Trans-Scale Mechanics: Looking For The Missing Links Between Continuum And Micro/Nanoscopic Reality

Problems involving coupled multiple space and time scales offer a real challenge for conventional frameworks of either particle or continuum mechanics. In this paper, four cases studies (shear band formation in bulk metallic glasses, spallation resulting from stress wave, interaction between a probe tip and sample, the simulation of nanoindentation with molecular statistical thermodynamics) are provided to illustrate the three levels of trans-scale problems (problems due to various physical mechanisms at macro-level, problems due to micro-structural evolution at macro/micro-level, problems due to the coupling of atoms/molecules and a finite size body at micro/nano-level) and their formulations. Accordingly, non-equilibrium statistical mechanics, coupled trans-scale equations and simultaneous solutions, and trans-scale algorithms based on atomic/molecular interaction are suggested as the three possible modes of trans-scale mechanics.

Deformation Behavior Of Fe-Based Bulk Metallic Glass During Nanoindentation

Fe-based bulk metallic glasses (BMGs) normally exhibit super high strength but significant brittleness at ambient temperature. Therefore, it is difficult to investigate the plastic deformation behavior and mechanism in these alloys through conventional tensile and compressive tests due to lack of distinct macroscopic plastic strain. In this work, the deformation behavior of Fe52Cr15Mo9Er3C15B6 BMG was investigated through instrumented nanoindentation and uniaxial compressive tests. The results show that serrated flow, the typical plastic deformation feature of BMGs, could not be found in as-cast and partially crystallized samples during nanoindentation. In addition, the deformation behavior and mechanical properties of the alloy are insensitive to the applied loading rate. The mechanism for the appearance of the peculiar deformation behavior in the Fe-based BMG is discussed in terms of the temporal and spatial characteristics of shear banding during nanoindentation.

Critical serrated flow features during nanoindentation in La-based bulk metallic glasses

La57.6Al17.5(Cu,Ni)(24.9) and La64Al14(Cu,Ni)(22) bulk metallic glasses (BMGs) were prepared by copper-mould casting method. Plastic deformation behavior of the two BMGs at various loading rates was studied by nanoindentation. The results showed that the La57.6Al17.5(Cu,Ni)(24.9) BMG with a glass transition temperature of 423 K exhibited prominent serrated flow at low loading rates, whereas less pronounced serrated flow at high rates during nanoindentation. In contrast, the La64Al14(Cu,Ni)(22) BMG with a glass transition temperature of 401 K exhibited prominent serrated flow at high loading rates. The different rate dependency of serrated flow in the two La-based BMGs is related to the different glass transition temperature, and consequently the degree of viscous flow during indentation at room temperature. A smoother flow occurs in the alloy with relatively lower glass transition temperature, due to the relaxation of stress concentration.

The characterization of plastic flow in three different bulk metallic glass systems

Plastic deformation behaviors of Zr52.5Al10Ni10Cu15Be12.5, Mg65Cu25Gd10 and Pd43Ni10Cu27P20 bulk metallic glasses (BMGs) are studied by using the depth-sensing nanoindentation, macroindentation and uniaxial compression. The significant difference in plastic deformation behavior cannot be correlated to the Poisson's ratio or the ratio of shear modulus to bulk modulus of the three BMGs, but can be explained by the free volume model. It is shown that the nucleation of local shear band is easy and multiple shear bands can be activated in the Zr52.5Al10Ni10Cu15Be12.5 alloy, which exhibits a distinct plastic strain during uniaxial compression and less serrated flow during nanoindentation. (c) 2006 Elsevier B.V. All rights reserved.

Magnetohydrodynamic equilibrium of plasma ball lightning

Thin foil observations using transmission electron microscopy reveal that the density of dislocations within the band is extremely high and the tangled arrangement of dislocations tends to align along the length of the shear band. The grains in the band were also elongated along the shear band and clearly exhibited a crystallographic nature.

