Molecular dynamic simulation of secondary ion emission from an Al sample bombarded with MeV heavy ions

Spluttering yields and kinetic energy distributions (KED) of Al atomic ions ejected from a pure aluminium sample under MeV silicon ion bombardment were simulated with the molecular dynamic method.Since the electronic energy loss Se is much higher than the nuclear energy loss Sn when the incident ion energy is as high as several MeV,the Se effect was also taken into consideration in the simulation.It was found that the simulated sputtering yield fits well with the experimental data and the electronic energy loss has a slight effect at incident ion energies higher than 4MeV.The simulated secondary ion KED spectrum is a little lower in the peak energy and narrower in the peak width than that in the experiment.     

Correlation between Al2O3 particles and interface of Al-Al2O3 coatings by cold spray

Al-Al₂O₃ composite coatings with different Al₂O₃ particle shapes were prepared on Si and Al substrate by cold spray. The powder compositions of metal (Al) and ceramic (Al₂O₃) having different sizes and agglomerations were varied into ratios of 10:1 wt% and 1:1 wt%. Al₂O₃ particles were successfully incorporated into the soft metal matrix of Al. It was found that crater formation between the coatings and substrate, which is typical characteristic signature of cold spray could be affected by initial starting Al₂O₃ particles. In addition, when the large hard particles of fused Al₂O₃ were employed, the deep and big craters were generated at the interface between coatings and hard substrates. In the case of pure soft metal coating such as Al on hard substrate, it is very hard to get proper adhesion due to lack of crater formation. Therefore, the composite coating would have certain advantages.     

Electronic structure of Al2O3 from electron energy loss spectroscopy

The electronic structure of Al₂O₃ has been studied by electron energy loss spectroscopy (ELS), and an energy level model of both filled and empty states has been constructed from the ELS and available optical data. For the high temperature pyrolytic α-polycrystalline Al₂O₃ films, the transitions are assumed to originate at the two principal peaks in the valence band density of states and the O(2s) core state, and to terminate on two peaks within the conduction band density of states. We also report energy loss spectra due to excitations out of the deeper Al(2p), Al(2s), Al(1s), and O(1s) core levels. The excitations originating at the Al(2p), Al(2s), and Al(1s) core levels terminate on levels in the conduction band and on an exciton lying about 1 eV below the conduction-band edge.     

Corrosion behaviour of sintered NdFeB coated with Al/Al2O3 multilayers by magnetron sputtering

Al/Al₂O₃ multilayers were deposited on sintered NdFeB magnets to improve the corrosion resistance. The amorphous Al₂O₃ films were used to periodically interrupt the columnar growth of the Al layers. The structure of the multilayers was investigated by Scanning Electron Microscopy (SEM) and High Resolution Transmission Electron Microscopy (HRTEM). It was found that the columnar structure was effectively inhibited in the multilayers. Subsequent corrosion testing by potentiodynamic polarization in 3.5 wt.% NaCl and neutral salt spray test (NSS) revealed that the Al/Al₂O₃ multilayers had much better corrosion resistance than the Al single layer. Furthermore, for multilayers with similar thickness, the corrosion resistance was improved as the period decreased.     

Interfacial reactions and oxidation behavior of Al2O3 and Al2O3/Al coatings on an orthorhombic Ti2AlNb alloy

The uniform and dense Al₂O₃ and Al₂O₃/Al coatings were deposited on an orthorhombic Ti₂AlNb alloy by filtered arc ion plating. The interfacial reactions of the Al₂O₃/Ti₂AlNb and Al₂O₃/Al/Ti₂AlNb specimens after vacuum annealing at 750 °C were studied. In the Al₂O₃/Ti₂AlNb specimens, the Al₂O₃ coating decomposed significantly due to reaction between the Al₂O₃ coating and the O-Ti₂AlNb substrate. In the Al₂O₃/Al/Ti₂AlNb specimens, a γ-TiAl layer and an Nb-rich zone came into being by interdiffusion between the Al layer and the O-Ti₂AlNb substrate. The γ-TiAl layer is chemically compatible with Al₂O₃, with no decomposition of Al₂O₃ being detected. No internal oxidation or oxygen and nitrogen dissolution zone was observed in the O-Ti₂AlNb alloy. The Al₂O₃/Al/Ti₂AlNb specimens exhibited excellent oxidation resistance at 750 °C.     

