Ti-2Al-2.5Zr合金He离子辐照效应研究

在Ti-2Al-2.5Zr合金中注入能量为75 keV的He离子,注入剂量分别为5×1016cm-2,1×1017 cm-2。通过显微硬度测量和剖面电子显微观察,研究了He离子对Ti-2Al-2.5Zr合金力学性能和显微组织的影响。结果表明:样品的显微硬度随He离子注量的增加而升高,在温度为350和550 ℃的Ar气中退火后硬度有所下降。剖面电子显微观察发现有位错环和He气泡生成,退火后He气泡有长大、缺陷有回复的趋势。辐照产生的位错环是辐照后硬度升高的直接原因,其退火发生回复又引起硬度随退火温度的升高而降低。     

离子注入/辐照引起Al2O3单晶的改性研究

600K温度下用110keV的He^＋,Ne^＋,Ar^＋离子注入及320K温度下用230MeV的^208Pb^27＋辐照Al2O3单晶样品,研究了离子注入和辐照对Al2O3单晶样品结构和光学特性的影响。从测得的光致发光谱可以清楚地看到,所有样品在波长为375,413和450nm处出现了强的发光峰。且所有5×10^16ion／cm^2注入样品的发光峰均最强。经过高能Pb辐照后的样品,在390nm处出现了新的发光峰。透射电镜分析发现在注入氖样品100nm入射深度以内形成了高浓度的小空洞（1-2nm）,在Ne沉积区域有少量大空洞形成。傅立叶变换红外光谱分析发现,波数在460-510cm^-1间的振动吸收带经过离子辐照后展宽,随着辐照量的增大,该振动吸收强度显著减弱。1000—1300cm^-1对应Al-O-Al桥氧伸缩振动模式的吸收带,辐照后向高波数方向移动。对离子注入和辐照对Al2O3单晶样品结构损伤机理进行了初步探讨。Single crystal sapphire （Al2O3 ） samples were implanted at 600 K by He, Ne and Ar ions with energy of 110 keV to doses ranging from 5 × 10^16 to 2× 10^17 ion/cm^2 or irradiated at 320 K by ^208Pb^27＋ ion with energy of 1.1 MeV/u to the fluences ranging from 1 × 10^12 to 5 × 10^14 ion/cm^2. The modification of structure and optical properties induced by ion implantation or irradiation were analyzed by using photoluminescence（PL） and Fourier transformation infrared spectrum（FIR） spectra and transmission electron microscopy（ TEM ） measurements. The PL measurements showed that absorption peaks located at 375,413 and 450 nm appeared in all the implanted or irradiated samples, the PL intensities reached up to the maximum for the 5 × 10^16 ion/cm^2 implanted samples. After Pb-ion irradiation, a new peak located at 390 nm formed. TEM analyses showed that small size voids,（ 1--2 nm） with high density were formed in the region from the surface till to about 100 nm in depth and also large size Nebubble formed in the Ne-doped region. From the obtained FTIR spectra, it was found that Pb-ion irradiation induced broadening of the absorption band in 460-510 cm^-1 and position shift of the absorption band in 1 000- 1 300 cm^- 1 towards to high wavenumber. The possible damage mechanism in single crystal sapphire induced by energetic ion implantation or irradiation was briefly discussed.     

第一性原理研究Zr的掺杂对Xe在UO_2中溶解能力的影响

Zr既是反应堆中核燃料组件的包壳材料,也是核燃料UO_2的一种裂变产物,不可避免地会掺杂到UO_2中,对其性质等产生一定的影响.本文通过第一性原理密度泛函理论计算,研究了Zr掺杂所引起的Xe在UO_2中溶解能力的变化.首先应用引入Hubbard U修正的广义梯度近似密度泛函计算了U,O间隙和空位缺陷的形成能,结果与文献值符合,验证了计算方法的可靠性.在此基础上对Zr掺杂后空位缺陷的形成能及Xe吸附到空位缺陷所需的结合能的变化情况进行了研究.结果表明,Zr的掺杂会增加空位缺陷的形成能,减小大部分Xe吸附的结合能,且空位缺陷形成能的变化量普遍更大,从而在整体上增加了Xe在UO_2中的溶解能.说明在UO_2中,Zr掺杂主要是通过增加缺陷的形成难度而减弱了Xe在其中的溶解能力.     

