铁素本中Ce与P晶界共偏聚的化学状态

用XPS结合计算机模拟了Ce与P在铁素体晶界上的偏聚状态，结果表明：当晶界P偏聚浓度较低，并以固溶态存在时，Ce对P的化学状态影响较小，当P的晶界浓度较高时，并以不同的化学状态存在时，Ce的影响较大，较多的Ce会改变P的化学状态，计算机模拟表明，晶界上P的化学状态取决于其偏聚结构。     

AES与计算机模拟技术研究Ce-P晶界共偏聚

用俄歇能谱分析(AES),结合计算机模拟技术研究稀土元素Ce与杂质元素P在铁中的晶界共偏聚规律。实验结果表明,在P含量较低的情况下,Ce有抑制P晶界偏聚的作用,而当P含量较高时,Ce却有促进P晶界偏聚的作用。计算机模拟结果表明,当晶界上P的偏聚量不同时,Ce原子与P原子在晶界形成的偏聚结构不同。Ce对P在晶界偏聚作用的改变主要是因为晶界偏聚的P浓度不同使Ce与P晶界共偏聚所形成的最低能量结构改变。     

溶质原子晶界偏聚动力学过程的数值模拟

建立了溶质原子在晶界的平衡偏聚、非平衡偏聚、晶界偏聚溶质向沉淀析出转化以及冷却速度等因素的晶界偏聚物理模型和数学模型.模型考虑了晶界及晶界附近扩展畸变区对溶质的吸附作用和吸附能力.对含硼0.001 0%的Fe-40%Ni-B合金体系从1 150℃连续冷却到640℃的过程中硼的晶界偏聚状态进行了模拟计算.计算表明,晶界区域硼富集因子在降温初期增加较快,随后增幅变缓,模拟数据显示过程中有晶界区域硼原子向晶内的反向扩散;当晶界上偏聚的硼转化为析出物时,晶界区域富集因子的增加再次变快.模拟计算结果与已发表的实验结果吻合较好.     

金属间化合物Ni3Al中的硼晶界偏聚特性的AES研究

本文应用俄歇能谱仪研究了不同化学计量比ＮｉＡｌ金属间化合物硼在晶界偏聚的特性。研究结果表明：硼在Ｎｉ３Ａｌ的各个晶界偏聚存在着不均匀性，硼在晶界的偏聚范围只有几个原子层，晶界结构及晶界化学环境是影响在晶界偏聚的决定因素。     

硼分布对Ni_3Al晶界的影响

用径迹显微照相技术(PTA)和TEM研究了含0.065wt％B的Ni_3Al合金中的硼分布对其晶界的影响。研究表明,当该合金于700、850、1000℃保温并空冷时,存在硼的晶界偏聚,且偏聚量随着保温温度的升高而减少,保温温度为1000℃时,偏聚量很少;保温温度为700℃或850℃时,偏聚量较大。硼晶界偏聚对该合金晶界内聚力的提高起着关键作用,硼的偏聚量较大时,合金呈完全穿晶断裂;硼的偏聚量较少时,合金呈完全沿晶断裂。     

硼钢淬透性与硼偏聚

用改进的径迹显微照相技术研究了50B钢800—1150℃顶端淬火试样中硼的分布状态及其变化规律与硼钢淬透性的关系。试验表明,硼钢淬透性的变化与冷却时硼向奥氏体晶界偏聚的发展速度密切相关。晶界硼偏聚来自二侧贫硼区,利用成分剖面图技术可定量测定这种偏聚的发展速度。 晶界硼偏聚发展过快与过慢均对发挥硼效应不利。试验表明,只有当晶界硼偏聚的发展速度与基体成分相变孕育期能较好配合时,硼的效应最大。利用这种观点可正确说明硼钢淬透性的变化特征及认识与分析影响硼钢淬透性的各种因素。     

RPV模拟钢热时效过程中碳化物与基体界面元素的偏聚

研究不同磷含量的反应堆压力容器(reactor pressure vessel, RPV)模拟钢在880 ºC固溶, 400 ºC不同时间时效后碳化物周围元素的偏聚. 结果表明, 低磷和高磷模拟钢在时效过程中均发现板条内碳化物与基体界面处存在磷偏聚, 偏聚程度与晶界一致. 高磷样品时效150 h, P, Si和C同时在厚度约为20 nm的范围内富集, 其浓度为基体的2倍; 高磷样品时效500 h, 在Fe₃C与基体的界面处分别存在厚度为7 nm的P和Si偏聚层, 其中P偏聚在近Fe₃C一侧, Si偏聚在近基体一侧, Si的偏聚阻碍了碳化物的长大.     