Microstructure and mechanical properties of Al2O3-Al composite coatings deposited by plasma spraying

Al₂O₃ and Al₂O₃-Al composite coatings were prepared by plasma spraying. Phase composition of powders and as-sprayed coatings was determined by X-ray diffraction (XRD), while optical microscopy (OM) and scanning electron microscopy (SEM) were employed to investigate the morphology of impacted droplets, polished and fractured surface, and the element distribution in terms of wavelength-dispersive spectrometer (WDS). Mechanical properties including microhardness, adhesion and bending strength, fracture toughness and sliding wear rate were evaluated. The results indicated that the addition of Al into Al₂O₃ was beneficial to decrease the splashing of impinging droplets and to increase the deposition efficiency. The Al₂O₃-Al composite coating exhibited homogeneously dispersed pores and the co-sprayed Al particles were considered to be distributed in the splat boundary. Compared with Al₂O₃ coating, the composite coating showed slightly lower hardness, whereas the coexistence of metal Al phase and Al₂O₃ ceramic phase effectively improved the toughness, strength and wear resistance of coatings.     

Ionization by H+2. Molecular effect

The molecular effect in the ionization of inner shell electrons of aluminum atoms by energetic H⁺₂ molecules has been calculated. We distinguish between the molecular effect in Al and Al₂O₃. We conclude that in the case of Al the protons of the cluster have a definite orientation but in the case of Al₂O₃ the orientation is at random.     

氧化铝与Al(100)基体间界面原子结构研究

本文介绍了用MeV离子散射和沟道效应研究单晶铝表面无定型氧化层与基体之间界面原子结构的方法。报道了Al₂O₃/Al(100)界面原子结构的实验结果。实验表明,在纯氧气氛围中400℃下生成的氧化铝膜,铝和氧原子浓度比例严格为2与3之比;Al₂O₃膜和Al(100)基体之间的界面极其陡峭,氧化铝膜下Al(100)基体表面的再构层不大于一个原子层。由实验测量与用Monte Carlo方法计算结果比较,得到再构层原子离开原来晶 关键词：     

Synthesis of anodizing composite films containing superfine Al2O3 and PTFE particles on Al alloys

Anodized composite films containing superfine Al₂O₃ and PTFE particles were prepared on 2024 Al alloy using an anodizing method. The microstructures and properties of the films were studied by scanning electron microscopy, optical microscopy and X-ray diffraction. Friction wear tests were performed to evaluate the mechanical properties of the composites. Results indicate that the composite films with reinforced Al₂O₃ and PTFE two-particles have reduced friction coefficients and relatively high microhardness. The friction coefficient can be as small as 0.15, which is much smaller than that of an oxide film prepared under the same conditions but without adding any particles (0.25), while the microhardness can reach as high as 404 HV. When rubbed at room temperature for 20 min during dry sliding friction tests, the wear loss of the film was about 16 mg, which is about the half of that of the samples without added particles. The synthesized composite films that have good anti-wear and self-lubricating properties are desirable for oil-free industrial machinery applications.     

The interaction mechanism of mechanical activated energetic composites

Herein, in order to study the interaction mechanism of mechanical activated energetic composites, molecular dynamics simulation was carried out to calculate the binding energy and the interaction mode of PTFE with different crystalline surfaces of Al and Al₂O₃. Then the mechanical activated energetic composites were prepared, the microscopic morphology and the surface element content of Al-PTFE composites before and after mechanical activation have been studied. At last, the reactivity was tested. The results show that the adsorption of PTFE on the (0 0 1), (0 1 0) and (1 0 0) surface of Al₂O₃ and Al is stable. PTFE interacts with Al₂O₃ mainly via electrostatic force, and PTFE interacts with Al mainly via Van der Waals’ force. After 40 min ball milling, Al and PTFE melt into a composite aggregate, the adsorption of PTFE on the surface of Al and Al₂O₃ is stable, the experimental results are in good agreement with the simulation results. Mechanical activation can remarkably reduce the diffusion distance, improve the reaction activity and the detonation velocity of Al-PTFE composites.     

Co on thin Al2O3 films grown on Ni3Al(1 0 0)

The growth of Co on thin Al₂O₃ layers on Ni₃Al(1 0 0) was investigated by Auger electron spectroscopy, high resolution electron energy loss spectroscopy (EELS), and scanning tunneling microscopy. At 300 K, Co grows in three-dimensional clusters on top of the Al₂O₃ layer. A defect structure of the alumina layer plays a crucial role during the early stage of Co growth. After deposition of 10 Å of Co, a complete screening of the dipoles of the Al₂O₃ layer due to the Co film is found in the EELS measurements. Annealing the Co film reveals a process of coalescence of Co clusters and, above 700 K, diffusion of the Co atoms through the oxide film into the substrate takes place.     

