含中心裂纹梯度纳晶金属的数值模拟

梯度纳晶金属由于其微观组织的梯度分布,力学属性也呈现梯度变化,这使得其表现出不同于传统均匀材料的断裂行为．利用材料力学参数的梯度分布来表征梯度纳晶金属中晶粒尺寸的梯度变化,并编写ABAQUS和MATLAB脚本程序建立分层有限元模型．通过数值模拟计算了含有初始中心裂纹的梯度纳晶金属在受远端均匀拉应力作用下的裂尖J积分,分别研究了屈服应力梯度、裂纹角度和裂纹长度对金属材料断裂韧性的影响,并与传统粗晶进行了对比．结果表明梯度纳米结构的存在导致梯度纳晶金属内部的中心裂纹两端表现出不同的断裂韧性,小晶粒一侧裂尖的抗裂韧性优于大晶粒一侧裂尖,且屈服应力梯度绝对值越大,两者差距越大．梯度纳晶金属的断裂韧性受中心裂纹角度和长度变化的影响与传统粗晶金属基本一致,同时在晶粒尺寸梯度的作用下梯度纳晶的裂尖J积分略低于粗晶,即整体上拥有更好的抗裂韧性．     

Mechanosynthesis of spinel ferrite nanoparticles followed by Mössbauer spectroscopy

The single-step synthesis of nanosized MgFe₂O₄ and NiFe₂O₄ via mechanochemical processing of binary oxide precursors is followed by ⁵⁷Fe Mössbauer spectroscopy. Quantitative information is provided on both ionic and spin configurations in mechanosynthesized spinels. The response of the mechanosynthesized ferrite nanoparticles to changes in temperature is also studied.     

高效光催化活性钠米农药制剂的制备

采用钛酸丁酯水解法制备出直径约为20 nm的纳米TiO2,并用钛酸丁酯对其进行改性。研究表明TiO2与硬脂酸事实上通过化学键键合,由亲水性变为亲油性。文中还提出了三种制备TiO2复合纳米农药制剂的方案,并探讨了几种TiO2复合纳米农药制剂在不同条件下的光催化降解率。结果表明,采用钛酸丁酯为原料直接在农药乳油中原位生成的TiO2复合纳米农药制剂与原农药性状保持基本一致,光催化降解率最大。     

光电变色器件用纳米晶氧化钛薄膜的微结构与特性

纳米晶TiO2薄膜在光电变色器件中具有很重要的作用。它的微结构直接影响染料的吸附、光的散射以及电荷输运的特性。因此，探索TiO2薄膜的微结构(如粒径、表面形貌和厚度等)及光电性能是非常有意义的。采用电子束蒸发工艺制备了光电变色器件用纳晶TiO2薄膜，利用原子力显微镜、X射线衍射、俄歇电子能谱等手段对纳米晶TiO2薄膜的表面形貌、结晶状态及组分进行了分析。从理论上研究和讨论了纳米晶TiO2薄膜晶粒尺寸对光电性能的影响，并用量子限制效应解释了吸收光谱峰值波长随粒径减小而发生蓝移的现象。     

Low Temperature Sol-Gel Preparation of Nanocrystalline TiO2 Thin Films

TiO₂ nanocrystalline thin films with varying degree of porosity have been prepared using a low temperature method. TiO₂ films of the anatase form have been obtained by using a polyethylene glycol (PEG) modified sol-gel method. Densification and crystallization of the films was found to result from the thermal treatment of the dip coated films in boiling water. The films have been characterized by Raman, XRD, FTIR, AFM and optical methods. Highly transparent films with transmission in excess of 85% and porosity as high as 58% are formed predominantly of anatase crystallites of dimensions of the order of 5 nm. Initial results on lithium intercalation into these films resulting in an efficient optical modulation in the visible and near infrared regions demonstrate a good potential of these films for electrochromic applications.     