磷在Fe-P-C-Cu-Mo铁基粉末合金中的分布及其对性能的影响

在铁基粉末冶金材料中,为了获得强韧化效果,磷已被作为添加元素之一。本研究利用俄歇能谱、扫描电镜及能谱仪等研究了含0.6％磷的Fe-P-C-Cu-Mo合金中磷的分布及其对性能的影响。发现在1080℃～1200℃烧结,磷在晶界的浓度高于其在晶内的浓度。在此温度范围内,烧结温度越低,磷在晶界的偏聚程度越高。当烧结后的合金中含有大量的铁素体时,磷的这种偏聚状态对合金冲击韧性的影响被合金组织的影响所掩盖。在1080℃～1240℃烧结的合金断口均为穿晶断裂。此外还观察到回火后磷的分布对合金断裂方式及机械性能影响很大。合金淬火后在200℃回火,固溶在基体中的钼具有抑制磷向晶界偏聚的作用,合金断口表现为穿晶断裂;在400℃回火,由于钼形成了碳化钼(Mo_2C),失去了抑制磷偏聚的作用,这时磷主要偏聚在晶界,造成合金沿晶断裂,冲击韧性下降;在600℃回火,由于温度较高,减少了磷向晶界偏聚的趋势,并有利于磷作长程扩散,此时磷主要偏聚在孔隙表面,使合金具有较高的冲击韧性,合金断口呈韧窝状。     

偏聚于晶界的轻杂质对Fe韧脆特性的影响

利用第一原理理论计算了轻杂质P、N在体心F e∑3[110](111)晶界和F e(111)表面的偏聚能,从能量方面对P、N的韧脆机制进行了探讨.结果表明,P在晶界上的偏聚能比表面上更高,更有利于偏聚在表面而非晶界,而N则相反.因此,P为脆性杂质,N为韧性杂质,此结果与实验观察相符.还分析了造成这一结果的化学因素和力学因素的影响,指出了在计算中对原子结构进行驰豫的必要性.     

稀土对CuP耐大气腐蚀钢韧性的影响

用系列冲击试验,AES和SEM分析研究了CuP耐大气腐蚀钢中P的偏聚行为,钢中添加稀土后断口形貌的变化及对钢韧性的影响。结果表明,钢中加入稀土,可净化晶界,断口形貌由沿晶断裂向穿晶断裂过渡,提高韧性。CuP钢中确有P沿晶界偏聚。添加稀土后,晶界P偏聚减少,是钢韧性提高的重要原因,但P的偏聚尚未完全消失。     

Al2 O3掺杂对Ce0.8 Gd0.15 Y0.05 O2-δ固体电解质的微结构与电性能的影响

采用溶胶-凝胶法制备了AlO1.5掺杂浓度为0.5%,1.0%,2.0%的AlO1.5/Ce0.8Gd0.15Y0.05O2-δ固体电解质材料,利用X射线衍射（XRD）、扫描电子显微镜（SEM）和交流阻抗谱研究了Al2O3掺杂对Ce0.8Gd0.15Y0.05O2-δ微观结构及电性能的影响,结果表明：800℃焙烧的所有粉末样品均为单相立方萤石结构,在所有样品中,AlO1.5掺杂量为0.5%的样品晶粒均匀,较致密,交流阻抗谱测试表明掺杂AlO1.5（x=0.5%）使Ce0.8Gd0.15Y0.05O2-δ晶界电阻减小,晶界电导率增高;当AlO1.5掺杂量x≥1%时,Al2O3对晶界的阻塞作用使晶界电导率降低,在所有样品中Ce0.8Gd0.15Y0.05O2-δ/0.5%AlO1.5晶界电导率最高（σ700℃=8.12×10-3S/cm）,说明在Ce0.8Gd0.15Y0.05O2-δ少量掺杂AlO1.5（x=0.5%）具有烧结助剂和晶界清除剂的作用.     

