Effect of electropulsing treatment on microstructure and tensile fracture behavior of aged Mg–9Al–1Zn alloy strip

The effect of electropulsing treatment (EPT) on the microstructure, mechanical properties, and tensile fracture behavior of aged Mg–9Al–1Zn alloy strip at room temperature was investigated. The results indicated that EPT accelerated the spheroidizing and dissolution of β phase tremendously in the aged Mg–9Al–1Zn alloy strip. The EPT-induced microstructural change resulted in remarkably increasing elongation to failure, remained tensile strength unchanged. A mechanism for rapid spheroidizing and dissolution process of β phase during EPT was proposed based on the reduction of nucleation thermodynamic barrier and enhancement of atomic diffusion. Fracture analysis showed that with increase in frequency of EPT transgranular dimple fracture becomes predominant instead of the quasicleavage fracture.     

Structural evolution of ZrO2–mullite nanocomposites from the Si–Al–Zr–O amorphous bulk

ZrO₂–mullite nanocomposites were fabricated by in-situ-controlled crystallization of Si–Al–Zr–O amorphous bulk at 800–1250°C. The structural evolution of the Si–Al–Zr–O amorphous, annealed at different temperatures, was studied by X-ray diffraction, infrared, Laser Raman spectroscopy, field emission scanning electron microscopy, and high-resolution transmission electron microscopy. The materials consisted of an amorphous phase up to 920°C at which phase separation of Si-rich and Al, Zr-rich clusters occurred. The crystalline phases of t-ZrO₂ and mullite were observed at 950°C and 1000°C, respectively. Mullite with a tetragonal structure, formed by the reaction between Al–Si spinel and amorphous silica at low temperature, changed into an orthorhombic structure with the increase of temperature. It was the phase segregation that improved crystallization of the Si–Al–Zr–O amorphous bulk. The anisotropic growth of mullite was observed and the phase transformation from t-ZrO₂ to m-ZrO₂ occurred when the temperature was higher than 1100°C.     

Effect of Sn and Al additions on the microstructure and mechanical properties of amorphous Ti–Cu–Zr–Ni alloys

Amorphous Ti–Cu–Zr–Ni alloys with minor addition of Sn and Al were prepared by melt spinning technique.The effects of Sn and Al additions on the microstructures and mechanical properties of glassy ribbons were investigated.The amorphous state of ribbons was confirmed by x-ray diffraction and transmission electron microscopy,where those ribbons with Sn addition exhibited a fully amorphous state.The characteristic temperature indicates that Ti_(45)Cu_(35)Zr_(10)Ni_5Sn_5 alloy has a stronger glass-forming ability,as proven by differential scanning calorimetry.Ti_(45)Cu_(35)Zr_(10)Ni_5Al_5 alloy showed a better hardness of 9.23 GPa and elastic modulus of 127.15 GPa and good wear resistance.Ti_(45)Cu_(35)Zr_(10)Ni_5Sn_5 alloy displayed a pop-in event related to discrete plasticity according to nanoindentation.When the temperature is below 560 K,Ti_(45)Cu_(35)Zr_(10)Ni_5Sn_5 alloy mainly exhibits elasticity.When the temperature rises between 717 K and 743 K,it shows a significant increase in elasticity but decrease in viscoelasticity after the ribbon experiences the main relaxation at 717 K.When the temperature is above 743 K,the ribbon shows viscoplasticity.     

Effect of growth rate and Mg content on dendrite tip characteristics of Al–Cu–Mg ternary alloys

An experimental analysis is presented to correlate the secondary dendrite arm spacing λ ₂ and dendrite tip radius R with growth rate V and Mg content C _0-Mg of Al–Cu–Mg ternary alloys. Under constant temperature gradient G (4.84±0.13 K mm⁻¹), a series of directional solidification experiments were performed at five different growth rates V (16.7–83.3 μm/s) and five different Mg contents C _0-Mg in Al–5 wt.% Cu–(0.5–5) wt.% Mg alloys. Solid–liquid interface was investigated from the longitudinal sections of the quenched samples, and λ ₂ and R were measured on the dendrite tips. The dependencies of λ ₂ and R on V and C _0-Mg were determined. The experimental results showed that the values of λ ₂ and R decrease as V and C _0-Mg increase at a constant G. The present exponent values related to V are found to be slightly lower than the values of the theoretical models and previous experimental works; however, C _0-Mg exponent values are found to be much lower than the theoretical models and previous experimental works. The ratio of the secondary dendrite arm spacing to the dendrite tip radius is 2.09±0.15, in good agreement with the scaling law. At a constant C _0-Mg, the values of VR ² were found to slightly increase with the ascending V. However, as C _0-Mg increases, the values of VR ² decrease.     

