SIMP钢中H对He热解吸行为的影响研究（英文）

为了初步理解核用结构材料中H对He行为的影响,以He离子单独辐照和He和H离子连续辐照作为对比,利用热释放谱(TDS)、透射电子显微镜(TEM)和扫描电子显微镜(SEM)研究了SIMP中H对He的热解吸和滞留行为的影响。TDS结果表明:He释放的主峰主要出现在1 198～1 222 K之间,对应于气泡的迁移释放机制。相对于He单独辐照,H的附加辐照使得He的释放峰向低温移动,且释放量增大。即H促进了He的热解吸。另外,H对He热解吸的促进作用与H的辐照剂量有关。当H注入的峰值浓度(原子分数)从5%增加到50%时,这种促进作用有所减弱。结合TEM和SEM结果发现:H的存在促进了TDS加热过程中材料表面的起泡行为,从而加速了He以气泡迁移机制释放的过程。     

Li_4SiO_4陶瓷小球水解吸行为实验研究

采用程序升温热解吸(TPD/TDS)方法对Li4SiO4陶瓷小球的水解吸行为进行了实验研究。结果表明:水解吸过程中主要存在四个解吸峰;其中100℃附近的峰可解释为物理吸附水;150,250,400℃附近的峰可分别解释为以氢键、Li-OH和Si-OH配位键形式存在的化学吸附水。氚的释放与水的解吸几乎同步进行,且氚的释放形式主要为氚水(HTO),据此推测,氚水可能存在三种释放机制:(1)-OT+H2O→-OH+HTO;(2)-OH+-OH→H2O,-OT+H2O→-OH+HTO;(3)-OT+-OH→HTO。     

LiAlO_2陶瓷小球的堆外放氚行为

将LiAlO2陶瓷小球置于裂变反应堆中辐照,采用热解吸技术研究该类产氚材料的堆外放氚特性,考察了升温速率、载气组分、催化活性元素和提氚温度对氚释放行为的影响;采用电子自旋磁共振(ESR)实验技术研究了辐照缺陷的顺磁特征。结果表明:LiAlO2中氚的扩散速度慢,热解吸活化能高,氚释放主要分布在750~1000K;表面氢同位素交换反应贡献大,释氚形态受载气条件的影响较大,当氦气中添加H2时,会增大HTO转化成HT的比例;中子辐照会在LiAlO2中诱生F+,O-和O2-等缺陷色心,其退火湮灭行为与氚释放过程存在一定关系。     

高He通量注入条件下F/M和ODS钢中纳米微结构对He泡形核和长大的影响

利用LEAF装置提供的2 MeV的He离子,在500和600 °C分别对新型F/M钢-SIMP钢和ODS钢(MA956和Eurofer-ODS钢)注入1×1017 ions/cm2的高通量He离子,借助透射电子显微镜,表征了辐照后三种材料的肿胀行为,验证了各材料中纳米微结构(晶界,析出相和纳米氧化物)对辐照后He泡成核和长大的影响。结果表明,基于材料中晶界和析出相对He泡生长的抑制作用,温度为500 °C时,SIMP和Eurofer-ODS钢表现出较高的抗辐照肿胀性能,而MA956中纳米界面He泡成核和长大作用不明显,表现出较差的抗辐照肿胀性能;此外,温度为600 °C时,Eurofer-ODS钢由于其晶界和氧化物界面的较强作用,表现出较好的抗辐照肿胀性能。总体来说,在高He通量注入条件下,材料中纳米结构的存在会抑制He泡长大的过程,但不同材料中纳米结构对He影响作用不同。     

氦在铝表面辐照和积聚的团簇动力学模拟

我们利用团簇动力学模型(IRadMat)研究了keV-He离子辐照金属铝的缺陷动力学和氦的聚集行为.通过对不同俘获类型(团簇、晶界和位错)俘获He浓度的定量分析，我们发现大多数He原子被晶界吸收，这成为铝在低辐照通量下发生脆化的主要原因.随着辐照能量的增加，He滞留峰的位置会变得更深.然而，随着辐照通量的增加，He在体内的滞留量会变得更多，但滞留深度的峰值位置不变.我们的结果表明，晶界的影响在He的滞留分布以及铝的脆化行为中起着关键作用，这也有助于我们理解He在金属中的动力学行为和损伤的分布.     