热时效和辐照环境下Fe-Cr-Mn奥氏体钢晶界溶质元素偏聚和相析出

研究了含2％W和V的Fe-Cr-Mn合金经热时效处理和电子辐照条件下,溶质元素晶界偏聚和析出相的行为。实验结果表明:在含W、V合金中热时效引起Cr、Mn晶界贫化,它决定于富Cr碳化物M_(23)C_6中组元组成。辐照条件下,两种合金中Cr、Mn都发生晶界贫化,它决定于辐照产生空位浓度和空洞体胀量,辐照诱起晶界元素偏聚影响析出相成分。     

Optimal design of sintered Ce_9Nd_(21)Fe_(bal)B_1 magnets with a low-melting-point (Ce,Nd)-rich phase

A systemic investigation was done on the chemistry and crystal structure of boundary phases in sintered Ce9Nd21FebalB1(wt%) magnets. Ce2Fe14B is believed to be more soluble in the rare-earth(RE)-rich liquid phase during the sintering process. Thus, the grain size and oxygen content were controlled via low-temperature sintering, resulting in high coercivity and maximum energy products. In addition, Ce formed massive agglomerations at the triple-point junctions, as confirmed by elemental mapping results. Transmission electron microscopy(TEM) images indicated the presence of(Ce,Nd)Ox phases at grain boundaries. By controlling the composition and optimizing the preparation process, we successfully obtained Ce9Nd21FebalB1 sintered magnets; the prepared magnets exhibited a residual induction, coercivity, and energy product of 1.353 T, 759 k A/m, and 342 k J/m3, respectively.     

Improvement of tensile behaviours of a γ'-Co3(Al,W) strengthened polycrystalline Co-9Al-4.5W-4.5Mo-2Ta-0.02B alloy at room-and high-temperatures by doping Ce

The microstructures and tensile behaviours of cerium (Ce) doped polycrystalline Co-9Al-4.5W-4.5Mo-2Ta-0.02B alloys (doped 0.05 and 0.2 at.% Ce) at room temperature (RT) and 600–800 °C were investigated. In-suit tensile test under SEM was conducted to understand the deformation and damage mechanisms at RT. Aged at 800 °C for 50 h, the 0.05Ce alloy consisted of a Co solid-solution matrix (γ-Co_SS) and nano-scale cuboidal γ′-Co₃(Al, W) precipitates, while for the 0.2Ce alloy, κ-Co₃(W, Mo) precipitates and γ′-depleted zone were present at the grain boundaries in addition to the γ/γ′ microstructure. The 0.05Ce alloy exhibited flow stress anomalies at 700 °C. With higher Σ1∼3 boundary fraction and cleaned-up grain boundary, the 0.05Ce alloy always showed greater strength and elongation than the 0.2 Ce alloy with the grain boundary precipitates at temperatures up to 800 °C. Doped 0.05 at.% Ce made the Co-9Al-4.5W-4.5Mo-2Ta-0.02B alloy have an excellent elongation of 6.1% at 700 °C, owing to a mixed transgranular dimple plus intergranular cleavage fracture. The slip bands transferring through the low-angle grain boundary and slipping of the γ′-Co₃(Al, W) in the 0.5Ce alloy resulted in excellent ductility of 20.4% at RT.     