Effect of Ge doping on the electrical properties of amorphous Zn–Sn–O thin films

We report the effect of germanium doping on the active layer of amorphous Zinc–Tin-Oxide (a-ZTO) thin film transistor (TFT). Amorphous thin film samples were prepared by RF magnetron sputtering using single targets composed of Zn₂Ge_0.05Sn_0.95O₄ and Zn₂SnO₄ with variable oxygen contents in the sputtering gases. In comparison with undoped, Ge-doped a-ZTO films exhibited five order of magnitude lower carrier density with a significantly higher Hall-mobility, which might be due to suppressed oxygen vacancies in the a-ZTO lattice since the Ge substituent for the Sn site has relatively higher oxygen affinity. Thus, the bulk and interface trap densities of Ge-doped a-ZTO film were decreased one order of magnitude to 7.047 × 10¹⁸ eV⁻¹cm⁻³ and 3.52 × 10¹¹ eV⁻¹cm⁻², respectively. A bottom-gate TFT with the Ge-doped a-ZTO active layer showed considerably improved performance with a reduced SS, positively shifted V_th, and two orders of magnitude increased I_on/I_off ratio, attributable to the doped Ge ions.     

Effect of Fe on the glass-forming ability,structure and devitrification behavior of Zr–Cu–Al bulk glass-forming alloys

We report on the glass-forming ability and devitrification behavior of Zr₆₀Cu₃₀Al₁₀, Zr₆₀Cu₂₅Al₁₀Fe₅ and Zr_62.5Cu_22.5Al₁₀Fe₅ bulk glass-forming alloys on heating. The effect of Fe addition on the structure of Zr–Al–Cu alloys is also discussed. Crystallization kinetics and structural changes in the glassy alloys were studied using X-ray diffraction, transmission electron microscopy, differential scanning and isothermal calorimetry methods. The results indicate that good glass-formers, such as Zr_62.5Cu_22.5Al₁₀Fe₅, are located somewhat beyond the equilibrium eutectic point. Possible phase separation in the supercooled liquid on heating and electron beam-induced in situ crystallization are observed and discussed.     

Investigation on bulk Nd–Fe–Al amorphous/nano-crystalline alloy

Cylindrical ingots of bulk amorphous Nd₇₀Fe₂₀Al₁₀ with a diameter of 8 mm were prepared by a copper mold casting method. It was proved experimentally with X-ray diffraction, scanning electron microscopy and differential scanning calorimetry that the as-prepared alloy samples consisted mainly of the amorphous phase with a minute amount of nano-crystalline phase. The onset crystallization temperature (T_x) and the melting temperature (T_m) of the samples were 743 and 823 K, respectively, from DSC results. The temperature interval between T_x and T_m, ΔT=T_m−T_x, is 80 K and the resulting ratio of T_x/T_m is 0.90. Both a high T_x/T_m ratio and a small ΔT are considered the reasons for the good glass-forming ability. The Curie temperature (T_c) of these samples was 525 K from magneto-thermal gravimetric analysis. This measured value is higher than the highest T_c among binary Nd–Fe amorphous alloys. Annealing treatments were carried out for the as-cast samples to obtain dual-phase samples with different volume fractions of nano-crystalline phase. Magnetic measurement results indicated that the hard magnetic behavior is weakest for samples with 40% of nano-crystalline phase. The curve of the measured hysteresis loop area versus the volume fraction of nano-crystalline phase concaves upward, which agrees with what we predicated in our previous simulation results.     

