigated. Current-voltage measurements and intensified charge coupled device （ICCD） images show that the well-aligned air microplasma device is able to generate a large-area and homogeneous discharge at the applied voltages ranging from 12 kV to 14 kV, with a repetition frequency of 5 kHz, which is attributed to the diffusion effect of plasma on dielectric surface. Moreover, this well-aligned microplasma device may result in the uniform and large-area surface modification of heat-sensitive PET polymers without damage, such as optimization in hydrophobicity and biocompatibility. In the biomedical field, the utility of this well-aligned microplasma device is further testified. It proves to be very efficient for the large-area and uniform inactivation of E. coli cells with a density of 103/cm2 on LB agar plate culture medium, and inactivation efficiency can reach up to 99% for 2-min treatment.

Numerical Simulation on Intergranular Microcracks in Interconnect Lines Due to Surface Diffusion Induced by Stress-,Electro-and Thermo-migration

Based on the weak formulation for combined surface diffusion and evaporation-condensation,a governing equation of the finite element is derived for simulating the evolution of intergranular microcracks in copper interconnects induced simultaneously by stressmigration,electromigration and thermomigration.Unlike previously published works,the effect of thermomigration is considered.The results show that thermomigration can contribute to the microcrack splitting and accelerate the drifting process along the direction of the electric field.The evolution of the intergranular microcracks depends on the mechanical stress field,the temperature gradient field,the electric field,the initial aspect ratio and the linewidth.And there exists a critical electric fieldχ_c,a critical stress field■,a critical aspect ratioβ_c and a critical linewidth■.When■or■,the intergranular microcrack will split into two or three small intergranular microcracks.Otherwise,the microcrack will evolve into a stable shape as it migrates along the interconnect line.The critical stress field,the critical electric field and the critical aspect ratio decrease with a decrease in the linewidth,and the critical linewidth increases with an increase in the electric field and the aspect ratio.The increase of the stress field,the electric field or the aspect ratio and the decrease of the linewidth are not only beneficial for the intergranular microcrack to split but also accelerate the microcrack splitting process.

Step instability of the surface during Ino.2Gao.sAs （001） annealing

Anisotropic evolution of the step edges on the compressive-strained In0.2Ga0.8As/GaAs（001） surface has been investigated by scanning tunneling microscopy （STM）. The experiments suggest that step edges are indeed sinuous and protrude somewhere a little way along the [110] direction, which is different from the classical waviness predicted by the theoretical model. We consider that the monatomic step edges undergo a morphological instability induced by the anisotropic diffusion of adatoms on the terrace during annealing, and we improve a kinetic model of step edge based on the classical Burton Cabrer-Frank （BCF） model in order to determine the normal velocity of step enlargement. The results show that the normal velocity is proportional to the arc length of the peninsula, which is consistent with the first result of our kinetic model. Additionally, a significant phenomenon is an excess elongation along the [110] direction at the top of the peninsula with a higher aspect ratio, which is attributed to the restriction of diffusion lengths.

Surface diffusion of Si, Ge and C adatoms on Si (001) substrate studied by the molecular dynamics simulation

Depositions of Si, Ge and C atoms onto a preliminary Si （001） substrate at different temperatures are investigated by using the molecular dynamics method. The mechanism of atomic self-assembling occurring locally on the flat terraces between steps is suggested. Diffusion and arrangement patterns of adatoms at different temperatures are observed. At 900 K, the deposited atoms are more likely to form dimers in the perpendicular [110] direction due to the more favourable movement along the perpendicular [110] direction. C adatoms are more likely to break or reconstruct the dimers on the substrate surface and have larger diffusion distances than Ge and Si adatoms. Exchange between C adatoms and substrate atoms are obvious and the epitaxial thickness is small. Total potential energies of adatoms and substrate atoms involved in the simulation cell are computed. When a newly arrived adatom reaches the stable position, the potential energy of the system will decrease and the curves turns into a ladder-like shape. It is found that C adatoms can lead to more reduction of the system energy and the potential energy of the system will increase as temperature increases.

First-principles study of diffusion behaviour of point defects in the O-terminated (0001) surface in wurtzite ZnO

A detailed first-principles study of the diffusion behaviour of point defects in the O-terminated （0001） surface in wnrtzite ZnO was performed. The 0 vacancy and interstitial are found to diffuse much more easily in surface than in bulk. The Zn vacancy has a similar migration barrier for both bulk and surface, but has much smaller barrier for the diffuse-in process. The Zn interstitial is difficult to diffuse in the surface directly, but it can diffuse into the bulk relatively easily. Specific values of corresponding migration barriers are obtained.