非晶态锂离子导体B2O3-0.7Li2O-0.7LiCl-xAl2O3

木文研究了Al₂O₃对B₂O₃-0.7Li₂O-0.7LiCl非晶态的形成和电学性能的影响,我们发现:加入适量的Al₂O₃后,无需借助液氮骤冷技术,直接将熔体倾倒在室温下的紫铜板上就很容易形成大块非晶锂离子导体B₂O₃-0.7Li₂O-0.7LiCl-xAl₂O₃。Al₂O₃的加入使B₂O₃-0.7Li₂O-0.7LiCl的电导率有所降低,但在高温下不太明显,电导激活能略微升高,实验发现:Al₂O₃含量x=0.03是较合适的剂量,较容易形成大块非晶态,对电导率的影响也不大。 关键词：     

Y掺杂Al2O3高k栅介质薄膜的制备及性能研究

利用射频反应共溅射方法制备了Y掺杂Al₂O₃电介质薄膜，用掠入射x射线衍射检测了薄膜的结构，用高分辨率扫描电子显微镜(HRSEM)、原子力显微镜(AFM)观察了薄膜断面和表面形貌，用高频C-V和变频C-V及J-V测量了样品的电学特性. 结果表明，Y的掺入使电介质薄膜的介电常数k有了很大提高(8.14—11.8)，并体现出了较好的介电特性. 分析认为：与氧具有较大电负性差的Y离子的加入，增大了薄膜中的金属—氧键(M—O)的强度；同时，Y的加入使Al₂O₃的结构和原子配位发生了改变，从而提高了离子极化对薄膜介电常数的贡献. 退火前后的XRD谱均显示薄膜为非晶态；HRSEM断面和AFM形貌像显示所制备的薄膜非常平整，能够满足器件要求. 关键词： 高k栅介质 掺杂氧化铝 射频反应溅射     

SMA-g-MPEG comb-like polymer as a dispersant for Al2O3 suspensions

SMA-g-MPEG comb-like polymer is first employed as the dispersant of Al₂O₃ suspensions in this paper. The comb-like polymer has anionic polycarboxylate backbone, which makes the polymer easily absorbed on the cationic surface of Al₂O₃ particles; on the other hand, the comb-like polymer has hydrophilic MPEG side chains, which extend into the solution to provide steric repulsion after the comb-like polymer is absorbed on the surface of Al₂O₃ particles. The adsorption behavior, zeta potential, apparent viscosity, granularity and TEM images of the Al₂O₃ suspensions using SMA-g-MPEG as dispersant are investigated. The addition of SMA-g-MPEG improves the dispersibility and decreases the apparent viscosity of the Al₂O₃ suspension observably. The impacts of the length of side chains on the dispersion of Al₂O₃ suspensions are particularly discussed. The adsorbed molecular number of the dispersant decreased by increasing the length of side chains. The zeta potential of Al₂O₃ suspension is more negative by using comb-like polymer with shorter side chains. Based on the steric repulsion and adsorbed molecular number, SMA-g-MPEG with moderate length of side chain is found to have the best dispersibility for Al₂O₃ suspension.     

Magnetic properties of Co2.4Al0.6O4/SiO2 nanocomposite obtained via sol-gel method

Nanocomposite made of 10 wt% of Co_2.4Al_0.6O₄ particles dispersed in an amorphous SiO₂ matrix has been synthesized by a sol-gel method. X-ray diffraction, transmission electron microscopy and magnetic measurements have been used to characterize the properties of nanocomposite. Most of the particles are well crystallized and have an average diameter below 100 nm. Smaller particles with size below 10 nm have also been observed. A large value of the effective magnetic moment per Co²⁺ ion of 5.08 μ_B and negative and the low Curie-Weiss paramagnetic temperature Θ∼−6 K, obtained from the high-temperature susceptibility data, indicate a possible mixing of Co²⁺ and Co³⁺ ions between tetrahedral and octahedral sites of the spinel crystal lattice. The measurements of static and dynamic magnetic susceptibilities have shown that Co_2.4Al_0.6O₄ particles in SiO₂ matrix display a spin glass behavior at low temperatures.     