Wetting behavior of Al–Si–Mg alloys on Si3N4/Si substrates: optimization of processing parameters

The wetting behavior of Al–Si–Mg alloys on Si₃N₄/Si substrates has been investigated using the sessile drop technique. Based on a Taguchi experiment design, the effect of the following processing parameters on the contact angle (θ) and surface tension (σ_LV) was studied: processing time and temperature, atmosphere (Ar and N₂), substrate surface condition (with and without a silicon wafer), as well as the Mg and Si contents in the aluminium alloy. In nitrogen, non-wetting conditions prevail during the isothermal events while in argon a remarkable non-wetting to wetting transition leads to contact angles θ as low as 11±3° and a liquid surface tension σ_LV of 33± 10×10^-5 kJ/m². According to the multiple analysis of variance (Manova), the optimum conditions for minimizing the values of θ and σ_LV are as follows: temperature of 1100 °C, processing time of 90 min, argon atmosphere, no use of a silicon wafer, and the use of the Al-18% Mg-1% Si alloy. A verification test conducted under the optimized conditions resulted in a contact angle of θ=9±3° and a surface tension of σ_LV=29± 9×10^-5 kJ/m², both indicative of excellent wetting. PACS 68.03.Cd; 81.05.Bx; 68.08.Bc; 05.70.-a; 61.10.Nz     

Effect of the ratio of transition dipole moments on few-cycle pulse propagation

Propagation of a few-cycle laser pulses in a dense V-type three-level atomic medium is investigated based on full-wave Maxwell-Bloch equations by taking the near dipole-dipole (NDD) interaction into account. We find that the ratio,γ,of the transition dipole moments has strong influence on the time evolution and split of the pulse:whenγ≤1,the NDD interaction delays propagation and split of the pulse,and this phenomenon is more obvious when the value ofγis smaller;whenγ=2~(1/2),the NDD interaction accelerates propagation and split of the pulse.     

Influence of oxidized interlayers on magnetic properties of multilayer films based on amorphous ferromagnet–dielectric nanocomposites

Films of composites (Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x, (Co₈₄Nb₁₄Ta₂)_x(SiO₂)_100–x, (Co₄₁Fe₃₉B₂₀)_x(SiO₂)_100–x and multilayer heterogeneous composite–composite structures {[(Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x]/[(Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x + N₂]}_n, {[(Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x]/[(Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x + O₂]}_n, {[(Co₄₁Fe₃₉B₂₀)_x(SiO₂)_100–x]/[(Co₄₁Fe₃₉B₂₀)_x(SiO₂)_100–x + O₂]}_n, and {[(Co₈₄Nb₁₄Ta₂)_x(SiO₂)_100–x]/[(Co₈₄Nb₁₄Ta₂)_x(SiO₂)_100–x + O₂]}_n have been deposited using the ionbeam sputtering method with a cyclic supply of reaction gases during deposition. The structure and magnetic properties of the films have been studied. It has been shown that the introduction of an oxidized interlayer makes it possible to suppress the perpendicular magnetic anisotropy in the (Co₄₅Fe₄₅Zr₁₀)_x(Al₂O₃)_100–x composite with the metallic phase concentration higher than the percolation threshold.     

Effect of interface structure on deformation behavior of crystalline Cu/amorphous CuZr sandwich structures

The effect of interface types (namely, sharp interface and graded interface) and its thickness on the deformation behavior of crystalline/amorphous/crystalline sandwich structures (CACSSs) under tensile loading are studied using molecular dynamics simulation. Compared with the CACSSs with sharp interface, the CACSSs with gradient interface consistently exhibit good plasticity when the interface thickness is larger than 6 nm, due to the coupling effects among crystalline layer, amorphous layer and crystalline–amorphous interface. With the increase of interface thickness, the plastic deformation mechanism of CACSSs with gradient interface changes from the local plastic deformation in amorphous layer to the homogeneous plastic deformation.     