氢对锆基块体非晶合金形变和开裂的影响

通过充氢和未充氢缺口拉伸试样和三点弯曲试样在SEM下的原位加载,研究了氢对Zr65Al7.5Ni10Cu17．5块体非晶合金形变和开裂过程的影响．结果表明,无论是否有氢,块体非晶的剪切带发展到临界尺寸,剪切裂纹就沿剪切带形核、扩展,它一旦张开就导致快速的断裂．断口边缘观察到的无特征区是剪切带,而不是剪切裂纹断口;剪切断口形貌和拉伸断口形貌没有本质区别．只有当长时间充氢才能形成氢鼓泡,如鼓泡很小或尚未形成,则氢对剪切带以及裂纹的形核、扩展没有明显影响;如存在较大的氢鼓泡,则当剪切带尚未充分发展时微裂纹就形核,导致低应力脆断．

溶液热历史对蛋白质晶体生长影响的内在原因研究

从溶液中聚集体的角度研究了溶液的热历史改变生长出的蛋白质晶体的数目和尺寸的内在原因.将在281和309 K下保存1 d的两组溶菌酶溶液按不同比例混合,加入沉淀剂生长晶体.随着高温溶液的比例增加,生长出的晶体数目减少,同时溶液中生长基元的尺寸增大.在5周内,采用动态光散射对281,293和309K三种温度下保存的溶菌酶溶液中聚集体的变化情况进行监测,发现溶液中均存在大小不同的两部分聚集体,称之为小聚集体与多聚体.前者的尺寸基本不随保存时间而变化,而后者尺寸随保存时间增加而减小,减小的速度与保存温度有关.多聚体的尺寸经过5周后和小聚集体基本相同.研究结果表明,处于无序聚集阶段的溶液的均一化程度和成核阶段生长基元的尺寸受到了溶液热历史的影响,并最终对晶体的数目产生影响.

结构钢中绝热剪切带形成与扩展的光学观测与数值模拟

绝热剪切带(Adiabatic Shear Band,ASB)是许多金属材料在冲击载荷作用下发生破坏的主要原因之一,它是近年来冲击动力学和损伤力学研究的前沿和热点.相关的理论研究主要针对一维剪切条件,分析应力、应变、剪切速度、材料热物理和力学性能、初始缺陷大小之间的关系,得到一个由多个物理量组合而成的量来判别材料出现剪切带的难易.ASB的实验主要利用Hopkinson压杆、扭杆、压剪炮等加载技术,研究钛合金、钨合金、高强结构钢等材料的剪切带特征,包括局部温度和变形分布、剪切带出现的阈值等.但是,对剪切带演化过程的在位观察及其动态实时演化的研究还较少见,妨碍了人们对由于剪切局部化而导致的材料破坏机理的深入认识.针对45钢,在Hopkinson压杆上,开展了不同冲击加载条件下剪切带演化过程的在位观察及可视化研究.利用自行设计的高分辨力的光学观测系统和基于数字相关理论的图像处理软件,捕捉了单一试样在冲击加载条件下ASB逐渐形成和扩展的过程.同时,利用LS-DYNA商业程序对试样的冲击压缩过程进行了数值模拟,所得主要结果与实验观测基本一致.

The deformation mechanism of polyphenylquinoxaline films

The plateau modulus of polyphenylquinoxaline (PPQ-E) films has been obtained by from their dynamic mechanical properties curves. Using these data, the entanglement density of PPQ-E films, 2.37 X 10(26) m(-3) Or 0.39mmol/cm(3),has been estimated. The deformation mechanism of polyphenylquinoxaline (crazing mechanism,or shear yielding mechanism, or both), can be predicted according to entanglement density values. The changes in morphology of PPQ-E films during tensile deformation have been observed by Polarized Light Microscope. The result shows that crazing first appears in the tensile process, then shear yielding appears. It needs to point out that the craze is terminated by micro-shear band and the direction of craze in shear band is also changed,which prevents the craze growth into crack and avoid the failure of material. This result is in accordance with the prediction on the basis of the entanglement density data. The morphology and structure of crazes in PPB-E thin film have been determined by TEM. The craze morphology of PPQ-E is mainly fibril craze consisting of micro-fibrils and micro-voids,the interface between bulk and craze is distinct. Multiply crazes, blunting of craze tip and shear deformation zone are also observed. This result reflects the accordance of entanglement density and the morphology and structure of crazes.

