Micromechanism of Crystallization in Multicomponent Metallic Glass

A micromechanism in an atomic level of crystallization of transition metal-metalloid TM(80)M(20) metallic glass is thermodynamically proposed by taking Bernal polyhedra as the starting structure of metallic glass. It is composed of two competitively processes: (i) densification process of atom cluster leads to the formation of the precursor in amorphous matrix; (ii) the growth of atom cluster leads to the decreasing packing density. The preferential precipitation sequence of metastable phase is bcc, bet, cpc (close-packed crystal, hcp or fee structure). A metastable phase decomposition (Fe,Mo)(23)B-6 (fcc)-Fe2B highly strained bet phase was observed during crystallization of (Fe(0.99)M(0.01))(78)Si9B13 metallic glass, which is related to the occurrence of nanocrystalline.

Optimizing Structure and Processes of Nickel Induced Lateral Crystallization

The structure and processes of nickel induced lateral crystallization are studied.The structure of metal induced lateral crystallization(MILC) is improved by opening a seed window on the buried oxide,which is helpfu to get superior quality of large grain poly Si at low temperature.By optimizing the temperature and time of annealing based on others' pervious work,the large grain poly Si with few defects are obtained,and the typical grain size is 70～80μm.The methods of etching NiSi 2 which is created after the long time annealing are also studied for the first time.Finally,a method is successfully chosen to reduce the possible contamination of Ni and to guarantee the MILC for the submicron VLSI application.

Synthesis,Crystal Structure and Optical and Photocatalytic Properties of a Discrete Cuprous Iodide Compound with a Transition Metal Complex Cation

With transition metal complex, a discrete cuprous iodide compound, namely, [Ni（phen）3]2Cu6I10（1, phen = 1,10-phenanthroline） has been solvothermally synthesized and structurally characterized. Single-crystal X-ray diffraction studies revealed that compound 1 crystallizes in triclinic space group P1（No. 2） with a = 11.2694（2）, b = 12.3699（3）, c = 15.0387（3） ？, α = 102.840（2）, β = 105.215（2）, γ = 96.388（2）°, V = 1940.04（7） ^3, Z = 1, Dc = 2.438 g·cm^-3, F（000） = 1324, R = 0.0256 and w R = 0.0555（I 〉 2σ（I））. Compound 1 features a discrete anionic moiety of [Cu6I10]^4- charge-balanced by two metal complexes of [Ni（phen）3]2＋. The optical absorption edge of compound 1 was estimated to be 2.24 eV. Interestingly, nearly 95% of contaminant（crystal violet aqueous solution（CV）, 50 m L, 1.0 × 10^-5 M） could be decolorized after exposure to visible light within 30 min, illustrating an impressive photocatalytic activity of compound 1. The thermal stability of 1 has also been studied.

Synthesis, Crystal Structure and Fluorescent Property of a Zn(Ⅱ) Complex with 1,3-Bis(imidazol-1-yl)benzene and 1,3-Benzenedicarboxylate

A novel zinc complex [Zn（BIB）（bdc）]n（1, BIB = 1,3-bis（imidazol-1-yl）benzene, bdc = 1,3-benzenedicarboxylate） has been synthesized in solvothermal conditions. The title complex was characterized by elemental analysis, IR spectra, thermal analysis, single-crystal and powder X-ray diffraction. The result proved that the alliance of BIB and aromatic carboxylic acids is good for the diversity of getatable structure. Complex 1 crystallizes in the monoclinic system of P2/c space group with a = 11.5591（10）, b = 9.6239（8）, c = 33.727（3）A, β = 103.816（3）°, V = 3643.4（5） A^3, Z = 8, μ = 1.385 mm^-1, F（000） = 1792, Dc = 1.603 g/cm^3 and Mr = 439.72 g/mol. Additionally, luminescent properties of complex 1 are also investigated and it shows good fluorescence.

