MY RESEARCH ACHIEVEMENTS IN POWDER X-RAY DIFFRACTION & PHASE DIAGRAMS

I graduated from the Department of Chemistry, Xiamen University in 1955, majoring in physical chemistry. I went to the Institute of Metallurgy under the Soviet Academy of Sciences in 1956 as a Ph.D.candidate in thermochemistry and crystal chemistry of metal alloys,and got my Ph.D.degree in 1960.In the following 30 years, I did basic and applied research in interdisciplines,including crystal chemistry,materials science and solid state physics.My main achievements can be listed in two aspects as follows:

Rietveld refinement of powder X-ray diffraction,microstructural and mechanical studies of magnesium matrix composites processed by high energy ball milling

This research reports the processing of magnesium matrix composites reinforced with silicon carbide(SiC)and aluminium oxide(Al_(2)O_(3))using powder metallurgy technique through high energy milling.Samples of Mg-SiC and Mg-Al_(2)O_(3)composites subjected to high energy ball milling for different vol%of secondary particles 20,30 and 40%of SiC and Al_(2)O_(3)are studied by X-Ray diffraction technique.The rietveld method as implemented in the Fullprof program is applied in order to determine the quantities of the resulting crystalline phases and amorphous phases at each stage of the mechanical treatment.Microstructural examination is carried out using Scanning Electron Microscope(SEM).In addition,crystal structural analysis using appropriate size and strain models is performed in order to handle the distinctive anistrophy that is observed in convinced crystallographic directions for the magnesium composite.The results are furnished in terms of crystalline domains size enlargement of the magnesium composites phases upon prolonged milling duration and discussed in the light of up to date views and theories on crystal growth of nanocrystaline materials.The hardness of the composite samples is calculated by Vickers’s Hardness tester.Further,dry sling wear test and corrosion test are performed for the fabricated composites.Composite with 30%secondary particles incorporated magnesium composites exhibits better wear and corrosion resistance than the other composites.

Powder x-ray diffraction and Rietveld analysis of (C_(2)H_(5)NH_(3))_(2)CuCl_(4)

Structural properties of the organic-inorganic hybrid(C_(2)H_(5)NH_(3))_(2)CuCl_(4) have been investigated by means of x-ray powder diffraction and Rietveld analysis. A structural phase transition from Pbca to Aba2 occurs at T_(4)= 240 K, which results in a paraelectric–ferroelectric phase transition. The release of the Jahn–Teller distortion with increasing temperature toward T_(4) is revealed by the structural analysis.

Investigation of bubbles escape behavior from low basicity mold flux for high-Mn high-Al steels using 3D X-ray microscope

During the continuous casting process of high-Mn high-Al steels,various types of gases such as Ar need to escape through the top of the mold.In which,the behavior of bubbles traversing the liquid slag serves as a restrictive link,closely associated with viscosity and the thickness of liquid slag.In contrast to two-dimensional surface observation,three-dimensional(3D)analysis method can offer a more intuitive,accurate,and comprehensive information.Therefore,this study employs a 3D X-ray microscope(3D-XRM)to obtained spatial distribution and 3D morphological characteristics of residual bubbles in mold flux under different basicity of liquid slag,different temperatures,and different holding times.The results indicate that as basicity of slag increases from 0.52 to 1.03,temperature increases from 1423 to 1573 K,the viscosity of slag decreases,the floating rate of bubbles increases.In addition,when holding time increases from 10 to 30 s,the bubbles floating distance increases,and the volume fraction and average equivalent sphere diameter of the bubbles solidified in the mold flux gradually decreases.In one word,increasing the basicity,temperature,and holding time leading to an increase in the removal rate of bubbles especially for the large.These findings of bubbles escape behavior provide valuable insights into optimizing low basicity mold flux for high-Mn high-Al steels.

Robust interface and excellent as-built mechanical properties of Ti–6Al–4V fabricated through laser-aided additive manufacturing with powder and wire

The feasibility of manufacturing Ti-6Al-4V samples through a combination of laser-aided additive manufacturing with powder(LAAM_(p))and wire(LAAM_(w))was explored.A process study was first conducted to successfully circumvent defects in Ti-6Al-4V deposits for LAAM_(p) and LAAM_(w),respectively.With the optimized process parameters,robust interfaces were achieved between powder/wire deposits and the forged substrate,as well as between powder and wire deposits.Microstructure characterization results revealed the epitaxial prior β grains in the deposited Ti-6Al-4V,wherein the powder deposit was dominated by a finerα′microstructure and the wire deposit was characterized by lamellar α phases.The mechanisms of microstructure formation and correlation with mechanical behavior were analyzed and discussed.The mechanical properties of the interfacial samples can meet the requirements of the relevant Aerospace Material Specifications(AMS 6932)even without post heat treatment.No fracture occurred within the interfacial area,further suggesting the robust interface.The findings of this study highlighted the feasibility of combining LAAM_(p) and LAAM_(w) in the direct manufacturing of Ti-6Al-4V parts in accordance with the required dimensional resolution and deposition rate,together with sound strength and ductility balance in the as-built condition.