SHEAR-DEFORMATION-POTENTIAL CONSTANT OF THE CONDUCTION-BAND MINIMA OF SI - EXPERIMENTAL-DETERMINATION BY THE DEEP-LEVEL CAPACITANCE TRANSIENT METHOD

The shear-deformation-potential constant XI-u of the conduction-band minima of Si has been measured by a method which we called deep-level capacitance transient under uniaxial stress. The uniaxial-stress (F) dependence of the electron emission rate e(n) from deep levels to the split conduction-band minima of Si has been analyzed. Theoretical curves are in good agreement with experimental data for the S0 and S+ deep levels in Si. The values of XI-u obtained by the method are 11.1 +/- 0.3 eV at 148.9 K and 11.3 +/- 0.3 eV at 223.6 K. The analysis and the XI-u values obtained are also valuable for symmetry determination of deep electron traps in Si.

Microstructure of shear localization in low-carbon ferrite pearlite steel

A study has been made of the microstructure of the thermally assisted band in a low carbon ferrite-pearlite steel, resulting from high speed torsional testing with an average strain rate of about 1500 s−1. Metallographic examination showed that there are several fine shear bands distributed over a deformed region (the gauge length of the specimen). The width of these bands is estimated to be of the order of magnitude of 50 μm, and the spacing between them is roughly about 100 μm. Detailed scanning electron microscopy studies indicate that damage of the microstructure within the band is very apparent, as evidenced by microcrack initiation and coalescence along the shear deformation band. However, there is no evidence that the material in the band had become microcrystalline or non-crystalline.

Optical properties of phase-separated GaN1-xPx alloys grown by light-radiation heating metal-organic chemical vapour deposition

Based on the results of the temperature-dependent photoluminescence (PL) measurements, the broad PL emission in the phase-separated GaNP alloys with P compositions of 0.03, 0.07, and 0.15 has investigated. The broad PL peaks at 2.18, 2.12 and 1.83 eV are assigned to be an emission from the optical transitions from several trap levels, possibly the iso-electronic trap levels related to nitrogen. With the increasing P composition (from 0.03 to 0.15), these iso-electronic trap levels are shown to become resonant with the conduction band of the alloy and thus optically inactive, leading to the apparent red shift (80-160meV) of the PL peak energy and the trend of the red shift is strengthened. No PL emission peak is observed from the GaN-rich GaNP region, suggesting that the photogenerated carriers in the GaN-rich GaNP region may recombine with each other via non-radiation transitions.

Band structure parameters of zinc-blende GaN, AlN and their alloys Ga1-xAlxN

The electronic properties of wide energy gap zinc-blende structure GaN, AlN and their alloys Ga1-xAlxN are investigated using the empirical pseudopotential method. Electron and hole Effective mass parameters, hydrostatic and shear deformation potential constants of the valence band at Gamma and those of the conduction band at Gamma and X are obtained. The energies of Gamma, X, L conduction valleys of Ga1-xAlxN alloy versus Al fraction x are also calculated. The information will be useful for the design of lattice mismatched heterostructure optoelectronic devices in the blue light range.

Shear-induced spiral-like morphology of a main-chain liquid crystalline poly(aryl ether ketone)

The shear-induced spiral-like morphology of a main-chain thermotropic liquid crystalline poly(aryl ether ketone) is observed and characterized by means of polarizing light microscopy, atomic force microscopy, transmission electron microscopy and electron diffraction techniques. The spiral-like texture is formed during shearing in the temperature range of liquid crystalline to isotropic transition (335-340 degreesC), and dispersed discontinuously in the mosaic matrix. Electron diffraction results indicate that the spiral exhibits orthorhombic lateral packing of the crystals and homeotropic alignment of the molecules. The spiral formation process and possible affecting factors are discussed.