Molecular dynamics simulation of nanoscale surface diffusion of heterogeneous adatoms clusters

Molecular dynamics simulation employing the embedded atom method potential is utilized to investigate nanoscale surface diffusion mechanisms of binary heterogeneous adatoms clusters at 300 K, 500 K, and 700 K. Surface diffusion of heterogeneous adatoms clusters can be vital for the binary island growth on the surface and can be useful for the formation of alloy-based thin film surface through atomic exchange process. The results of the diffusion process show that at 300 K, the diffusion of small adatoms clusters shows hopping, sliding, and shear motion; whereas for large adatoms clusters（hexamer and above）, the diffusion is negligible. At 500 K, small adatoms clusters, i.e., dimer, show almost all possible diffusion mechanisms including the atomic exchange process; however no such exchange is observed for adatoms clusters greater than dimer. At 700 K, the exchange mechanism dominates for all types of clusters, where Zr adatoms show maximum tendency and Ag adatoms show minimum or no tendency toward the exchange process. Separation and recombination of one or more adatoms are also observed at 500 K and 700 K. The Ag adatoms also occupy pop-up positions over the adatoms clusters for short intervals. At 700 K, the vacancies are also generated in the vicinity of the adatoms cluster,vacancy formation, filling, and shifting can be observed from the results.

Modeling of Inner Surface Modification of a Cylindrical Tube by Plasma-Based Low-Energy Ion Implantation

The inner surface modification process by plasma-based low-energy ion implantation（PBLEII）with an electron cyclotron resonance（ECR）microwave plasma source located at the central axis of a cylindrical tube is modeled to optimize the low-energy ion implantation parameters for industrial applications.In this paper,a magnetized plasma diffusion fluid model has been established to describe the plasma nonuniformity caused by plasma diffusion under an axial magnetic field during the pulse-off time of low pulsed negative bias.Using this plasma density distribution as the initial condition,a sheath collisional fluid model is built up to describe the sheath evolution and ion implantation during the pulse-on time.The plasma nonuniformity at the end of the pulse-off time is more apparent along the radial direction compared with that in the axial direction due to the geometry of the linear plasma source in the center and the difference between perpendicular and parallel plasma diffusion coefficients with respect to the magnetic field.The normalized nitrogen plasma densities on the inner and outer surfaces of the tube are observed to be about 0.39 and 0.24,respectively,of which the value is 1 at the central plasma source.After a 5μs pulse-on time,in the area less than 2 cm from the end of the tube,the nitrogen ion implantation energy decreases from 1.5 keV to 1.3 keV and the ion implantation angle increases from several degrees to more than 40°;both variations reduce the nitrogen ion implantation depth.However,the nitrogen ion implantation dose peaks of about 2×10^（10）-7×10^（10）ions/cm^2 in this area are 2-4 times higher than that of 1.18×10^（10）ions/cm^2 and 1.63×10^（10）ions/cm^2 on the inner and outer surfaces of the tube.The sufficient ion implantation dose ensures an acceptable modification effect near the end of the tube under the low energy and large angle conditions for nitrogen ion implantation,because the modification effect is mainly determined by the ion implantation dose,just as the mass transfer process in PBLEII is dominated by low-energy ion implantation and thermal diffusion.Therefore,a comparatively uniform surface modification by the low-energy nitrogen ion implantation is achieved along the cylindrical tube on both the inner and outer surfaces.

Gas sorption and non-Darcy flow in shale reservoirs

Gas sorption and non-Darcy flow are two important issues for shale gas reservoirs. The sorption consists of dissolution and adsorption. Dissolved gas and adsorbed gas are different. The former is dissolved in the shale matrix, while the latter is concentrated near the solid walls of pores. In this paper, the Langmuir equation is used to describe adsorption and Henry’s law is used to describe dissolution. The K coefficient in Henry’s law of 0.052 mmol/(MPa g TOC) is obtained by matching experimental data. The amount of dissolved gas increases linearly when pressure increases. Using only the Langmuir equation without considering dissolution can lead to a significant underestimation of the amount of sorbed gas in shales. For non-Darcy gas flow, the apparent permeability model for free gas is established by combining slip flow and Knudsen flow. For adsorbed gas, the surface diffusion effect is also considered in this model. The surface diffu- sion coefficient is suggested to be of the same scale as the gas self-diffusion coefficient, and the corresponding effective permeability is derived. When 1/ increases,k/ kincreases, but the relationship is not linear as the Klinkenberg effect suggests. The effect of adsorption on the gas flow is significant in nanopores (r≤2 nm). Adsorption increases apparent permeability in shales at low pressures and decreases it at high pressures.