摩擦导致的聚合物表层微观结构改变

应用大规模分子动力学方法, 模拟了锥形探头在非晶态聚合物薄膜表面的滑动摩擦过程, 研究了摩擦导致的聚合物薄膜表层微观结构改变, 以及探头与基体间黏着作用、滑动速度和分子链长度对基体表层微观结构改变的影响. 当探头与基体之间为黏着作用时, 摩擦导致基体表面滑痕区域的键取向沿滑动方向重新取向, 导致表层分子链回转半径沿滑动方向伸长, 并且这些表层微观结构的改变程度随滑动速度的减小而增大. 在摩擦导致结构改变的过程中, 链端单体和链中单体的贡献作用不同, 形成了不同的分子链拉伸变形机制. 当样本缠结度较大或探头滑动速度较小时, 相比于链中单体, 探头对链端单体的拖曳作用使更多分子链发生拉伸变形. 研究还发现, 在探头与聚合物薄膜系统中, 使薄膜表层微观结构发生改变是摩擦能量耗散的重要途径.     

氧化硅团簇切削单晶硅粗糙峰的分子动力学模拟研究

应用分子动力学模拟方法研究了氧化硅团簇在不同的切削 深度下切削单晶硅粗糙峰的过程, 考察了切削过程中粗糙峰和氧化硅团簇形态变化、团簇的受力状况、粗糙峰原子配位数和温度分布等. 模拟结果表明: 切削深度小于0.5 nm时, 被去除的材料以原子或者原子簇形式存在, 并黏附在颗粒表面被带走; 当切削深度增大至1 nm时, 材料的去除率增大, 并形成大的切屑. 在切削过程中, 由于压力和温度的升高, 粗糙峰切削区域的单晶硅转变为类似Si-Ⅱ相和Bct5-Si相的过渡结构, 在切削过程后的卸载阶段, 过渡结构由于压力和温度的下降转变为非晶态结构.     

SiC纳米纤维/C/SiC复合材料拉伸行为的分子动力学研究

本文采用分子动力学计算方法和Tersoff作用势研究了无定型碳(amorphous carbon, a-C) 涂层厚度对SiC纳米纤维/SiC纳米复合材料断裂方式及力学性能的影响. 分析结果发现, 随着涂层厚度的增加, 纳米纤维的平均应力集中系数下降, 即足够厚度涂层可以同时起到增强和补韧的作用. 当a-C涂层厚度t ≤ 0.3 nm时, 裂纹直接穿透纤维, 纳米复合材料表现出典型的脆性断裂方式; t = 4.0 nm时, 裂纹发生偏转, SiC纳米纤维发生拔出现象, 此时纳米复合材料的拉伸强度约为无涂层纳米复合材料的4倍, 断裂能则提高一个数量级. 计算结果表明, a-C涂层的厚度是SiC纳米纤维/SiC纳米复合材料中产生韧性机理的重要因素, 即传统微米级陶瓷基复合材料的增韧理论在纳米复合材料中仍适用. 研究结果可望为设计同时具有高强度、高韧性的陶瓷基纳米复合材料提供理论基础.     

表面氢对裂纹扩展的影响

暴露于含氢环境的金属表面会吸附氢原子,从而影响材料性能,一定情况下会导致氢脆.这篇文章主要通过分子动力学研究氢从α-Fe自由表面扩散到裂纹面的过程、和表面氢对裂纹扩展的影响.结果表明,在室温下,吸附在表面的氢原子很难直接从自由表面扩散到内部成为溶解氢;自由表面的氢原子会逐步向裂纹表面扩散,最后富集在裂纹表面和自由表面.当表面氢浓度较低时,氢对裂纹扩展影响很小,但是当裂纹表面的氢达到一定浓度时,会导致裂纹失稳扩展,造成严重的氢脆.     

