Detection of hydrogen in neutron-irradiated nickel using positron lifetime spectroscopy

Hydrogen in nano-voids in neutron-irradiated nickel has been detected using positron annihilation lifetime spectroscopy (PALS). As positron lifetime is greatly affected by nano-voids bound with hydrogen, special attention was paid to the analysis. The positron lifetime of neutron-irradiated nickel at higher irradiation doses increased with the dose, which is an indicator for vacancy cluster (nano-void) formation in the lattice. The introduction of hydrogen in well-annealed nickel by electrical charging also resulted in an increase in positron lifetime due to vacancy formation. In neutron-irradiated nickel specimens, hydrogen charging shortened the positron lifetime from 456 to 334 ps (irradiation dose: 3 × 10^?3 dpa). Isochronal annealing behaviour of hydrogen-charged nickel and neutron-irradiated nickel was also studied. Positron trapping rate was calculated using a simple trapping model. Thermal desorption spectroscopy was used for the investigation of hydrogen behaviour in non-irradiated hydrogen-charged nickel.     

PdAgHx金属氢化物正电子湮没研究

在77—295 K温区和氢浓度0—0.35范围采用正电子湮没寿命测量方法研究了Pd0.75Ag0.25H_x氢化物合金. 充氢后正电子湮没寿命谱可以用两个寿命成分表征. 短寿命成分τ1不随温度和氢浓度变化, 是自由正电子湮没寿命; 长寿命成分τ2及其相对强度I2不随温度变化, 但随氢浓度的增加分别增大和减小, τ2是氢气泡捕获的正电子湮没寿命, τ2增大和I2减小说明随氢浓度增大氢聚集成的气泡的尺度增大, 而浓度减小. 实验结果表明, 氢脆的微观机理是氢气泡致脆. The metal hydride PdAgHx with a hydrogen concentration x ranging from 0 to 0.35 has been investigated by positron annihilation lifetime method in the temperature region between 77 K and 295 K. The measured lifetime spectra in metal hydride PdAgHx are characterized by two lifetimes τ1 and τ2. The short lifetime τ1 is independent of both hydrogen concentration and temperature, which is ascribed to the annihilation lifetime of free positrons. The long lifetime τ2 and its intensity I2 do not change with temperature, while τ2 increases and I2 decreases with increasing of hydrogen concentration. τ2 is attributed to the lifetime of positrons trapped at the hydrogen bubble. The increase of τ2 indicates the growth of the hydrogen bubble, and the decrease of I2 shows the reduction of the hydrogen bubble concentration. The experimental result shows a microscopic mechanism that the hydrogen bubble produced causes hydrogen embrittlement.     

等离子体喷涂层的正电子湮没研究

本文用正电子湮没技术对等离子体喷涂铜基合金压缩形变的微观缺陷进行了测量。对等离子体喷涂合金，随着压缩量的增加，正电子寿命变短，这一现象与常规合金中观察到的情况相反。     

Computational studies of the effect of hydrogen on the thermalized positron state in amorphous silicon

The two-component density functional theory is applied to the study of the thermalized positron state in simulated structures of hydrogenated amorphous silicon. Results show that positron properties in bulk and ad hoc defect structures are sensitive to the defect free-volume. Using the normalized positron density, it is determined that the thermalized positron state is weakly localized at hydrogen-decorated vacancy-like complexes, and not at microscopic open volume defects. These defect complexes form as clusters of hydrogen-passivated dangling bonds. It is also found that hydrogen enhances the delocalization of positron density in the simulated structures. The relevance of the present results to the interpretation of actual positron lifetime spectroscopy in real materials is discussed.     