Grains and grain boundaries in single-layer graphene atomic patchwork quilts

The properties of polycrystalline materials are often dominated by the size of their grains and by the atomic structure of their grain boundaries. These effects should be especially pronounced in two-dimensional materials, where even a line defect can divide and disrupt a crystal. These issues take on practical significance in graphene, which is a hexagonal, two-dimensional crystal of carbon atoms. Single-atom-thick graphene sheets can now be produced by chemical vapour deposition on scales of up to metres, making their polycrystallinity almost unavoidable. Theoretically, graphene grain boundaries are predicted to have distinct electronic, magnetic, chemical and mechanical properties that strongly depend on their atomic arrangement. Yet because of the five-order-of-magnitude size difference between grains and the atoms at grain boundaries, few experiments have fully explored the graphene grain structure. Here we use a combination of old and new transmission electron microscopy techniques to bridge these length scales. Using atomic-resolution imaging, we determine the location and identity of every atom at a grain boundary and find that different grains stitch together predominantly through pentagon-heptagon pairs. Rather than individually imaging the several billion atoms in each grain, we use diffraction-filtered imaging to rapidly map the location, orientation and shape of several hundred grains and boundaries, where only a handful have been previously reported. The resulting images reveal an unexpectedly small and intricate patchwork of grains connected by tilt boundaries. By correlating grain imaging with scanning probe and transport measurements, we show that these grain boundaries severely weaken the mechanical strength of graphene membranes but do not as drastically alter their electrical properties. These techniques open a new window for studies on the structure, properties and control of grains and grain boundaries in graphene and other two-dimensional materials.     

Three-dimensional X-ray structural microscopy with submicrometre resolution

Advanced materials and processing techniques are based largely on the generation and control of non-homogeneous microstructures, such as precipitates and grain boundaries. X-ray tomography can provide three-dimensional density and chemical distributions of such structures with submicrometre resolution; structural methods exist that give submicrometre resolution in two dimensions; and techniques are available for obtaining grain-centroid positions and grain-average strains in three dimensions. But non-destructive point-to-point three-dimensional structural probes have not hitherto been available for investigations at the critical mesoscopic length scales (tenths to hundreds of micrometres). As a result, investigations of three-dimensional mesoscale phenomena--such as grain growth, deformation, crumpling and strain-gradient effects--rely increasingly on computation and modelling without direct experimental input. Here we describe a three-dimensional X-ray microscopy technique that uses polychromatic synchrotron X-ray microbeams to probe local crystal structure, orientation and strain tensors with submicrometre spatial resolution. We demonstrate the utility of this approach with micrometre-resolution three-dimensional measurements of grain orientations and sizes in polycrystalline aluminium, and with micrometre depth-resolved measurements of elastic strain tensors in cylindrically bent silicon. This technique is applicable to single-crystal, polycrystalline, composite and functionally graded materials.     

Atom-resolved imaging of ordered defect superstructures at individual grain boundaries

The ability to resolve spatially and identify chemically atoms in defects would greatly advance our understanding of the correlation between structure and property in materials. This is particularly important in polycrystalline materials, in which the grain boundaries have profound implications for the properties and applications of the final material. However, such atomic resolution is still extremely difficult to achieve, partly because grain boundaries are effective sinks for atomic defects and impurities, which may drive structural transformation of grain boundaries and consequently modify material properties. Regardless of the origin of these sinks, the interplay between defects and grain boundaries complicates our efforts to pinpoint the exact sites and chemistries of the entities present in the defective regions, thereby limiting our understanding of how specific defects mediate property changes. Here we show that the combination of advanced electron microscopy, spectroscopy and first-principles calculations can provide three-dimensional images of complex, multicomponent grain boundaries with both atomic resolution and chemical sensitivity. The high resolution of these techniques allows us to demonstrate that even for magnesium oxide, which has a simple rock-salt structure, grain boundaries can accommodate complex ordered defect superstructures that induce significant electron trapping in the bandgap of the oxide. These results offer insights into interactions between defects and grain boundaries in ceramics and demonstrate that atomic-scale analysis of complex multicomponent structures in materials is now becoming possible.     

增强可见光透过的铈掺杂ATO透明薄膜研究

采用溶胶-凝胶法与浸渍提拉技术在普通玻璃片上制备出纳米铈掺杂的ATO (Ce/ATO)透明薄膜. 利用XRD、SEM、UV-Vis和FL等测试方法对薄膜的结构与性能进行了表征. 结果表明:Ce/ATO薄膜仍保持四方金红石晶相结构,且铈成功地掺杂到ATO中;薄膜表面光滑平整、结构致密,膜层晶粒分布均匀,晶粒尺寸分布为8-12 nm;与ATO薄膜相比, Ce/ATO薄膜在可见光区的透过率有明显增强, 当Ce掺杂量为1 mol%时,薄膜在440 nm-680 nm的透过率超过了空白玻璃;当Ce掺杂量为3 mol%时,薄膜在440 nm-600 nm的平均透过率达到92%以上.