Solution-based metal induced crystallization of a-Si

This paper investigates a simplified metal induced crystallization （MIC） of a-Si, named solution-based MIC （SMIC）. The nickel inducing source was formed on a-Si from salt solution dissolved in de-ionized water or ethanol, a-Si thin film was deposited with low pressure chemical vapour deposition or plasma enhanced chemical vapour deposition as precursor material for MIC. It finds that the content of nickel source formed on a-Si can be controlled by solution concentration and dipping time. The dependence of crystallization rate of a-Si on annealing time illustrated that the linear density of nickel source was another critical factor that affects the crystallization of a-Si, besides the diffusion of nickel disilicide. The highest electron Hall mobility of thus prepared S-MIC poly-Si is 45.6 cm^2/（V· s）. By using this S-MIC poly-Si, thin film transistors and display scan drivers were made, and their characteristics are presented.

A Study of Metal Ions Packing Hydrated Layer of Inclusion Crystals

The inclusion crystal formed by the hexamethylenamine with p-nitrophenol has a layer type structure,and is divided or- ganic layer and inorganic layer,the latter has a width of 1.0136nm.Metal ions can enter hydrated layer of the crystal,the con- tents of the cations and water in the crystal are determined.The XRD analysis of the layer type structure of the crystal is also giv- en.

Investigation on Molecular and Crystal Structures of Metal Complexes with Aminopolycarboxylic Acids(Ⅰ)─Synthesis and Structure of Na_2[Fe~Ⅲ(ida)2]2·3H_2O

The crystal structure of the title complex salt has been determined by single-crystal X-ray structure analysis. The crystal data are as follows; Monoclinic, P21/c, a=15.6480(10)A,b=16.7870(10)A, c=10.347(2)A, β=90.790(10), V=2717.7(6)A3, Z=3, and R=0.0333 for 4789 unique reflections. The complex anion has a pseudo-octahedral structure distorted more than the CrⅢand CoⅢ analogs, in which cach iminodiacetato ligand (ida2-) is coordinated in a facial fashion with the two N atoms in a cis configuration, resulting in an unsyin-fac structure.

CELLULAR AUTOMATA ALGORITHM AND ITS APPLICATION IN CRYSTALLIZATION SIMULATION

This paper deals with the technology of computer graphics and its application in ana-lyzing complex nonlinear proceas. We have investigated metal crystallization, which is a complexnonlinear process and is difficult to analyze by using the conventional numerical rnethod to estab-lish a complete and accurate mathematical modcl. Based on the principles of metal crystallizationand Cellular Automata algorithm, the author separated, in time and space, the process ofccystailization into periodically growing airays, so that the simulation of metal crystallization isrealized.

功能晶体材料CMTD生长动力学和结晶习性的研究

Process of crystal growth can be controlled by both surface kinetics and by volume transport as well.Although the complicated relation between the surface kinetics and volume transport exsits,generally,they are studied seprately.Due to the mathematical complexity of heat and mass transport equations,the in depth studies of heat and mass transport process become difficult.Most of the studies on the transport were performed for the growth from melt.Most of the work on Surface kinetics has been done for crystal growth from aqueous solution because the in situ observation of crystal growth is easily carried out.In recent years,the surface kinetics studies on the nanometer scale,even atomic scale,are demonstrated by using AFM.

Crystallization of a Ti-based Bulk Metallic Glass Induced by Electropulsing Treatment

The effect of electropulsing treatment（EPT）on the microstructure of a Ti-based bulk metallic glass（BMG）has been studied.The maximum current density applied during EPT can exert a crucial role on tuning the microstructure of the BMG.When the maximum current density is no more than 2 720A/mm^2,the samples retains amorphous nature,whereas,beyond that,crystalline phases precipitate from the glassy matrix.During EPT,the maximum temperature within the samples EPTed at the maximum current densities larger than 2 720A/mm^2 is higher than the crystallization temperature of the BMG,leading to the crystallization event.

A Metal-organic Framework Containing Octanuclear Zn(Ⅱ) Clusters Constructed by 5-Methoxyisophthalate and Flexible Bis(imidazolyl) Ligand

The hydrothermal reaction of 5-methoxyisophthalic acid（MeO-H2ip）, 1,3-bis（2-methylimidazol-1-yl）propane（bmip） and Zn（NO3）2·6H2O in the presence of NaOCH3 gave rise to a three-dimensional（3-D） metal-organic framework containing octanuclear Zn（II） units, [Zn4（MeO-ip）3（OH）2（bmip）]n. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the triclinic space group P1 with a = 11.348（3）, b = 14.163（4）, c = 15.088（4） , α = 108.537（2）, β = 106.542（2）, γ = 103.106（1）o, V = 2065.4（9） -3, Z = 2, Mr = 334.62, Dc = 1.740 g·cm-（-3）, μ = 2.375 mm-（-1）, S = 1.015, F（000） = 1096, the final R = 0.0272 and w R = 0.0715 for 8929 observed reflections（I 〉 2σ（I））. The complex is thermally stable up to 370 oC, and exhibits photoluminescent emission at 450 nm on 350 nm excitation.