高能Xe离子辐照引起的注碳a:SiO2中新结构的形成

先用120keV的碳离子注入非晶二氧化硅a:SiO2薄膜，再用能量为1754MeV的Xe离子辐照。注碳量为5．0×10^16—8．6×10^17ion／cm^2，Xe离子辐照剂量为1．0×10^11和5．0×10^11ion／cm^2。辐照后的样品中形成的新结构用显微傅立叶变换红外光谱仪进行测试分析。结果表明，Xe离子辐照引起了注碳a:SiO2中Si—C，C—C，Si—O—C键以及CO和CO2分子的形成与演化。在注碳量较高时，Xe离子辐照在样品中产生了大量的Si—C键。与注入未辐照和辐照的低注碳量样品比较，增强的Si—C键的形成，预示着辐照可引起注碳a:SiO2样品中的SiC结构相变。Amorphous silicon-dioxide （a:SiO2） films were firstly implanted at room temperature （RT） with 120 keV C-ions to doses ranging from 5.0 × 10^16 to 8.6 × 10^17 ion/cm^2, and then the C-doped a:SiO2 films were irradiated at RT with 1 754 MeV Xe ions to 1.0 × 10^11 and 5.0 × 10^11 ion/cm^2, respectively. The information of new tex- ture formation in the C-doped SiO2 films after high-energy Xe ion irradiation was investigated using micro-FTIR measurements. The obtained results showed that Si--C, C--C, Si--O--C bonds as well as CO and CO2 molecules were formed in the C-doped a-SiO2 films after Xe ion irradiation. Furthermore, Xe-ion irradiation induced a plenteous formation of Si--C bonds in the high dose C-ion implanted a:SiO2 films. Compared with the C-implanted sampies without Xe-ion irradiation and the low dose C-implanted samples with Xe-ion irraddiation, the enhanced and plenty of Si--C bond formation implied that the phase of SiC structures may be produced by Xe-ion irradiation in the high dose C-ion implanted a:SiO2 films.     

高能Pb离子辐照注碳SiO2的红外谱研究

室温下,先用120keV的C离子注入二氧化硅薄膜样品至剂量2.0×1017、5.0×1017或8.6×1017ions/cm2,再用950MeV的Pb离子分别辐照至剂量5.0×1011、1.0×1012或3.8×1012 ions/cm2,然后测量样品的傅里叶变换红外(FTIR)光谱. 通过分析测量得到的傅里叶变换红外谱,发现Pb离子辐照在注碳SiO₂样品中可引起大量的Si－C和Si (C)－O－C等化学键的形成,大剂量Pb离子辐照可在大剂量注碳的SiO₂中产生分子CO₂. 大量的Si－C键的存在和分子CO₂的形成,预示着高能Pb离子辐照在注碳SiO₂样品中有可能形成了纳米Si团簇和/或SiC晶粒.     

金红石TiO2辐照损伤模拟研究

利用分子动力学方法对金红石TiO2 中O及Ti沿着不同方向的离位阈能进行模拟计算,结果表明:各方向O的离位阈能普遍低于Ti的离位阈能,O的离位阈能基本在 27.50～77.50 eV之间,而Ti的离位阈能在 90.00～120.00 eV之间.同时对能量为 1.0、5.0 和 10.0 keV的O PKA及Ti PKA造成的级联辐照损伤进行探究,结果表明:能量小于 10.0 keV的O PKA及Ti PKA产生的主要是点缺陷,且点缺陷的数量在0.10～0.20 ps内达到峰值,在经过数ps的演化后,超过 90.0%以上的缺陷复合,只有不足 10.0%的缺陷保留下来,即金红石TiO2 中的缺陷在缺陷产生初期有较高的自我恢复能力.     