A novel solution treatment and aging for powder bed fusion-laser beam Ti-6Al-2Sn-4Zr-6Mo alloy:Microstructural and mechanical characterization

Ti-6Al-4Zr-2Sn-6Mo alloy is one of the most recent titanium alloys processed using powder bed fusion-laser beam(PBF-LB)technology.This alloy has the potential to replace Ti-6Al-4V in automotive and aerospace applications,given its superior mechanical properties,which are approximately 10%higher in terms of ultimate tensile strength(UTS)and yield strength after appropriate heat treatment.In as-built conditions,the alloy is characterized by the presence of soft orthorhombicα″martensite,necessitating a postprocessing heat treatment to decompose this phase and enhance the mechanical properties of the alloy.Usually,PBFed Ti6246 components undergo an annealing process that transforms theα″martensite into anα-βlamellar microstructure.The primary objective of this research was to develop a solution treatment and aging(STA)heat treatment tailored to the unique microstructure produced by the additive manufacturing process to achieve an ultrafine bilamellar microstructure reinforced by precipitation hardening.This study investigated the effects of various solution temperatures in theα-βfield(ranging from 800 to 875℃),cooling media(air and water),and aging time to determine the optimal heat treatment parameters for achieving the desired bilamellar microstructure.For each heat treatment condition,differentα-βmicrostructures were found,varying in terms of theα/βratio and the size of the primaryα-phase lamellae.Particular attention was given to how these factors were influenced by increases in solution temperature and how microhardness correlated with the percentage of the metastableβphase present after quenching.Tensile tests were performed on samples subjected to the most promising heat treatment parameters.A comparison with literature data revealed that the optimized STA treatment enhanced hardness and UTS by13%and 23%,respectively,compared with those of the annealed alloy.Fracture surface analyses were conducted to investigate fracture mechanisms.

Thermal expansion of kyanite at ambient pressure:An X-ray powder diffraction study up to 1000℃

The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental temperature range. Data for the unit-cell parameters and temperatures were fitted empirically resulting in the following thermal expansion coefficients： αa = 5.8（3） × 10^-5, αb = 5.8 （1）× 10^-5, αc = 5.2（1）× 10^-5, and αv = 7.4（1） × 10^-3 ℃ 1 in good agreement with a recent neutron powder diffraction study. On the other hand, the variation of the unit-cell angles α, β and γ of kyanite with increase in temperature is very complicated, and the agreement among all studies is poor. The thermal expansion data at ambient pressure reported here and the compression data at ambient temperature from the literature suggest that, for the kyanite lattice, the most and least thermally expandable directions correspond to the most and least compressible directions, respectively.

The determination of the crystal struoure of tetra-potassium uranyl tricarbonate by powder X-ray diffraction method

A uranyl compound, K_4UO_2(CO_3)_3 has been characterized by powder X-ray diffraction method. M. W.=606.46, monoclinic, C2/c (No. 15), a=1.0240(7), b=0.9198(4), c=1.2222(12)nm, β=95.12(4)°,V=1.1466(5)nm^3, Z=4, D_m=3.468g/cm^3, D_c=3.513g/cm~, λ(Cu Kα_1)=O.1540598nm, T=298K. The structure was solved by heavy atom method and Fourier synthesis, and refined by full- matrix least-squares method to R=0.1185 for 275 reflections. The uranium (Ⅵ) atom is in an eight-coordinate distorted hexagonal-bipyramidal environment with creasy fan shape. The linear uranyl group approaches to perpendicular to the equatorial plane in which three carbonate groups are chelated. U(Ⅵ) has two linear oxygen atoms closer to it (U-O=0.1767 (5) nm) than six other neighbours (U-O ranging from 0.2516 to 0.2568nm). The distances between carbon atoms and uncoordinated oxygen atoms are 0.122 (1) and 0.123(1) nm, which are distinctly different from those between carbon and coordinated oxygen atoms (mean 0.134(6) nm). This fact reveals the non-eq- uivalence of one oxygen atom to the other two in each carbonate. In K_4UO_2(CO_3)_3, the O-O dis- tance for the adjacent carbonate groups is 0.2794(4)nm approaching to the sum of Van der Waals radii of two oxygen atoms. The K-O distances vary between 0.2667 and 0.3131nm, and each anion is immediately surrounded by six potassium ions, only four of which can be considered to belong to the same structural formula unit, and they are symmetrically located above and below the equatorial plane.

