合金元素Zr韧化不同计量比Ni3Al合金的微观机制

利用正电子湮没技术(PAT)测量了不同化学计量比二元Ni3Al合金及不同Zr含量Ni3Al合金的正电子寿命谱,并估算了合金基体和晶界缺陷处的自由电子密度.结果表明,二元Ni77Al23合金的基体和缺陷态的自由电子密度都比二元Ni74Al26合金的高.Ni3Al合金晶界缺陷处开空间大于Ni空位或Al空位的开空间,晶界缺陷处的自由电子密度很低,金属键合力很弱.过化学计量比Ni74Al26合金的晶界缺陷开空间比亚化学计量比Ni77Al23合金的大,晶界结合力更弱.这是Ni74Al26合金更脆的原因.在Ni3Al合金中加入Zr,增加了合金中的金属键成分,使基体中的自由电子密度增加,增强了基体金属键合力,同时降低了合金的有序度,使合金晶界容易弛豫,晶界缺陷的开空间变小.另外,Zr原子偏聚到晶界,增加了晶界处的自由电子密度,同时引起晶界处Al贫化,减少了强共价性Ni-Al和Al-Al键,使晶界更易于变形,有利于提高合金的塑性.     

合金元素韧化或脆化FeAl金属间化合物的微观机制

通过测量二元FeAl以及含B，Zr或Si的FeAl合金的正电子寿命谱参数，计算合金基体和缺陷处的价电子密度.结果表明，当Al原子和Fe原子结合形成FeAl合金时，Al原子提供价电子与Fe原子的3d电子形成局域的共价键.FeAl合金基体的价电子密度很低，FeAl合金中金属键和共价键共存.FeAl合金晶界缺陷的开空间大于Fe空位或Al空位的开空间，FeAl合金晶界处的金属键合力很弱.在FeAl合金中加入少量的B，一部分B原子以间隙方式固溶到FeAl基体中，增加基体的价电子密度；另一部分B原子偏聚到FeAl合金的晶界上，也增加了晶界处的价电子密度.在FeAl合金中加入Zr，增加了合金中的金属键成分，使基体中的价电子密度增加，增强了基体中金属键合力.Zr原子的加入还降低了FeAl合金的有序度，使合金晶界容易弛豫，晶界缺陷的开空间变小.Zr原子在晶界附近出现，还增加了晶界处的价电子密度.在FeAl中加入B或Zr有利于提高合金的韧性.在FeAl合金中加入Si，晶界处的Si原子与邻近的原子形成强的共价键，使得在晶界处参与形成金属键的价电子密度降低.在FeAl中加入Si使合金更脆. 关键词：     

充氚不锈钢中氦行为的实验研究

对充氚和未充氚的抗氢-2不锈钢(HR-2)样品进行退火处理,利用正电子湮没寿命谱技术以及金相检验技术探讨不锈钢中氦和微缺陷的相互作用行为.未充氚样品中,影响正电子寿命值的主要因素为杂质元素在晶界的析出.充氚样品实验中,退火温度小于300℃时,正电子寿命值的增加说明了氦泡的形成过程为非热形成,通过“冲出位错环”机制形成及长大;退火温度在300~600℃之间,充氚样品正电子寿命值的降低以及He的跃迁概率的计算结果,说明He原子通过热迁移至晶界;退火温度大于600℃时,热平衡空位浓度的计算结果以及正电子寿命值的增加说明热平衡空位开始发挥作用.     

合金元素Zr韧化不同计量比Ni3Al合金的微观机制

利用正电子湮没技术（PAT）测量了不同化学计量比二元Ni3₃Al合金及不同Zr含 量Ni3₃Al合金的正电子寿命谱，并估算了合金基体和晶界缺陷处的自由电子密度.结果表明，二元Ni77₇₇Al23₂₃合金的基体和缺陷态的自由电子密度都比二元 Ni74₇₄Al26₂₆合金的高. Ni3₃Al合金晶界缺陷处开空间大于Ni空位或Al空位的开空间，晶界缺 陷处的自 关键词： 3Al合金')" href="#">Ni3₃Al合金 微观机制 自由电子密度 韧化     