Au在Zr掺杂的CeO2(110)面吸附的第一性原理研究

采用基于广义梯度近似的投影缀加平面波(projector augmented wave)雁势和具有三维周期性边界条件的超晶胞模型,用第一性原理方法,计算并分析了Au在CeO₂(110)和Zr掺杂的CeO₂(110) 面的吸附能,吸附结构和电子结构等特征.从而得出Zr掺杂对Au/CeO₂(110)吸附体系的影响.结果表明：Zr的掺杂增大了Au在CeO₂(110) 面的吸附能,并改变了最强吸附位置,且导致了吸附体系中衬底结关键词：AuZr掺杂2')\" href=\"#\">CeO₂吸附     

等价电子数组元Heusler合金Fe_2RuSi中的原子占位

对等价电子数组元Heusler合金Fe_2RuSi的原子占位、电子结构与磁性进行了理论与实验研究.第一性原理计算表明,虽然Fe_2RuSi中Fe,Ru均有8个价电子,但是Ru仍表现出强烈的占据A,C晶位倾向.基态总能最低的是Fe与Ru分别占据A,C晶位的XA结构,次低的是Fe,Ru在A,C位混乱占位的L2_1B结构,且两者能量差很小.这说明决定Heusler合金中过渡族原子占位的因素除价电子数以外还可能有原子半径和共价杂化作用等.态密度和差分电荷密度计算表明Heusler合金中主族元素与最近邻过渡族元素之间的p-d共价杂化对Heusler合金的占位有明显影响,在XA结构中Ru与Si和Fe(B)之间都存在明显的杂化作用,而在高能的L2_1结构中,Si与最近邻的Fe杂化作用相当弱.XRD测试表明在室温Fe_2RuSi存在A,C位之间的Fe-Ru反占位,形成了能量次高的L21B结构,这主要来自于混合熵对自由能的贡献及其引起的原子自发混乱占位.在5 K下Fe_2RuSi的饱和磁矩为4.87μB/f.u.,与计算值符合得相当好.     

第一性原理研究反Heusler合金Ti2RuSn的Y位Rh掺杂效应

本文基于第一性原理计算方法,通过对具有半金属性的反Heusler合金Ti2RuSn的Y位进行多d电子掺杂,来探究其掺杂前后的相关特性及掺杂机理,以便寻求半金属性更稳定的Heusler合金材料,为后续相关理论研究及实验提供一定参考。在掺杂过程中随着Rh元素掺杂浓度的增加,反Heusler合金Ti2RuSn的磁性呈线性增加,由未掺前的2μB增加到全掺时的3μB,同时其半金属性并未受到破坏且其带隙在逐渐变宽。在掺杂浓度为75%时,掺杂体的带隙宽度由未掺前的0.45 eV展宽到0.54 eV,同时费米面被调节到带隙中部靠上位置,这说明化合物Ti2Ru0.75Rh0.75Sn较未掺杂前具有相对稳定的半金属性。为分析掺杂体系的稳定性,我们计算了它们的相对形成能,结果表明,在掺杂浓度范围内,体系的形成能都为负值,并且掺杂浓度越高,其值越低。这说明反Heusler合金Ti2RuSn容易受到掺杂元素Rh的影响,并且大浓度的Rh掺杂可以有效地调节反Heusler合金Ti2RuSn的电子结构及能带结构,得到稳定性更好,使用性能及实用性更高的Heusler合金化合物。     

BaF_2晶体中子辐照效应的研究

研究了ＢａＦ２ 晶体经中子辐照后的荧光发射谱及正电子湮没寿命谱。对它们的变化规律进行了解释。探讨了ＢａＦ２ 晶体经中子辐照后出现的现象和机理。     

Surface structures and osteoblast response of hydrothermally produced CaTiO3 thin film on Ti-13Nb-13Zr alloy