丙烯酰胺聚合物与氧化铝晶体相互作用的分子动力学模拟

将丙烯酰胺单体分别与丙烯酸(AA)、阳离子单体丙烯酰氧乙基二甲基乙基溴化铵(DMB)、疏水性单体丙烯酸十八酯(OA)共聚,分别得到阴离子聚丙烯酰胺P(AA-co-AM)、阳离子聚丙烯酰胺P(DMB-co-AM)、非离子聚丙烯酰胺P(AM)和疏水性聚丙烯酰 胺P(OA-co-AM)等四种丙烯酰胺高分子絮凝剂. 用分子动力学方法,模拟计算了四种聚丙烯酰胺絮凝剂与氧化铝晶体(012)晶面的相互作用,以获得相应的形变能,结合能及理论排序,为阐释四种高分子絮凝剂的絮凝作用机理提供理论依据. 研究结果表明：四种聚合物分子相对Al₂O₃(012)面的初始位置均已贴近Al₂O₃(012)面,且絮凝剂分子中的O原子与Al₂O₃(012)面的Al原子之间存在强烈的相互作用;与Al₂O₃(012)晶面结合的高分子絮凝剂发生扭曲变形,但形变能远小于相应的非键作用能. Al₂O₃(012)晶面结合能的大小排序为P(DMB-co-AM)>P(OA-co-AM)>P(AA-co-AM)>P(AM), 显示四种絮凝剂中P(DMB-co-AM)的絮凝性能最佳,PAM絮凝效果最差.     

Electronic properties of thin films of laser-ablated Al2O3

Laser ablation coupled to mass quadrupole spectrometry (LAMQS) has been used to prepare thin films of aluminum oxide deposited on Si substrates starting from commercial Al₂O₃ polycrystalline targets. X-ray photoemission (XPS) and reflection electron energy loss spectroscopy (REELS) have allowed the investigation of the electronic properties of the produced films. In particular, it was found that the Al/O atomic ratio assumes a value very near to 0.7 (stoichiometric ratio) only for films deposited normally with respect to the target surface, while films grown at larger deposition angles are more rich in oxygen content.The composition, the mass density, the optical energy gap, the complex dielectric function and refraction index of the films have been calculated and compared with the results obtained from our starting target material and with the literature. The morphology of the deposited samples has been analyzed by the AFM technique.     

Molecular dynamics simulation comparison of atomic scale intermixing at the amorphous Al2O3/semiconductor interface for a-Al2O3/Ge, a-Al2O3/InGaAs, and a-Al2O3/InAlAs/InGaAs

The structural properties of a-Al₂O₃/Ge, a-Al₂O₃/In_0.5Ga_0.5As and a-Al₂O₃/In_0.5Al_0.5As/InGaAs interfaces were investigated by density-functional theory (DFT) molecular dynamics (MD) simulations. Realistic a-Al₂O₃ samples were generated using a hybrid classical-DFT MD “melt and quench” approach. The interfaces were formed by annealing at 700 K/800 K and 1100 K with subsequent cooling and relaxation. The a-Al₂O₃/Ge interface demonstrates pronounced interface intermixing and interface bonding exclusively through Al–O–Ge bonds generating high interface polarity. In contrast, the a-Al₂O₃/InGaAs interface has no intermixing, Al–As and O–In/Ga bonding, low interface polarity due to nearly compensating interface dipoles, and low substrate deformation. The a-Al₂O₃/InAlAs interface demonstrated mild intermixing with some substrate Al atoms being adsorbed into the oxide, mixed Al–As/O and O–Al/In bonding, medium interface polarity, and medium substrate deformation. The simulated results demonstrate strong correlation to experimental measurements and illustrate the role of weak bonding in generating an unpinned interface for metal oxide/semiconductor interfaces.     

Improved charge trapping flash device with Al2O3/HfSiO stack as blocking layer

In this paper, we investigate an Al₂O₃/HfSiO stack as the blocking layer of a metal-oxide-nitride-oxide-silicon-type (MONOS) memory capacitor. Compared with a memory capacitor with a single HfSiO layer as the blocking layer or an Al₂O₃/HfO₂ stack as the blocking layer, the sample with the Al₂O₃/HfSiO stack as the blocking layer shows high program/erase (P/E) speed and good data retention characteristics. These improved performances can be explained by energy band engineering. The experimental results demonstrate that the memory device with an Al₂O₃/HfSiO stack as the blocking layer has great potential for further high-performance nonvolatile memory applications.