He在HR-1型不锈钢中的捕获与释放研究

对HR-1型奥氏体不锈钢在室温下注入了70keV 5×10¹⁶—10¹⁸cm²的⁴He离子,进行了上升至1273K的恒时退火实验。使用2.5MeV的质子弹性散射、TEM和SEM分析法研究了He在其中的捕获、迁移与释放特性。 关键词：     

He,Au离子辐照AuCu_3致元素表面偏析

采用磁控溅射方法在单晶硅(111)衬底上制备了AuCu_3薄膜,用2 MeV He离子和1 MeV Au离子对薄膜进行辐照,用卢瑟福背散射对He,Au离子辐照前后AuCu_3薄膜近表面的成分变化进行了分析,对不同离子辐照导致的表面元素偏析行为进行了研究.结果表明:当2 MeV He离子辐照时,随着辐照剂量增大,观察到样品近表面Au元素偏析的趋势;当1 MeV Au离子辐照时,随着辐照剂量增大,观察到样品近表面Cu元素偏析的趋势,与He离子辐照相反.通过对He,Au离子在样品中产生的靶原子空位及其分布分析,发现靶原子空位浓度分布的梯度是导致两种不同表面元素偏析趋势的原因,空位扩散是其中的主要机理.     

氦在铝表面辐照和积聚的团簇动力学模拟

我们利用团簇动力学模型(IRadMat)研究了keV-He离子辐照金属铝的缺陷动力学和氦的聚集行为.通过对不同俘获类型(团簇、晶界和位错)俘获He浓度的定量分析,我们发现大多数He原子被晶界吸收,这成为铝在低辐照通量下发生脆化的主要原因.随着辐照能量的增加,He滞留峰的位置会变得更深.然而,随着辐照通量的增加,He在体内的滞留量会变得更多,但滞留深度的峰值位置不变.我们的结果表明,晶界的影响在He的滞留分布以及铝的脆化行为中起着关键作用,这也有助于我们理解He在金属中的动力学行为和损伤的分布.     

调幅W(Mo)/Cu纳米多层膜He+离子辐照响应行为

用磁控溅射技术制备不同调幅波长 (L) 的W(Mo)/Cu纳米多层膜,所制膜系在60 keV氦离子 (He⁺) 辐照条件下注入不同剂量: 0, 1×10¹⁷ He⁺/cm², 5×10¹⁷ He⁺/cm². 用X射线衍射仪 (XRD) 和高分辨透射电子显微镜(TEM)表征W(Mo)/Cu纳米多层膜辐照前后微观结构. 研究结果表明: 1) He⁺离子轰击引起温升效应是导致沉积态亚稳相β-W 转变成稳态 α-W相的主因, 而与调幅波长无明确关联; 2) 纳米多层结构中W(Mo) 和Cu膜显现出的辐照耐受性与调幅波长相关, 调幅波长越小, 抗He⁺的辐照性能越强; 3) 在5×10¹⁷ He⁺/cm²注入条件下, 观察到He团簇/泡在纳米结构W(Mo) 和Cu膜中的积聚行为存在明显差异: 在W (Mo) 膜中He团簇/泡的分布与晶粒取向相关, He团簇/泡倾向于沿W (211) 晶面分布; 而Cu膜非晶化且He团簇/泡在其体内呈均匀分布. 关键词： W(Mo)/Cu纳米多层膜 +辐照')" href="#">He⁺辐照 He团簇/泡 相转变     