Tunable terahertz filter based on alternative liquid crystal layers and metallic slats

We propose and demonstrate a pseudo Fabry–Pérot filter in the terahertz frequency range of 0.1–0.5 THz. It consists of alternative liquid crystal layers and metallic slats. Separate sharp resonant peaks are shown in the simulated transmission spectra, and their positions shift toward higher frequencies when the refractive index of liquid crystal decreases. The measured transmission spectra are consistent with corresponding simulations. Via thermally tuning the refractive index of the filled liquid crystal, the resonant transmission frequencies shift accordingly. The work supplies a novel design for tunable terahertz filters, which would play important roles in terahertz imaging, sensing, high speed communication, and security applications.

Dynamic Ni gettered by PSG from S-MIC poly-Si and its TFTs

A dynamic phosphor-silicate glass （PSG） gettering method is proposed in which the processes of the gettering of Ni by PSC and the crystallizing of α-Si into poly-Si by Ni take place simultaneously. The effects of PSC gettering process on the performances of solution-based metal induced crystallized （S-MIC） poly-Si materials and their thin film transistors （TFTs） are discussed. The crystallization rate is much reduced due to the fact that the Ni as a medium source of crystallization is extracted by the PSC during crystallization at the same time. The boundary between two neighbouring grains in S-MIC poly-Si with PSG looks blurrier than without PSG. Compared with the TFTs made from S-MIC poly-Si without PSC gettering, the TFTs made with PSC gettering has a reduced gate induced leakage current.

Direct TEM Observation of Phase Separation and Crystallization in Cu_(45)Zr_(45)Ag_(10)Metallic Glass

The structural evolution of Cu_（45）Zr_（45）Ag_（10） metallic glass was investigated by in situ transmission electron microscopy heating experiments. The relationship between phase separation and crystallization was elucidated. Nucleation and growth-controlled nanoscale phase separation at early stage were seen to impede nanocrystallization, while a coarser phase separation via aggregation of Ag-rich nanospheres was found to promote the precipitation of Cu-rich nanocrystals.Coupling of composition and dynamics heterogeneities was supposed to play a key role during phase separation preceding crystallization.

The effect of array periodicity on the filtering characteristics of metal/dielectric photonic crystals

We present a both theoretical and experimental investigation into the effect of array periodicity on the filtering characteristics of metal/dielectric photonic crystals（MDPhCs） with hexagonal arrays of subwavelength holes in gold/silicon dioxide films,varying the array periodicity from 6 to 8μm every 1μm while the ratio of hole radius to array periodicity is kept constant（1/4）.The results indicate that the reflectance spectrum is highly dependent on the array periodicity.When the array periodicity increases,the reflectance spectrum exhibits a large redshift regularly.The finite difference time domain（FDTD） simulations agree well with the experimental results. By analyzing the relationship between the position of the reflectance minimum and the array periodicity,we find that the filtering characteristics of MDPhCs have an almost linear relationship with the array periodicity under the conditions of keeping the same ratio of hole radius to array periodicity（1/4）.This finding provides an effective way to control the filtering characteristics of MDPhCs,which have potential applications in optical filters,plasmonic thermal emitters and so on.

Synthesis and crystal structure of Ni,Cu complexes of 5-methyl-10,10,15,15,20,20-hexaethylcalix[4]pyrrole mono-Schiff bases

The functionalized calix[4]pyrrole meso-substituted Schiff bases were conveniently prepared by four- step synthetic route. Furthermore, the nickel and copper complexes of calix[4]pyrrole meso-substituted Schiff base with 1：2 stoichiometry were obtained. The crystal structures of the calix[4]pyrroles and their metal complexes were determined by X-ray diffraction.