Photoluminescence and positron annihilation spectroscopic investigation on a H(+) irradiated ZnO single crystal

Low temperature photoluminescence and room temperature positron annihilation spectroscopy have been employed to investigate the defects incorporated by 6?MeV H(+) ions in a hydrothermally grown ZnO single crystal. Prior to irradiation, the emission from donor bound excitons is at 3.378?eV (10?K). The irradiation creates an intense and narrow emission at 3.368?eV (10?K). The intensity of this peak is nearly four times that of the dominant near band edge peak of the pristine crystal. The characteristic features of the 3.368?eV emission indicate its origin as a 'hydrogen at oxygen vacancy' type defect. The positron annihilation lifetime measurement reveals a single component lifetime spectrum for both the unirradiated (164?±?1?ps) and irradiated crystal (175?±?1?ps). It reflects the fact that the positron lifetime and intensity of the new irradiation driven defect species are a little higher compared to those in the unirradiated crystal. However, the estimated defect concentration, even considering the high dynamic defect annihilation rate in ZnO, comes out to be ～4?×?10(17)?cm(-3) (using SRIM software). This is a very high defect concentration compared to the defect sensitivity of positron annihilation spectroscopy. A probable reason is the partial filling of the incorporated vacancies (positron traps), which in ZnO are zinc vacancies. The positron lifetime of ～175?ps (in irradiated ZnO) is consistent with recent theoretical calculations for partially hydrogen-filled zinc vacancies in ZnO. Passivation of oxygen vacancies by hydrogen is also reflected in the photoluminescence results. A possible reason for such vacancy filling (at both Zn and O sites) due to irradiation has also been discussed.     

Characterization of nuclear tracks by positron annihilation and gas permeation

The application of polymeric membrane in combination with metallic films can be used for gas purification in particular for hydrogen where the molecular size is very small. The affinity of hydrogen to certain metals assists the flow of hydrogen, although it restricts the permeation of other gases. However, the flow rate is very small in dense membranes. Attempts have been made to generate nuclear tracks in polymeric membranes to control the gas flow. These tracks can be characterized by positron lifetime spectroscopy and gas permeation measurements. The long lifetime of ortho-positronium gives the estimate of size of the track-free volume of the order of 0.25 nm. The nuclear tracks can be modified by a chemical etching process. The chemical etching normally takes place from both sides of the membrane. When the etched pits from both sides meet, a rapid increase in gas permeation is observed. The size of the nano opening of the track has been observed for two different gases hydrogen and carbon dioxide, which have a molecular size of 0.2 and 0.4 nm, respectively.     

元素周期表中元素单晶基于局域密度理论的正电子寿命计算

在局域密度近似理论（LDA）的基础上用中性原子叠加模型和有限插分方法（SNA-FD）计算了元素周期表中各种元素单晶的正电子体寿命和单空位寿命.分析了不同结构的单晶中自由正电子的分布信息和湮没信息.元素单晶的正电子寿命计算值与文献中的实验测量值相符合,表明LDA基础上的SNA-FD方法可以作为单晶中正电子湮没理论计算的有效研究手段. 关键词： 局域密度近似理论 正电子寿命     

碳纳米管束中的正电子理论

采用中性原子叠加模型和有限差分方法(SNA-FD)计算了大范围内不同管径的单壁碳纳米管束中的正电子情况，发现对于单壁碳纳米管束，正电子的主要湮没区域，湮没对象和正电子寿命随碳纳米管管径的不同而发生规律性变化.计算得到管径范围在0.8—1.6nm的碳纳米管束的正电子寿命范围为332—470ps，与实验测得的394ps符合较好.     

液晶相变的微结构研究

用正电子湮没和差示扫描量热(DSC)变温测量液晶(EBBA)样品的正电子湮没寿命谱及DSC曲线,结果表明正电子湮没的短寿命(τ_s)基本不变,而长寿命(τ₁)和强度(I₁)明显地有两次跳变,其跳变的温度范围与DSC所测定的相转变温度范围基本一致,在加热和冷却过程中样品在晶体相←→向列相之间的相互转变的相转变温度范围显著不同。用正电子湮没的ORE模型讨论了由于液晶相转变所引起的微结构变化,从而提出正电子是研究液晶(EBBA)相变的探针。 关键词：     