Ab initio Structure Determination of [Co(NH_3)_5Br]Br_2 Using Conventional X-ray Powder Diffraction

The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.

Chemical Analysis of Hydroxyapatite Artificial Bone Powders by Energy Dispersive X-Ray Fluorescence Spectrometry(EDXRF)

Stoichiometric hydroxyapatite(HA)nanoparticles were synthesized by a wet chemical method.Calcium nitrate tetra hydrate used as calcium source and dibasic ammonium phosphate used as phosphorous source.Calcium nitrate tetra hydrate and dibasic ammonium phosphate solutions were prepared by dissolving the salts in distilled water.Stoichiometric hydroxyapatite nanoparticles used by artificial bone powders and synthesized by a wet chemical method were analyzed using EDXRF method.The concentrations of K,Ca,Ti,V,Cr,Fe,Ni,Cu,Sr and Pb for artificial bone powders have been determined.Besides,Calcium contents were evaluated according to the agitation time and temperature in the production process.

Rietveld Refinement and X-ray Powder Diffraction Data of GdAlSi

The X-ray powder diffraction data of the compound GdAlSi was studied by means of X-ray diffraction technique and refined by Rietveld method. The compound GdAlSi has tetragonal α-ThSi_2-type structure, space group I4_1/amd (No.141), Z=4, the lattice parameters a=041234 (1) nm, c=1.44202(1) nm. The Smith and Snyder figure of merit [5] F_N is F_ 30=2521(36). The R-factors of Rietveld refinement are R_p=0.098 and R_ wp=0.128. The X-ray powder diffraction data are given. The field dependence of the magnetization measured at room temperature and the temperature variation of the inverse magnetic susceptibility of the compound GdAlSi were also presented.

X-ray Powder Diffraction Data and Rietveld Refinement for NdCoGe_3

オ-ray powder diffraction data and crystal structure of RE compound NdCoGe3 were studied by using X-ray powder diffraction and refined by the Rietveld profile fitting method. The compound has the tetragonal BaNiSn3type structure, space group I4mm (No.107) a=0.42961(2) nm, c=098147(4) nm, V=0.018114 nm3, Z=2 and Dx=7.717 g·cm-3. The figure of merit FN for the powder data is F30=623 (0.0107, 45). Structure refinement was performed with 110 reflections and led to Rp=11.78% and Rwp=16.56%.

X-ray Powder Diffraction Pattern of Bi_4(SiO_4)_3

In cooperation with figure-of-merits the Rietveld analysis can appraise both angular and intensity data of powder diffraction. In this work, X-ray diffraction pattern of Bi4(SiO4)3 was redetermined with intensity figure-of-merits, which qualify agreement between observed and calculated relative intensities. F30 is 158.90 (0.0059, 32), intensity figure of merit Rint is 8.7, I20(17), 8.0. The values of figure-of-merits show that the data of JCPDS cards are distorted. Both the experimental and calculated peak positions and heights are listed in detail.

X-RAY POWDER DIFFRACTION STUDY FOR RE COMPOUND GdNiSn

The compound GdNiSn has been studied by X-ray powder diffraction technique.The crystal structure and the X-ray diffraction data for this compound at room temperature are reported.The compound GdNiSn is orthorhombic with lattice parameters a=7.2044(1)A,b=7.6895(6)A,c=4.4772(4)A,space group Pna2_(1) and 4 formula units of GdNiSn in unit cell.The Smith and Snyder figure of index F_(30) for this compound is 35(0.015,59).

CRYSTAL STRUCTURE AND X-RAY POWDER DIFFRACTION DATA FOR RE COMPOUND HoNiSb

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CRYSTAL DATA AND ASSIGNMENT OF POWDER X-RAY DIFFRACTION PATTERN OF 107 K SINGLE SUPERCONDUCTING PHASE IN Pb-Bi-Sr-Ca-Cu-O SYSTEM

In the Bi-Sr-Ca-Cu-O superconductor system, two superconducting phases (85K and 105K) were found by Maeda et al. By substituting Pb, enhanced superconducting properties and structure stabilization in these compounds have been reported. Recently, the

Characterization, preparation, and reuse of metallic powders for laser powder bed fusion: a review

Laser powder bed fusion(L-PBF) has attracted significant attention in both the industry and academic fields since its inception, providing unprecedented advantages to fabricate complex-shaped metallic components. The printing quality and performance of L-PBF alloys are infuenced by numerous variables consisting of feedstock powders, manufacturing process,and post-treatment. As the starting materials, metallic powders play a critical role in infuencing the fabrication cost, printing consistency, and properties. Given their deterministic roles, the present review aims to retrospect the recent progress on metallic powders for L-PBF including characterization, preparation, and reuse. The powder characterization mainly serves for printing consistency while powder preparation and reuse are introduced to reduce the fabrication costs.Various powder characterization and preparation methods are presented in the beginning by analyzing the measurement principles, advantages, and limitations. Subsequently, the effect of powder reuse on the powder characteristics and mechanical performance of L-PBF parts is analyzed, focusing on steels, nickel-based superalloys, titanium and titanium alloys, and aluminum alloys. The evolution trends of powders and L-PBF parts vary depending on specific alloy systems, which makes the proposal of a unified reuse protocol infeasible. Finally,perspectives are presented to cater to the increased applications of L-PBF technologies for future investigations. The present state-of-the-art work can pave the way for the broad industrial applications of L-PBF by enhancing printing consistency and reducing the total costs from the perspective of powders.