Synthesis,crystal structures and complexing ability of difunctionalized copillar[5]arene Schiff bases

An efficient method for the synthesis of some difunctionalized copillar[5]arene Schiff bases from condensation of salicylaldehyde and its 5-chloro,5-bromo,3,5-di（t-butyl） substituted derivatives with corresponding diamino-functionalized copillar[5]arene,which were prepared by Gabriel reaction according to the reported method.Single-crystals of six copillar[5]arenes were determined by X-ray diffraction.An ORTEP of compounds showed that the two chains units of Schiff base exist in the outside of the cavity of pillar[5]arene.Furthermore,the complexing ability of these Schiff bases to transition metal ions were investigated by UV and fluorescence spectroscopy.

An experimental study on grinding of Zr-based bulk metallic glass

There are limited studies in the literature about machinability of bulk metallic glass （BMG）. As a novel and promising structural material, BMG material machining characteristics need to be verified before its utilization. In this paper, the effects of cutting speed, feed rate, depth of cut, abrasive particle size/type on the BMG grinding in dry conditions were experimentally investigated. The experimental evaluations were carried out using cubic boron nitride （CBN） and A1203 cup wheel grinding tools. The parameters were evaluated along with the results of cutting force, temperature and surface roughness measurements, X-ray, scanning electron microscope （SEM） and surface roughness analyse. The results demonstrated that the grinding forces reduced with the increasing cutting speed as specific grinding energy increased. The effect of feed rate was opposite to the cutting speed effect, and increasing feed rate caused higher grinding forces and substantially lower specific energy. Some voids like cracks parallel to the grinding direction were observed at the edge of the grinding tracks. The present investigations on ground surface and grinding chips morphologies showed that material removal and surface formation of the BMG were mainly due to the ductile chip formation and ploughing as well as brittle fracture of some particles from the edge of the tracks. The roughness values obtained with the CBN wheels were found to be acceptable for the grinding operation of the structural materials and were in the rangeof 0.34-0.58 lam. This study also demonstrates that con- ventional A1203 wheel is not suitable for grinding of the BMG in dry conditions.

A Self‑Regenerable Fiber Sloughing Its Heavy Metal Skin for Ultrahigh Separation Capability

Developing efficient separation materials for recovering metal resources from aqueous environments is crucial for the sustainable water–food–energy nexus,which addresses the interdependence between energy production,water production,and energy consumption.Various material-based separation processes have demonstrated outstanding performance.However,electric energy and chemicals are used to frequently replace the separation materials used in such processes owing to their short life span.This study presents a methodology for designing the self-regenerable fiber(SRF)according to the types of metals through a self-regeneration model.The SRF can semi-permanently recover the metal resources from water through a repetitive adsorption–crystallization–detachment process of metal ions on its surface.The ionic metal resources are adsorbed and crystallized with the counter-anions on the SRF surface.Next,the metal crystals are self-detached from the SRF surface by the collision between the crystals and curvature and non-sticky surface of the SRF.Thus,a module containing the SRF maintains its metal recovery capability even during continuous injection of the metal solution without its replacement.These findings highlight the significance of interfacial engineering and further guide the rational design of energy/environmentally friendly resource recovery modules.

Structural elucidation, theoretical investigation using DFT calculations,thermal and dielectric analyses of new zinc(Ⅱ) based inorganic–organic hybrid

A novel interesting d^（10） metal hybrid, [1,2-C_6H_（10）（NH_3）_2]ZnCl_4; 1,2-diammoniumcyclohexane tetrachlorozincate（II） was grown, structurally characterized and their vibrational as well as thermal and dielectric proprieties were studied. A preliminary single crystal X-ray diffraction structural analysis has revealed that the latter crystallizes in the monoclinic system（space group C2/c）. Its unit cell dimensions are a = 32.394（9） ？, b = 12.217（4） ？, c = 10.175（3） ？, β = 97.852（13）° with Z = 12 and the refinement converged to R = 0.034 and ωR = 0.065. Hirshfeld surface analyses, especially d_（norm）surface and fingerprint plots were used for decoding intermolecular interactions in the crystal network. The optimized geometric parameters, normal mode frequencies and corresponding vibrational assignments of the present compound were theoretically examined by the DFT/B3 LYP method with the Lan L2 DZ basis set. The thermal and dielectric analyses suggested the presence of ferroelectric phase transition at 314 K.