纳米晶钽在单向拉伸载荷下的分子动力学模拟

利用分子动力学方法模拟了纳米晶钽在单轴拉伸载荷作用下的微观结构演化情况. 结果表明纳米晶钽在塑性变形过程中可以发生从BCC到FCC, HCP结构的应力诱导相变. FCC 结构原子百分比的最大值和试样的抗拉强度成线性关系,据此可推出一个相变发生的临界应 力值. 应变率越大,相变滞后于应力越严重. 当应变达到一定值时,试样会发生晶间断裂现 象,定量分析发现纳米晶钽晶间裂纹初始形成应变不受平均晶粒尺寸的影响,而与应变率和 模拟温度有着密切的关系.     

SIMULATIONS OF MECHANICAL BEHAVIOR OF POLYCRYSTALLINE COPPER WITH NANO-TWINS

Mechanical behavior and microstructure evolution of polycrystalline copper with nano-twins were investigated in the present work by finite element simulations. The fracture of grain boundaries are described by a cohesive interface constitutive model based on the strain gradient plasticity theory. A systematic study of the strength and ductility for different grain sizes and twin lamellae distributions is performed. The results show that the material strength and ductility strongly depend on the grain size and the distribution of twin lamellae microstructures in the polycrystalline copper.     

电沉积纳米晶Ni-Co-Fe-P合金镀层的组织结构与摩擦磨损性能

用脉冲电沉积方法制备了纳米晶N i-Co-Fe-P合金镀层.采用X射线衍射（XRD）,透射电镜（TEM）,扫描电镜（SEM）,能谱分析（EDS）等方法研究了合金镀层的微观组织结构和成份.采用显微硬度计和摩擦磨损试验机测试合金镀层的显微硬度和摩擦磨损性能.结果表明：纳米晶N i-40.41%Co-6.16%Fe-1.63%P合金镀层的晶粒尺寸为8.3 nm,显微硬度和耐磨性明显高于不含P的N i-Co-Fe镀层;适当温度退火可以提高镀层的硬度及耐磨性;镀层的耐磨性与其硬度成正相关,且随着硬度的提高,镀层的磨损机理由磨粒磨损和黏着磨损共同作用转变为磨粒磨损主导.     

Fibril stability in solutions of twisted -sheet peptides: a new kind of micellization in chiral systems

The problem of fibril (fibre) formation in chiral systems is explored theoretically being supported by experiments on synthetic de novo 11-mer peptide forming self-assembled -sheet tapes. Experimental data unambiguously indicate that the tapes form fibrils of nearly monodisperse thickness ca . 8-10 nm. Fibril formation and stabilisation are attributed to inter-tape face-to-face attraction and their intrinsic twist, correspondingly. The proposed theory is capable of predicting the fibril aggregation number and its equilibrium twist in terms of molecular parameters of the primary tapes. The suggested novel mechanism of twist stabilisation of finite aggregates (fibrils) is different to the well-known stabilisation of micelles in amphiphilic systems, and it is likely to explain the formation and stability of fibrils in a wide variety of systems including proteinaceous amyloid fibres, sickle-cell hemoglobin fibres responsible for HbS anemia, corkscrew threads found in chromonics in the presence of chiral additives and native cellulose microfibrillar crystallites. The theory also makes it possible to extract the basic molecular parameters of primary tapes (inter-tape attraction energy, helical twist step, elastic moduli) from the experimental data. Received 7 May 1999 and Received in final form 15 February 2000     

Magnetic properties of iron nitride-alumina nanocomposite materials prepared by high-energy ball milling

The structural and magnetic properties of the granular iron nitride-alumina composite materials, (Fe_xN)_0.2(Al₂O₃)_0.8 and (Fe_xN)_0.6(Al₂O₃)_0.4, fabricated using high-energy ball milling have been determined by using X-ray diffraction, Mössbauer spectroscopy, and magnetization measurements. The Mössbauer spectra, fit with a distribution of hyperfine fields between zero and 40 T, indicate that the weighted average field decreases with increasing milling time. The isomer shift increases with milling time because of a reduced iron 4s-electron density at the grain boundaries. Coercive fields as high as 325 and 110 Oe are obtained for (Fe_xN)_0.2(Al₂O₃)_0.8 at 5 and 300 K, respectively; the increase in the coercive field upon cooling indicates the presence of superparamagnetic particles. The coercive field increases with milling time because of the reduced particle size. The decrease in the magnetization results from the increase in both the superparamagnetic fraction and the concentration of surface defects with increased milling time.