This study investigated the surface characteristics and in vitro biocompatibility of a titanium (Ti) oxide layer incorporating calcium ions (Ca) obtained by hydrothermal treatment with or without post heat-treatment in the Ti-13Nb-13Zr alloy. The surface characteristics were evaluated by scanning electron microscopy, thin-film X-ray diffractometry, X-ray photoelectron spectroscopy, atomic force microscopy and contact angle measurements. In vitro biocompatibility of the Ca-containing surfaces was assessed in comparison with untreated surfaces using a pre-osteoblast cell line. Hydrothermal treatment produced a crystalline CaTiO₃ layer. Post heat-treatment at 400 °C for 2 h in air significantly decreased water contact angles in the CaTiO₃ layer (p < 0.001). The Ca-incorporated alloy surfaces displayed markedly increased cell viability and ALP activity compared with untreated surfaces (p < 0.001), and also an upregulated expression of various integrin genes (α1, α2, α5, αv, β1 and β3) at an early incubation time-point. Post heat-treatment further increased attachment and ALP activity in cells grown on Ca-incorporated Ti-13Nb-13Zr alloy surfaces. The results indicate that the Ca-incorporated oxide layer produced by hydrothermal treatment and a simple post heat-treatment may be effective in improving bone healing in Ti-13Nb-13Zr alloy implants by enhancing the viability and differentiation of osteoblastic cells.     

He离子注入单晶Si纳米气泡形成生长及其应用探讨

首先简述了He离子注入单晶Si引起的气泡形成、生长以及其它缺陷对其生长的影响,介绍了Si中He气泡生长的可能微观机制以及它们在现代半导体技术中潜在的应用前景,提出了该领域研究有待解决的关键问题.He ion implantation induced bubbles or cavities in silicon have been paid more and more attentions due to their potential applications in modern semiconductor technology. In this paper, He ion implantation induced formation and growth of bubbles in silicon together with their interactions with other defects were first briefly reviewed. Then the possible growth mechanisms of He bubbles in silicon and their potential applications in modern semiconductor technology were described. Finally, we presented the ke...     

离子注入合成β-FeSi2薄膜的显微结构

采用MEVVA源(MetalVaporVacuumArcIonSource)离子注入合成βFeSi2薄膜,用常规透射电镜和高分辨电镜研究了不同制备参数下βFeSi2薄膜的显微结构变化.研究结果表明:调整注入能量和剂量,可以得到厚度不同的βFeSi2表面层和埋入层.制备过程中生成的α,β,γ和CsCl型FeSi2相的相变顺序为γFeSi2→βFeSi2→αFeSi2,CsClFeSi2→βFeSi2→αFeSi2或βFeSi2→αFeSi2.当注入参数增加到60kV,4×1017ionscm2,就会导致非晶关键词：β-FeSi2半导体薄膜金属硅化物离子注入透射电子显微镜     

Fabrication of Zr and Zr-N surface alloying layers and hardness improvement of Ti-6Al-4V alloy by plasma surface alloying technique

Titanium alloys are very attractive materials because they have high specific strength, excellent corrosion and erosion resistance in many active environments. However, their low hardness values and poor tribological properties require improvement of their surface properties. The present study is concerned with the fabrication of Zr and Zr-N alloying layers in the surfaces of Ti-6Al-4V substrates by plasma surface alloying technique. The microstructure, chemical composition and hardness of the surface alloying layers were analyzed to understand the mechanisms of surface alloying and hardness improvement. The Zr and Zr-N surface alloying layers formed were homogeneous and compact, in which the surface alloying elements all displayed gradient distributions. The Zr and Zr-N surface alloying layers all enhanced the surface hardness of Ti-6Al-4V alloy. Zr-N surface alloying resulted in greater improvement in hardness and the maximum microhardness of (1.37 ± 0.04) × 10³ HK was obtained at the subsurface, which was much higher than that of the untreated Ti-6Al-4V alloy. The Zr-N surface alloying layer consisted of an outer nitride layer and an inner diffusion zone of Zr and N, and its very high hardness owed to the formation of the nitride layer. The mechanism of hardness improvement of Zr surface alloyed Ti-6Al-4V alloy was solid solution strengthening.     