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。     

Glycine on Pt(111): a TDS and XPS study

The adsorption and desorption of in situ deposited glycine on Pt(111) were investigated with thermal desorption spectroscopy (TDS) and X-ray photoelectron spectroscopy (XPS). Glycine adsorbs intact on Pt(111) at all coverages at temperatures below 250 K. The collected results suggest that the glycine molecules adsorb predominantly in the zwitterionic state both in the first monolayer and in multilayers. Upon heating, intact molecules start to desorb from multilayers around 325 K. The second (and possibly third) layer(s) are somewhat more strongly bound than the subsequent layers. The multilayer desorption follows zero order kinetics with an activation energy of 0.87 eV molecule⁻¹. From the first saturated monolayer approximately half of the molecules desorbs intact with a desorption peak at 360 K, while the other half dissociates before desorption. Below 0.25 monolayer all molecules dissociate upon heating. The dissociation reactions lead to H₂, CO₂, and H₂O desorption around 375 K and CO desorption around 450 K. This is well below the reported gas phase decomposition temperature of glycine, but well above the thermal desorption temperatures of the individual H₂, CO₂, and H₂O species on Pt(111), i.e. the dissociation is catalyzed by the surface and H₂, CO₂, and H₂O immediately desorb upon dissociation. For temperatures above 500 K the remaining residues of the dissociated molecules undergo a series of reactions leading to desorption of, for example, H₂CN, N₂ and C₂N₂, leaving only carbon left on the surface at 900 K. Comparison with previously reported studies of this system show substantial agreement but also distinct differences.     

Effects of preadsorbed oxygen on the formation and decomposition of NCO on Rh(111) surfaces

The interaction of HNCO with oxygen dosed Rh(111) surface has been investigated by Auger electron, electron energy loss and thermal desorption spectroscopy. The presence of adsorbed oxygen exerted no apparent influence on the weakly adsorbed HNCO (T_p = 130 K). It promoted, however, the dissociative adsorption of HNCO by forming a strong O—H bond which prevented the associative desorption of HNCO. As a result no H₂ and NH₃ formation occurred, in contrast with the clean surface, and the surface concentration of irreversibly bonded NCO was also increased. New products of the surface reaction were H₂O and CO₂, in addition to CO and N₂ observed on a clean surface. From the behavior of the losses characteristic for the adsorbed NCO it appeared that the preadsorbed oxygen exerted a significant stabilizing effect on the NCO bonded to the Rh.     

Hydrogen adsorption and desorption on the Pt and Pd subnano clusters – a review

In this review, we present our recent first principles studies on the sequential H₂ dissociative chemisorption and H desorption on the Pt_n and Pd_n clusters (n=2-9, 13). Upon full saturation by H atoms, the calculated H₂ dissociative chemisorption energy and H desorption energy on Pt₁₃ and Pd₁₃ clusters are similar to the corresponding values on smaller close-packed clusters. Indeed, the catalytic performances of these subnano clusters do not vary significantly with the particle sizes or shapes. Instead, they are dependent on the surface metal atoms which can be accessed by H atoms. In addition to the coverage dependency of the H₂dissociative chemisorption and H sequential desorption energies, the phase transition of both Pt₁₃ and Pd₁₃from the icosahedral to fcc-like structures at certain H coverage was also investigated.     

Structural effects on water formation from coadsorbed H + O on Rh(100)

The effect of adsorbate coverage, adsorption sequence and temperature on the structure, composition and reactivity of coadsorbed layers, produced by dissociative adsorption of O₂ and H₂ at 200 K on a Rh(100) surface, has been studied by combined TPD, XPS and LEED measurements. The emphasis is on the impact of the structure and composition of the mixed O + H layers on the synthesis of hydroxyl and water as a result of the O + H surface reaction. The difference in the O 1s binding energies of adsorbed O (529.9 eV) and OH species (530.8 eV) was used as a fingerprint to monitor the formation of the OH species. The H₂O TPD spectra show substantial variations of the desorption temperature range and the amount of water evolved with coadsorbate coverage and structure: from 270 to 350 K and from 0 to 0.08 ML, respectively. It has been found that dense O + H adlayers, where the O coverage is in the range 0.25-0.4 ML, favor the formation of stable OH species. The maximum amount of stable hydroxyl OH species ( 0.16 ML) can be produced by heating of these dense adlayers to 260 K. This results in reordering of the adspecies to form a new O + OH − (2 × 6) structure, where hydroxyls react readily to evolve 0.08 ML of water in a sharp desorption peak at 280 K. The effect of the adlayer density and restructuring on the production of OH and H₂O is discussed.     