石墨烯/铝基复合材料在纳米压痕过程中位错与石墨烯相互作用机制的模拟研究

石墨烯因其优异的力学性能已成为增强金属基复合材料的理想增强体.然而,目前对石墨烯/金属基复合材料在纳米压痕过程中嵌入石墨烯与位错之间的相互作用仍不清晰.本文采用分子动力学模拟方法,对90°,45°和0°位向的石墨烯/铝基复合材料进行了纳米压痕模拟,研究了压痕加载和卸载过程中石墨烯/铝基复合材料的位错形核及演化,以获取不同位向的石墨烯与位错的相互作用机制,并分析其对塑性区的影响.研究发现,石墨烯可以有效阻碍位错运动,并且石墨烯会沿着位错滑移方向发生弹性变形.在纳米压痕过程中,位错与不同位向石墨烯之间的相互作用差异导致塑性区的变化趋势不同.研究结果表明,在石墨烯/铝基复合材料中,位向不同的石墨烯对位错阻碍强度和方式不同,且石墨烯位向为45°的复合材料的硬度高于其他模型.此外,石墨烯/铝基复合材料的位错线总长度的演化规律与石墨烯位向紧密相关.本文研究可为设计和制备高性能石墨烯/金属基复合材料提供一定的理论指导.     

Computer simulation of the structure of MZr2 liquid and amorphous alloys

In the present study, we compare the structure of NiZr₂ and CuZr₂ disordered (liquid and amorphous) alloys. While Cu and Ni have similar atomic radii, the formation heats of these alloys differ by more than a factor of two. Moreover, the most stable crystal phase in the CuZr₂ alloy has the C11b lattice while the most stable phase in the NiZr2 alloy has the C16 lattice. Comparing these two alloys allows us to directly explore how the chemistry and atomic size affect the disordered phase structure. We find that all differences in the structures of the disordered alloys are readily explained by the smaller Ni–Zr separation driven by the higher heat of mixing and the structure of the disordered alloys does not necessarily resemble the local packing structure of their crystalline counterparts. Comparison of the disordered alloys and their most stable crystal phase structures explains the better glass formability of the CuZr₂ alloy.     

不同取向下单晶铁纳米线拉伸行为的模拟研究

本文利用分子动力学模拟的方法研究了不同取向、尺寸和温度因素对单晶体心立方铁纳米线的拉伸变形行为的影响.铁纳米线轴向初始取向分别为<001>、<110>、<111>、<102>、<112>,模拟了不同温度(10～700 K)和不同尺寸范围(1.5～5 nm)下的变形机制.研究结果表明取向、尺寸和温度会显著影响单晶体心立方铁纳米线的拉伸变形行为.分子动力学模拟结果表明,直径为2 nm的<001>铁纳米线在300 K的拉伸载荷下,主要通过孪晶的模式发生变形,最后拉伸取向转变为<110>.而在700 K下,<001>铁纳米线的拉伸变形模式由滑移主导.不同初始取向在不同温度和尺寸下其变形机制截然不同,这导致了铁纳米线不同的力学性能.本文系统性地研究了在不同取向下的铁纳米线变形机制随尺寸和温度变化发生的转变.     

非晶Ti3Al合金的变形晶化机理的原子模拟

利用分子动力学方法研究了非晶Ti₃Al合金拉伸过程中的晶化行为，模拟结果表明局部塑性变形导致非晶合金晶化.从微观结构演化的角度分析了拉伸过程中的晶化机理，局部剪切导致拉伸过程中晶粒发生成核与合并，最终生成的晶粒具有面心立方结构.晶核的生长过程伴随着应力强化现象，非晶相中的纳米晶粒能提高非晶合金材料的强度. 关键词： 非晶合金 变形晶化 分子动力学     

非晶Ag晶化过程中不同类型晶核结构的识别与跟踪

采用分子动力学模拟研究了非晶Ag的等温晶化过程,通过原子轨迹逆向追踪法分析了不同类型晶体团簇的结构遗传与组态演化.在团簇类型指数法的基础上,根据基本团簇种类与联结方式不同,提出了一种可区分fcc单晶、多晶与混晶团簇的分析方法.在非晶Ag等温晶化过程中,基于团簇结构的连续遗传性特征,发展了一种可区分fcc单晶、多晶与混晶晶胚与晶核的结构分析技术.结果发现:不论临界尺寸还是几何构型,不同类型的晶核结构都存在差异,其中fcc单晶临界尺寸最小,多晶次之,混晶最大; fcc单晶与多晶壳层原子中有少量hcp和bcc原子,而混晶壳层则全部为非晶类原子,并且fcc单晶、多晶与混晶的临界晶核都不是球型结构.