M^(3)Res-Transformer:新冠肺炎胸部X-ray图像识别模型

新冠肺炎(COVID-19)自爆发以来严重影响人类生命健康,近年来残差神经网络广泛应用于COVID-19识别任务中,辅助医生快速地诊断COVID-19患者,但是COVID-19图像病变区域形状复杂、大小不一,与周围组织的边界模糊,导致网络难以提取有效特征.本文针对上述问题,提出一种M^(3)Res-Transformer的新冠肺炎胸部X-ray图像识别模型,采用Res-Transformer作为模型的主干网络,结合ResNet和ViT,有效地整合局部病变特征和全局特征;设计混合残差注意力模块(mixed residual attention Module,mraM),同时考虑通道和空间位置的相互依赖性,增强网络的特征表达能力;为了增大感受野,提取多尺度特征,通过叠加具有不同扩张率的扩张卷积构造多尺度扩张残差模块(multiscale dilated residual Module,mdrM),根据不同层次特征尺度的差异,使用3个逐渐收缩尺度的mdrM进行多尺度特征提取;提出上下文交叉感知模块(contextual cross-awareness Module,ccaM),使用深层特征中的语义信息来引导浅层特征,然后将浅层特征中的空间信息嵌入深层特征中,采用交叉加权注意力机制高效聚合深层和浅层特征,获得更丰富的上下文信息.为了验证本文所提模型的有效性,在新冠肺炎胸部X-ray图像数据集上进行实验,与先进的CNN分类模型、融合不同注意力机制的ResNet50模型、基于Transformer的分类模型对比以及消融实验.结果表明,本文所提模型的Acc、Pre、Rec、F1-Score与Spe指标分别为96.33%、96.36%、96.33%、96.35%与96.26%,在COVID-19胸部X-ray图像识别任务中有效提升了识别精度,并通过可视化方法对其进行进一步验证,为COVID-19的辅助诊断提供重要的参考价值.

Neutron powder diffraction and high-pressure synchrotron x-ray diffraction study of tantalum nitrides

Tantalum nitride （TAN） compact with a Vickers hardness of 26 GPa is prepared by a high-pressure and high- temperature （HPHT） method. The crystal structure and atom occupations of WC-type TaN have been investigated by neutron powder diffraction, and the compressibility of WC-type TaN has been investigated by using in-situ high-pressure synchrotron x-ray diffraction. The third-order Birch-Murnaghan equation of state fitted to the x-ray diffraction pressure- volume （P-V） sets of data, collected up to 41 GPa, yields ambient pressure isothermal bulk moduli of B0 = 369（2） GPa with pressure derivatives of B~ = 4 for the WC-type TaN. The bulk modulus of WC-type TaN is not in good agreement with the previous result （Bo = 351 GPa）, which is close to the recent theoretical calculation result （Bo = 378 GPa）. An analysis of the experiment results shows that crystal structure of WC-type TaN can be viewed as alternate stacking of Ta and N layers along the c direction, and the covalent Ta-N bonds between Ta and N layers along the c axis in the crystal structure play an important role in the incompressibility and hardness of WC-type TaN.

X-ray在鱼体组织及微量元素检测中的应用

鱼类硬质组织物,特别是骨骼支持鱼体和保护其体内器官的组织,对其进行特征检测分析是研究鱼类游泳运动、鱼类解剖、鱼体建模等的数据基础。随着X-ray技术的发展和国产设备的广泛应用,其仪器设备成本明显降低,使得X-ray在渔业研究与自动化生产中的应用成为可能。首先介绍了X-ray技术的基本原理与其在鱼体组织检测中的应用,X-ray技术在鱼体组织及微量元素检测中的应用主要分为鱼类组织器官的无损检测和鱼体微量元素检测两部分,其中分别介绍了包括照相法、数字成像法、衍射技术和吸收光谱法等X-ray技术;然后综述其在鱼体组织器官建模、鱼骨检测、鱼类化石研究、鱼耳石分析和鱼体微量元素检测方面的应用,总结了Xray在渔业领域应用中存在的问题;最后对X-ray的渔业应用方向进行展望。