非晶态（FeAl3）75Zr25和（FeAl3）50Zr50合金的热稳定性和磁性研究

用机械合金化方法制备了(FeAl3)75Zr25和(FeAl3)50Zr50非晶态合金,用X射线衍射仪和热分析仪对制备的非晶态合金的结构特性及热稳定性进行了研究,用振动样品磁强计对(FeAl3)75Zr25和(FeAl3)50Zr50混合粉末在机械球磨过程中的磁性变化进行了研究,并对其晶化产物及其晶化后合金的磁性进行了分析。结果表明:(FeAl3)75Zr25的晶化产物为Fe3Zr和Al1.65Fe0.33Zr;(FeAl3)50Zr50非晶态合金的晶化产物为FeZr2和AlZr2。(FeAl3)75Zr25混合粉末的矫顽力随着球磨时间的增加而增加,但其饱和磁化强度和剩磁均随着球磨时间的增加而下降。而(FeAl3)50Zr50混合粉末的矫顽力、饱和磁化强度和剩磁均随球磨时间的变化则没有类似的规律性。晶化后(FeAl3)75Zr25粉末与(FeAl3)50Zr50粉末相比,前者矫顽力小,但饱和磁化强度和剩磁大。     

掺杂B,Cr,Mo,Ti,W,Zr后金刚石中正电子湮灭寿命计算

金属基金刚石复合材料被广泛应用和研究,但金刚石表面预处理所导致的空位、掺杂等缺陷对金属基与金刚石界面性能有很大影响.尽管透射电子显微镜和能谱分析等技术已用于缺陷检测,但这些方法存在局限性.通过计算金刚石中正电子湮灭寿命,可以准确评估金刚石的界面缺陷.本文利用第一性原理计算方法,采用多种正电子湮灭算法和增强因子,计算了金刚石理想晶体、单空位、掺杂B,Cr,Mo,Ti,W和Zr后的正电子湮灭寿命.结果显示,在采用局域密度泛函时,结合Boronski&Nieminen算法以及随机相位近似限制作为湮灭增强因子时,计算得到的正电子湮灭寿命与文献的实验结果更吻合.同时,金刚石中B和Cr的掺杂使正电子湮灭寿命从由单空位119.87 ps增加为148.57 ps和156.82 ps.总体来说,金刚石中的空位和掺杂原子缺陷都会引起正电子湮灭寿命的变化.这些发现为理解和优化金刚石界面提供了有价值的理论依据.     

纳米Cu固体材料的X射线衍射与正电子湮没研究

 采用自悬浮-冷压法，在不同压力下制得纳米Cu固体材料并对其在不同温度和保温时间下进行退火，利用X射线衍射(XRD)和正电子湮没寿命谱(PAS)分析对材料的结构和微观缺陷进行了表征。XRD分析表明，压制而得的样品晶粒度为20 nm，低于300 ℃退火3 h后并未发现晶粒显著长大；PAS分析表明，压制后的样品缺陷主要为单空位和空位团，大空隙很少，随着退火温度的升高和退火时间的延长，单空位通过扩散结合成空位团，大空隙也在温度较高时分解为空位团，导致空位团的含量增加，而单空位和大空隙的含量降低。     

LaNi5氚老化效应的实验研究

测定了老化LaNi5料的解吸等温线及去氘化热力学参数.评价了氚老化对LaNi5贮氢性能的影响.结果表明,氚老化使LaNi5解吸等温线形貌发生重大改变.与新鲜材料相比,老化2140天后,在373 K下,坪台压力降低了约50%,坪斜由0.033到0.130,可逆吸氢容量减少了约1.3 mmol.g-1.老化LaNi5料去氘化反应热力学焓变ΔH和熵变ΔS分别由30.1 kJ.mol-1和105 J.mol-1.K-1增加到44.5 kJ.mol-1和128 J.mol-1.K-1.     

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.     

退火处理Fe43Co43Hf7B6Cu1非晶合金的正电子湮没研究

对熔体急冷法制备的Fe₄₃Co₄₃Hf₇B₆Cu₁非晶合金进行了200,300,400和500 ℃保温30 min的退火处理,用正电子湮没寿命谱、X射线衍射、穆斯堡尔谱等方法研究了退火后试样的结构及结构缺陷变化.结果表明,在非晶合金的制备态,正电子主要在非晶基体相空位尺寸的自由体积中湮没,湮没寿命τ₁为158.4 ps,强度I₁关键词： 43Co₄₃Hf₇B₆Cu₁非晶')" href="#">Fe₄₃Co₄₃Hf₇B₆Cu₁非晶 退火处理 正电子湮没寿命 结构与结构缺陷     

Atomic structure of the Zr–He,Zr–vac,and Zr–vac–He systems: First-principles calculation

The ab initio investigations have been performed for the atomic structure of the Zr–He, Zr–vac, and Zr–vac–He systems with concentrations of helium atoms and vacancies (vac) of ~6 at %. A heliuminduced instability of the zirconia lattice has been revealed in the Zr–He system, which disappears with the formation of vacancies. The most preferred positions of impurities in the metal lattice have been determined. The energy of helium dissolution and the excess volume introduced by helium have been calculated. It has been established that the presence of helium in the Zr lattice leads to a significant decrease in the energy of vacancy formation.     