Adsorption of hydrogen and deuterium on potassium-promoted Pd(100) surfaces

The adsorption of H₂ and D₂ has been studied on clean and K-promoted Pd(100) surfaces using thermal desorption, work function changes, ultraviolet photoelectron and Auger spectroscopy. The potassium adlayer significantly lowers the sticking coefficient (from 0.6 to 0.06 at θ_k = 0.2), and the uptake of hydrogen, but increases the desorption energy for H₂ desorption. Calculation showed that each potassium adatom blocks approximately 4–5 adsorption sites for H₂ adsorption. Atomization of hydrogen led to an increase of hydrogen uptake. The adsorption of potassium on the H-covered surface caused a significant decrease in the amount of hydrogen adsorbed on the surface (as indicated by less desorbing hydrogen below 500 K) and promoted the dissolution of H atoms into the bulk of Pd. The dissolved hydrogen was released only above 600–650 K. In the interpetation of the results the extended charge transfer from K-dosed Pd to the adsorbed H atoms and the direct interaction between adsorbed H and K adatoms are taken into account.     

Isothermal desorption of hydrogen from polycrystalline diamond films

The kinetics of isothermal H₂ desorption from polycrystalline diamond are studied in real time. The surface H coverage (θ_H) is measured by mass analyzing the recoiled H₊ ion signal during the desorption. We find that the H₂ desorption is 1st order in θ_H with an activation energy of 69 ± 6 kcal/mol and a prefactor of 10^{10.5 ± 0.9} s⁻¹. We suggest that formation of a C---C π-bond on the clean surface plays a key role in H₂ desorption from diamond, a view consistent with previous theoretical calculations of H₂ desorption from diamond.     

Translational energy release in the recombinative desorption of H2 from Ag(111)

We have investigated the recombinative desorption of H₂ from Ag(111) using (2 + 1) REMPI to detect the desorbing molecules. We describe a method for determining the energy released into translational motion normal to the surface over a wide range of surface temperatures. This was achieved by using a weak electric field to disperse the ions, in contrast to the usual field-free method. Calibration and analysis methods are discussed and energy distributions P(E) are reported for H₂ (v=0). Desorption from a 295 K surface shows only a single low-energy peak ( ), whereas the translational energy release is bimodal for desorption from a 580 K surface, with mean desorption energies of approximately 140 meV and 1 eV for the two pathways. Sticking functions are calculated using detailed balance, revealing a large dependence on surface temperature.     

Study of ion desorption induced by a resonant core-level excitation of condensed H2O using Auger electron photo-ion coincidence (AEPICO) spectroscopy combined with synchrotron radiation

Ion desorption induced by a resonant excitation of O 1s of condensed amorphous H₂O has been studied by total ion and total electron yield spectroscopy, nonderivative Auger electron spectroscopy (AES) and Auger electron photo-ion coincidence (AEPICO) spectroscopy. The spectrum of total ion yield divided by total electron yield exhibits a characteristic threshold peak at hν = 533.4 eV, which is assigned to the 4a₁ ← O 1s resonant transition. The AES at the 4a₁ ← O 1s resonance is interpreted as being composed of the spectator-AES of the surface H₂O, and the normal-AES of the bulk H₂O, where the 4a₁ electron is delocalized before Auger transitions. H⁺ is found to be the only ion species in AEPICO spectra measured at the 4a₁ ← O 1s resonance and at the O 1s ionization (hν = 560 eV). The electron kinetic energy dependence of the AEPICO yield (AEPICO yield spectrum) at the 4a₁ ← O 1s resonance is found to be greatly different from that at the O 1s ionization. The peak positions of the AEPICO yield spectrum at the 4a₁ ← O 1s resonance are found to correspond to those of the spectator-AES of the surface H₂O, which is extracted from the AES at the 4a₁ ← O 1s resonance. Furthermore, the AEPICO yield is greatly enhanced at the 4a₁ ← O 1s resonance as compared with that at the O 1s ionization. On the basis of these results, a spectator-Auger-stimulated ion desorption mechanism and/or ultra-fast ion desorption mechanism are concluded to be responsible for the H⁺ desorption at the 4a₁ ← O 1s resonance. The enhancement of the H⁺ yield is ascribed to the O---H anti-bonding character of the 4a₁ orbital.