The study of damage and optical properties in LiNbO3 implanted by MeV Er and He ions

Abstract

Two LiNbO₃ (X and Y cut) crystals from different companies were implanted by 3.0 MeV Er ions to a dose of 7.5 × 10¹⁴ ions/cm² and 3.5 × 10¹⁴ ions/cm² with different beam current densities, respectively. After annealing at 1060°C in air for 2 hours, one LiNbO₃ sample was implanted by 1.5 MeV He ions to a dose of 1.5 × 10¹⁶ ions/cm². The Rutherford backscattering/channeling and prism coupling method have been used to study the damage and optical properties in implanted LiNbO₃. The results show: (1) the damage in LiNbO₃ created by 3.0 MeV Er ions depends strongly on the beam current density; (2) after annealing at 1060°C in air for 2 hours, a good Er doped LiNbO₃ crystal was obtained; (3) there is waveguide formation possible in this Er-doped annealed LiNbO₃ after 1.5 MeV He ion implantation. It is suggested that annealing is needed to remove the damage created by MeV Er ions before the MeV He ion implantation takes place, to realize the waveguide laser for Er doped LiNbO₃.     

Hydrogen peroxide treatment on Ti-6Al-4V alloy: A promising surface modification technique for orthopaedic application

Ti-6Al-4V alloy was treated with various concentrations (5 wt.%, 15 wt.% and 25 wt.%) of hydrogen peroxide (H₂O₂) and then heat treated to produce an anatase titania layer. The surface modified substrates were immersed in simulated body fluid (SBF) solution for the growth of an apatite layer on the surface and the formed apatite layer was characterized using various surface characterization techniques. The results revealed that titania layer with anatase nature was observed for all H₂O₂ treated Ti-6Al-4V alloy, irrespective of the H₂O₂ concentrations. Ti-6Al-4V alloy treated with 15 wt.% and 25 wt.% of H₂O₂ induced apatite formation, however 5 wt.% of H₂O₂ treated Ti-6Al-4V failed to form apatite layer on the surface. The electrochemical behaviour of H₂O₂ treated specimens in SBF solution was studied using potentiodynamic polarization and electrochemical impedance spectroscopy. Ti-6Al-4V alloy treated with 25 wt.% of H₂O₂ solution exhibited low current density and high charge transfer resistance values compared to specimens treated with other concentrations of H₂O₂ and untreated Ti-6Al-4V alloy.     

Surface phenomena of HA/TiN coatings on the nanotubular-structured beta Ti-29Nb-5Zr alloy for biomaterials

Surface phenomena of HA/TiN coatings on the nanotubular-structured beta Ti-29Nb-5Zr alloy for biomaterials have been investigated by several experimental methods. The nanotubular structure was formed by anodizing the Ti-29Nb-5Zr alloy in 1 M H₃PO₄ electrolytes with 1.0 wt.% NaF at room temperature. Hydroxyapatite (HA)/titanium nitride (TiN) films were deposited on Ti-29Nb-5Zr alloy specimens using a magnetron sputtering system. The HA target was made of human tooth-ash by sintering at 1300 °C for 1 h, and the HA target had an average Ca/P ratio of 1.9. The HA/TiN depositions were performed, using the pure HA target, on Ti-29Nb-5Zr alloy following the initial deposition of a TiN buffer layer coating. Microstructures and nanotubular morphology of the coated alloy specimens were examined by FE-SEM, EDX, XRD, and XPS. The Ti-29Nb-5Zr alloy substrate had small grain size and preferred orientation along the drawing direction. The HA/TiN coating was stable with a uniform morphology at the tips of the nanotubes.