Numerical computation of central crack growth in an active particle of electrodes influenced by multiple factors

Mechanical degradation, especially fractures in active particles in an electrode, is a major reason why the capacity of lithiumion batteries fades. This paper proposes a model that couples Li-ion diffusion, stress evolution, and damage mechanics to simulate the growth of central cracks in cathode particles（Li Mn_2 O_4） by an extended finite element method by considering the influence of multiple factors. The simulation shows that particles are likely to crack at a high discharge rate, when the particle radius is large, or when the initial central crack is longer. It also shows that the maximum principal tensile stress decreases and cracking becomes more difficult when the influence of crack surface diffusion is considered. The fracturing process occurs according to the following stages： no crack growth, stable crack growth, and unstable crack growth. Changing the charge/discharge strategy before unstable crack growth sets in is beneficial to prevent further capacity fading during electrochemical cycling.

SIMULATION OF THE CHANGE OF SINTERING NECK BETWEEN TWO GRAINS IN TWO DIMENSIONS

A modified two-sphere model of sintering neck has been proposed, wherein three diffusion mechanisms including surface diffusion, grain-boundary diffusion and coupled surface and grain-boundary diffusion are assumed. Sintering neck is appropriately simulated using the modified model. The dynamic change of sintering neck is presented using the simulation. The variational shape of sintering neck in surface diffusion mechanism is continuous, whereas in grain-boundary diffusion mechanism, besides the variational shape of sintering neck being continuous, the center distance between the particles is also assumed to contract. However, the variational shape of sintering neck in coupling diffusion mechanism is integrated using the two diffusion mechanisms mentioned above.

Spillover on a Platinum Electrode Modified by MWNTs

The spillover phenomenon is observed on the platinum (Pt) disk electrode modified bymulti-wall carbon nanotubes (MWNTs). The rate of the spillover of oxygen-containing speciesproduced on Pt surface to and from MWNTs is fast. However for hydrogen-adatoms, thespillover is very weak. The selective spillover on the Pt/MWNTs electrode may provide a novelway to design catalysts.

FINITE ELEMENT ANALYSIS ON EVOLUTION PROCESS FOR DAMAGE MICROCRACK HEALING

Based on the thermal kinetic and mass conservation, a series of controlling equations for the finite element are derived and related programs are developed to simulate the damage microcrack healing process controlled by surface diffusion. Two kinds of typical models for microcrack splitting are proposed, i.e., the grain boundary energy existing on the crack surface and residual stresses applying on the crack surface. And the conditions of microcrack splitting in the two models are given as a function of the microcrack aspect ratio. The microcrack with traction-free surfaces will directly evolve into a spheroid.

Ultra-thin Oxide Films on SiO_2: An STM Study of Their Thermal Stability in the Presence of Au Deposit

The annealing of Au particles deposited onto the ultrathin layers of SiO 2 on Si(111) has been studied in real time with a high temperature scanning tunnelling microscopy. Annealing did not create significant changes to the morphology of the surface until the surface was heated up to more than 920 K when the gold particles started to display a preference for the step edge. Further heating caused the decomposition of the oxide layer with the formation of voids on the surface in the surface step edge area. Comparison between the gold assisted oxide decomposition and pure oxide decomposition indicates that the two decomposition routes proceed with different mechanisms.

Dealloying induced nanoporosity evolution of less noble metals in Mg ion batteries

Rechargeable Mg ion batteries(MIBs)have aroused great interests,and using alloy-type anodes and conventional electrolytes offers an effective way to develop high energy density Mg battery systems.However,the dealloying-induced nanoporosity evolution of alloy-type anodes during the charging process has received less attention.Herein,using a magnetron-sputtered Mg;Bi;film as an example,we investigate its electrochemical dealloying and associated structural evolution in an all-phenyl-complex electrolyte by in-situ and ex-situ characterizations.The microstructures and length scales of nanoporous Bi can be facilely regulated by changing electrochemical parameters,and there exists a good linear correlation between the surface diffusivity of Bi and the applied current density/potential scan rate on a logarithm scale.More importantly,the self-supporting nanoporous Bi electrodes deliver satisfactory Mg storage performance and alloy-type anodes show good compatibility with conventional electrolytes.Furthermore,the charging-induced dealloying in MIBs is a general strategy to fabricate nanoporous less noble metals like Sn,Pb,In,Cu,Zn and Al,which shows advantages over chemical dealloying in aqueous solutions.Our findings highlight the significance of nanoporosity evolution of alloy-type anodes during dealloying,and open opportunities for the fabrication of nanoporous reactive metals.

SINTERING BEHAVIOR OF Cu-Al ALLOY POWDER

The dynamic behaviour of transient liquid phase during sintering 5wt% Al-Cu alloy compacts with green density of 7.56g/cn￣3 is observed by means of high temperature metallographic microscopy. The structures and precipitating order of the phases are identified by means of DTA, TEM and composion analysis at the definite point and phase diagram. The results show that little Al-rich liquid phase resulting from eutectic reaction flows into the capillaries in Cu powder, because the peritectic reactions exhausts the liquid in high density compact,the composition homogenization needs longer sintering time. The remainder γ2-phase is discovered at place of the neck of sintered Cu particle and has a crystallographic relationship of (111)_(Cu)∥(033)_γ_2 after alloy is sintered at 900 ℃for 3h.

Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces

We perform molecular dynamics simulations of Lennard-Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophilic or hydrophobic surface and calculating the mean square displacement of the center-of-mass of the nanodroplets, the random motion of nanodroplets could be characterized by short- time subdiffusion, intermediate-time superdiffusion, and long-time normal diffusion. The short-time subdiffusive exponent increases and almost reaches unity （normal diffusion） with decreasing droplet size or enhancing hydrophobicity. The diffusion coefficient of the droplet on hydrophobic surfaces is larger than that on hydrophilie surfaces.

Diffuseness effect and radial basis function network for optimizing α decay calculations

A radial basis function network(RBFN)approach is adopted for the first time to optimize the calculation of$\alpha$decay half-life in the generalized liquid drop model(GLDM),while concurrently incorporating the surface diffuseness effect.The calculations presented herein agree closely with the experimental half-lives for 68 superheavy nuclei(SHN),achieving a remarkable reduction of 40%in the root-mean-square(rms)deviations of half-lives.Furthermore,using the RBFN method,the half-lives for four SHN isotopes,252-288Rf,272-310Fl,286-316119,and 292-318120,are predicted using the improved GLDM with the diffuseness correction and the decay energies from WS4 and FRDM as inputs.Therefore,we conclude that the diffuseness effect should be embodied in the proximity energy.Moreover,increased application of neural network methods in nuclear reaction studies is encouraged.

Evolution of stellated gold nanoparticles:New conceptual insights into controlling the surface processes

Understanding the surface processes(deposition and surface diffusion)that occur at or close to the surface of growing nanoparticles is important for fabricating reproducibly stellated or branched gold nanoparticles with precise control over arm length and spatial orientation of arms around the core.By employing a simple seed-mediated strategy,we investigate the key synthetic variables for precise tuning of in situ surface processes(competition between the deposition and surface diffusion).These variables include the reduction rate of a reaction,the packing density of molecules/ions on the high surface energy facets,and temperature.As a result,the thermodynamically stabilized nanoparticles(cuboctahedron and truncated cube)and kinetic products(cube,concave cube,octapod,stellated octahedron,and rhombic dodecahedron)in different sizes with high quantitative shape yield(>80%)can be obtained depending on the reduction rate of reaction and the packing density of molecules/ions.With computer simulation,we studied the stability of stellated(branched structure)and non-stellated(non-branched structure)gold nanoparticles at high temperature.We construct a morphology phase diagram by varying different synthetic parameters,illustrating the formation of both stellated and non-stellated gold nanoparticles in a range of reaction conditions.The stellated gold nanoparticles display shape-dependent optical properties and can be self-assembled into highly ordered superstructures to achieve an enhanced plasmonic response.Our strategy can be applied to other metal systems,allowing for the rational design of advanced new stellated metal nanoparticles with fascinating symmetry dependent plasmonic,catalytic,and electronic properties for technological applications.

Surface Diffusion on Stressed Solid Surface

The surface diffusion of an axi-symmetric solid,a whisker,subject to applied uniaxial stress,is studied numerically based on a new boundary integral formulation for periodic stress configurations.An efficient semi-implicit time-stepping scheme is developed to treat the serve stiffness due to high-order derivatives.When the initial perturbation is small the effect of the stress on the motion of the whisker is found to agree with the linear stability analysis.Numerical simulations of a fully nonlinear case are also presented,and a potential break-up of the whisker is observed.

A Kinetic Monte Carlo Approach for Self-Diffusion of Pt Atom Clusters on a Pt(111)Surface

A lattice Kinetic Monte Carlo(KMC)approach is considered to study the statistical properties of the diffusion of Pt atom clusters on a Pt(111)surface.The interatomic potential experienced by the diffusing atoms is calculated by the embedded atom method and the hopping barrier for the allowed atomic movements are calculated using the Nudged Elastic Band method.The diffusion coefficient is computed for various cluster sizes and system temperatures.The obtained results are in agreement with the ones obtained in previous experimental and theoretical works.A simple scaling argument is proposed for the size dependence of the diffusion coefficient’s prefactor.A detailed statistical analysis of the event by event KMC dynamics reveals two important and co-existing mechanisms for the diffusion of the cluster’s center of mass.At low temperatures(below T=400K)the dominating mechanism responsible for the displacement of the cluster’s center of mass is the periphery(or edge)diffusion of the atoms.At high temperatures(above T=800K)the dissociation and recombination of the clusters becomes more and more important.