Positron annihilation in the hydrogenated granular superconductor of YBa2Cu3O7−δ

In this paper, we have used the sputtering neutral-particles mass spectroscopy (SNMS) and positron-annihilation technique to investigate the effect of hydrogenation on the physical properties of different oxygenated YBa₂Cu₃O_7−δ superconductors. Under the same of hydrogenation treatment, the hydrogenation effects on the superconductors are compared to the non-superconductors. It was shown that the hydrogen concentration in the superconductors is about eight times of the non-superconductor's. It was proven that the long lifetime of positrons in the annihilation process is determined by the variation of the concentrations of monovacancies and microvoids, which takes place in both of intragrain and intergrain samples. The hydrogenation effect can be classified into four stages. At the first stage, the hydrogen atoms fill both monovacancy and microvoid. At the end of the first stage, the long lifetime τ₂ reaches the maximum value which is determined by the lifetime of the positron in the monovacancy-free and nearly microvoid-exhausted YBCO sample. In the second stage, the hydrogen charging will lead to creation of new monovacancies; this will make the long lifetime τ₂ drop monotonically to its minimum value. In the third stage, further hydrogen charging promotes the formation of microvoids, and leads to an increasing τ₂ up to a saturation value, which indicates the equilibrium concentrations of monovacancy and microvoid at that temperature.     

利用正电子湮没技术研究钾掺杂钨合金中的缺陷

钨合金中钾的掺杂会引入大量的缺陷,如尺寸几十纳米的钾泡、高密度的位错以及微米量级的晶粒带来的晶界等,这些缺陷的浓度和分布直接影响合金的服役性能.本文运用正电子湮没谱学方法研究钾掺杂钨合金中的缺陷信息,首先模拟计算了合金中各种缺陷的正电子湮没寿命,发现钾的嵌入对空位团、位错、晶界等缺陷的寿命影响很小;然后测量了不同钾含量掺杂钨合金样品的正电子湮没寿命谱,建立三态捕获模型,发现样品中有高的位错密度和低的空位团簇浓度,验证了钾对位错的钉扎作用,阐述了在钾泡形成初期是钾元素与空位团簇结合并逐渐长大的过程;最后使用慢正电子多普勒展宽谱技术表征了样品中缺陷随深度的均匀分布和大量存在,通过扩散长度的比较肯定了钾泡、晶界等缺陷的存在.     

化合物半导体材料的正电子寿命计算

在局域密度理论（LDA）和广义梯度理论（GGA）的基础上计算了ZnO,GaN,GaAs,SiC和InP五种化合物半导体材料中的正电子湮没信息,包括化合物半导体材料中的自由态正电子的湮没寿命;还有不同类型空位（单空位,双空位）附近俘获的束缚态正电子密度分布和湮没率分布,以及束缚态正电子的湮没寿命. 关键词： 半导体 正电子寿命     

碳同素异形体中的正电子理论

在密度函数理论的基础上,采用中性原子叠加模型和有限差分方法(SNA-FD)计算了石墨,金刚石和C60这三种碳的同素异形体中的正电子分布和湮没情况. 计算表明,在片层结构的石墨晶体中,正电子主要在石墨层间的空隙中湮没,计算出的石墨中的正电子寿命为208ps,与文献中的实验结果210ps符合很好. 在金刚石单晶中,正电子主要在碳原子之间的空隙中存在并发生湮没,计算出的金刚石中的正电子寿命为1159ps,与文献中的实验结果110ps相符合;在面心立方结构的C60晶体中,正电子主要在C60分子球壳内外侧及分子之 关键词： 石墨 金刚石 C60 正电子寿命     

Investigation of nanocrystalline CoFe 2 O 4 by positron annihilation lifetime spectroscopy

Nanoparticles of cobalt ferrite prepared by the co-precipitation method with crystallite size varying from 4.7 to 41 nm have been characterized by positron annihilation lifetime spectroscopy. Three lifetime components are fitted to the lifetime data. The shortest lifetime component is attributed to the delocalized positron lifetime shortened by defect trapping. The intermediate lifetime is assigned to the positron annihilation in diffuse vacancy clusters or microvoids at the grain boundaries and at the grain-boundary triple points. The longest component corresponds to the pick-off annihilation of ortho-positronium formed at the larger voids. The variations in these lifetimes and their relative intensities with annealing temperature and crystallite size have been studied in detail.     