Positron annihilation in vacancies at grain boundaries in metals

The behavior of vacancies in selected coherent grain boundaries (GBs) in Fe and Ni is studied by means of molecular dynamics simulations. Corresponding positron lifetimes are calculated using the atomic superposition method. There is a difference between the vacancy behavior in Fe and Ni in dependence on temperature. In Ni, vacancies at GBs appear to diminish substantially their free volume (and lifetime) with the increasing temperature, which can be attributed to ‘vacancy delocalization’. Contrary, GB vacancies remain stable up to apparently higher temperatures in Fe.     

形变充氢多晶纯钴中缺陷的正电子湮没研究

用正电子寿命和多普勒线形参数测量技术,研究了形变和形变充氢多晶钴试样的缺陷性质及其回复行为。观察到形变样品阴极充氢后,氢致缺陷为一定量的位错和空位以及少量的空位团。没有观察到微空洞和微裂纹的产生。单空位的回复温度范围为73—260℃,位错和空位团的退火发生在350—670℃温度范围。测得空位的迁移激活能为E_v^m=1.09±0.07eV。 关键词：     

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.     

Pseudo-potential caculations of positron annihilation rates in bubbles of helium contained in the metals Mg,Ag and Au

Abstract

A pseudo-potential technique has been applied to calculate the annihilation rates for positrons in bubbles of helium gas in gold and silver. The positron pseudo-wavefunction in each case was found to be in a surface state of the metal, the exact form of which displayed a slight dependance on the density of the helium gas. The annihilation rate of the positron was the sum of a nearly constant surface rate and a strongly density dependant annihilation rate with the helium electrons. There is a trend for annihilation with the helium to be greater in metals with low free electron densities, the helium in such metals resting closer to the metal surface thus increasing the overlap of the positron wavefunction with the helium.     

Evolution of native point defects in ZnO bulk probed bypositron annihilation spectroscopy

This paper studies the evolution of native point defects with temperature in ZnO single crystals by positron lifetime and coincidence Doppler broadening (CDB) spectroscopy, combined with the calculated results of positron lifetime and electron momentum distribution. The calculated and experimental results of the positron lifetime in ZnO bulk ensure the presence of zinc monovacancy, and zinc monovacancy concentration begins to decrease above 600℃ annealing treatment. CDB is an effective method to distinguish the elemental species, here we combine this technique with calculated electron momentum distribution to determine the oxygen vacancies, which do not trap positrons due to their positive charge. The CDB spectra show that oxygen vacancies do not appear until 600℃ annealing treatment, and increase with the increase of annealing temperature. This study supports the idea that green luminescence has a close relation with oxygen vacancies.     

Unusual temperature dependence of the positron lifetime in a polymer of intrinsic microporosity

The performance of polymeric membranes for gas separation is mainly determined by the free volume. Polymers of intrinsic microporosity are interesting due to the high abundance of accessible free volume. We performed measurements of the temperature dependence of the positron lifetime, generally accepted for investigation of free volume, in two polymers of intrinsic microporosity (PIM‐1 and PIM‐7) in the range from 143 to 523 K. The mean value of the free volume calculated from the ortho‐positronium lifetime is in the range of typical values for high free volume polymers. However, the temperature dependence of the local free volume is non‐monotonous in contrast to the macroscopic thermal expansion. The explanation is linked to the spirocenters in the polymer. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Helium implanted CuHf as studied by TDPAC and positron lifetime measurements

¹⁸¹Ta time differential perturbed angular correlation (TDPAC) and positron lifetime measurements were carried out on homogeneously α-implanted CuHf samples. TDPAC measurements indicate the trapping of vacancy clusters and helium associated defect complexes by Hf atoms. The presence of helium-vacancy complexes and helium stabilised voids has been identified by positron lifetime measurements. Further the nucleation and growth stages of helium bubbles have been identified. TDPAC and positron lifetime measurements indicate that Hf atoms act as heterogeneous nucleating centers for helium bubbles. Hf atoms are found to suppress the bubble growth in CuHf as indicated by the results of positron lifetime measurements.