完美晶体中正电子体寿命计算的几种方法的分析与比较

以正电子寿命为探测对象的正电子湮没寿命谱技术在研究半导体等材料的微缺陷方面得到了广泛的应用,它对晶体的结构类型、缺陷种类以及温度等十分敏感,因此,理论上正电子寿命的快速精确计算与实验数据的结合分析显得尤为重要. 采用中性原子叠加模型、赝势方法和全势方法处理正电子局域势能,有限差分方法自洽求解正电子波函数,局域密度近似和广义梯度近似处理正电子电子关联势和增强因子,以体心立方结构的α-Fe、面心立方结构的Al和复式面心立方结构的Si三种单晶固体为例,分别计算了它们的正电子体寿命,计算值与相应的实验结果和其他计算结果均符合较好. 同时细致分析了这几种方法在电子密度网格点精度、正电子电子关联势和增强因子等方面对正电子体寿命计算的影响,探讨了这几种方法在计算正电子体寿命方面各自的优缺点. 关键词： 正电子体寿命 完美晶体 正电子电子关联势 增强因子     

正电子湮没参量及其所反映物质信息的探讨

本根据正电子在凝聚态物质中的湮没机制及捕获模型,讨论了正电子湮没参量——正电子寿命谱和多普勒线形等参量所反映的物质信息,给出了各正电子湮没参量与所反映的物质信息之间的定量关系。分析了在该体系中正电子寿命参量与局域电子密度、多普勒线形参量和角关联参量与电子动量密度分布和费米面之关联。     

Positron annihilation in boron-implanted n-type silicon

The ion damaged effect and subsequent isothermal annealing in boron-implanted Si was studied by positron annihilation lifetime measurements. The mean positron lifetime in preimplanted n-type Si is 243 psec. The variation of mean lifetime is detectable when the implanted boron dose is greater than 1.0x10¹⁵/cm². The saturated mean positron lifetime (247 psec) occurs when the implantation dose reaches 2.5x10¹⁵/cm². The mean electron density of the positron sensitive defects is estimated to be about 85% less than that in the perfect parts of the crystal. Isothermal annealing was held in every 5-minute step at 1000°C. In the first step, the positron lifetime in the implanted sample increases slightly and then decreases completely to its initial state in the 3rd step. Sheet resistance of the sample monitored by 4-point probe method has been found closely related to the positron lifetime.     

Thermal expansion effects in positron lifetimes

The precision of relative positron lifetime measurements is now sufficient to observe directly changes due to lattice thermal expansion. This information is necessary for the determination of accurate vacancy formation energies from positron annihilation data obtained over a higher temperature range. Measurements have been made of the change in positron lifetime in the metals Au, Ag, Cu, and Al over the temperature range 100–300 K where there is no contribution from positron trapping at vacancies. The results are compared with theoretical calculations which take account of positron annihilations with both valence and core electrons.     

铝纳米晶的正电子湮没研究

采用自悬浮定向流-真空热压法,在不同压强下制得铝纳米晶材料,并利用X射线衍射(XRD)和正电子湮没寿命谱(PALS)分析手段对铝纳米晶的结构和微观缺陷进行表征.XRD分析表明:所制备的铝纳米晶的晶粒度为48 nm.PALS分析表明:铝纳米晶的微观缺陷主要为类空位以及空位团,而微孔洞很少;短寿命τ1,中间寿命τ2以及其对应的强度I1,I2随压强变化而呈现阶段性变化;压制压强(P)低于0.39 GPa时制得的纳米晶空位团随压强的增加而逐渐转变为类空位;0.39 GPa P 0.72 GPa时,各类缺陷发生消除;P 0.72 GPa时,各类缺陷进一步发生消除.随压强的提高,铝纳米晶的密度增加,其显微硬度也明显增高.     

A study of defects in deformed FeSi alloys using positron annihilation techniques

Steels with high amounts of silicon are used in electrical applications due to their low magnetostriction, high electrical resistivity and reduced energy losses, but they exhibit poor formability. The slow positron beam of Gent is used to investigate defects in different deformed FeSi alloys. It was found that the concentration of defects for the alloys deformed at high temperatures are different from the ones related to the alloys deformed at room temperature. These results are correlated to the results of positron annihilation lifetime spectroscopy (PALS).