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纳米材料力学行为的原子尺度模拟研究 总被引:1,自引:1,他引:0
对几何尺寸极小的纳米材料而言,数值模拟是与实验测试同样有效的研究手段, 而且,当材料特征尺寸更小、缺乏可用的测试系统时,数值模拟可能是唯一的方法.介绍了近年来纳米材料力学行为的原子尺度数值模拟研究方面的若干新进展,重点综述了采用分子动力学模拟与第一原理计算对纳米材料的晶格不稳定性、理想强度、界面断裂、碳纳米管的力电特性和铁电纳米材料的力电特性等问题的研究结果.总结介绍了纳米材料原子尺度模拟中一些实用的计算策略和方法,并提出了若干需要进一步研究的问题. 相似文献
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纳米材料力学行为的原子尺度模拟研究 总被引:1,自引:0,他引:1
对几何尺寸极小的纳米材料而言,
数值模拟是与实验测试同样有效的研究手段, 而且,
当材料特征尺寸更小、缺乏可用的测试系统时,
数值模拟可能是唯一的方法.
介绍了近年来纳米材料力学行为的原子尺度数值模拟研究方面的若干新进展,
重点综述了采用分子动力学模拟与第一原理计算对纳米材料的晶格不稳定性、理想强度、界面断裂、碳纳米管的力电特性和铁电纳米材料的力电特性等问题的研究结果.
总结介绍了纳米材料原子尺度模拟中一些实用的计算策略和方法,
并提出了若干需要进一步研究的问题. 相似文献
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利用尿素分解法制备了镍铝基水滑石(LDH)纳米材料,然后采用离子交换法对其进行了磷酸酯插层修饰,成功合成了二丁基磷酸酯阴离子插层水滑石(LDH-DBP)和二异辛基磷酸酯阴离子插层水滑石(LDH-OBP)纳米材料.通过傅立叶变换红外光谱仪、X射线衍射仪、热重和透射电子显微镜对所制备纳米材料的化学组成、晶体结构及颗粒形貌进行了分析表征.采用SRV-IV摩擦试验机研究其作为PAO-4的润滑添加剂的摩擦学性能,试验结果表明:磷酸酯阴离子插层修饰的水滑石纳米添加剂可显著提高PAO-4在高载荷(200 N))条件下的摩擦学性能,其减摩抗磨机理可归于水滑石纳米材料的片状吸附和磷酸酯摩擦化学反应的协同作用. 相似文献
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陶瓷摩擦学研究的发展现状 总被引:20,自引:6,他引:20
本文综述了陶瓷摩擦学研究的发展现状,从干摩擦和润滑两个方面总结了氧化物陶瓷(Al_2O_3、ZrO_2)和非氧化物陶瓷(Si_3N_4、SiC)的摩擦磨损性能、磨损机理以及影响摩擦磨损性能的若干因素,并且提出了今后需要重点研究的几个课题。 相似文献
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近些年二维纳米材料得到了大量的研究,其中一个热点研究方向是将不同的二维纳米材料堆垛成纳米异质结构,从而实现多功能的纳米器件.这些二维纳米材料可以从面外和面内两个方向上进行堆垛从而形成两类不同的异质结构.在关于这类二维纳米材料及其异质结构的理论研究中,原子间的相互作用起到类似于连续介质力学中本构关系的作用.因此学者提出了多种方案用于描写原子间相互作用,主要包括第一性原理计算和经验势能模型等.本文主要是对比和分析各种描写二维纳米材料及其异质结构的常见经验势能模型,从而为研究人员选择相互作用模型提供一些参考. 相似文献
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《Acta Mechanica Solida Sinica》2017,(4)
The nanostructured Al-based composites possess the combination of high yield strength and good ductility. In this paper, a micromechanical model is presented to simulate the mechanical response of bimodal nanostructured Al and the particle-reinforced aluminum matrix composite(PAMC). The constitutive relations for different phases are addressed in the model, as well as the contribution of microcracks. Numerical results show that the model can successfully describe the enhanced strength and ductility of the bimodal nanostructured Al, and the predictions of the PAMC are in good agreement with the experimental data. It is worth noting that the strength and ductility are sensitive to the volume fraction of constituents and the distribution of microcracks in both bimodal nanostructured Al and PAMC. Therefore, the present theoretical results can be used to optimize the microstructure for improving the mechanical properties of nanostructured Al-based composites. 相似文献
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梯度纳米结构金属力学性能、变形机理和多尺度计算研究进展 总被引:1,自引:0,他引:1
近年来,梯度纳米结构金属因其优越的力学性能和独特的塑性变形机理受到广泛关注,已成为材料与力学学科的热点和前沿。本文首先介绍梯度纳米结构金属的强度、塑性、加工硬化和抗疲劳等核心力学性能,以及晶粒长大、塑性应变梯度和几何必需位错等塑性变形机理及其力学研究。其次介绍梯度纳米结构金属的多尺度计算与模拟研究。最后讨论梯度纳米结构金属研究领域存在的挑战。 相似文献
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Jianxiang Wang Zhuping Huang Huiling Duan Shouwen Yu Xiqiao Feng Gangfeng Wang Weixu Zhang Tiejun Wang LTCS and 《Acta Mechanica Solida Sinica》2011,24(1):52-82
This review article summarizes the advances in the surface stress effect in mechanics of nanostructured elements,including nanoparticles,nanowires,nanobeams,and nanofilms,and heterogeneous materials containing nanoscale inhomogeneities.It begins with the fundamental formulations of surface mechanics of solids,including the definition of surface stress as a surface excess quantity,the surface constitutive relations,and the surface equilibrium equations.Then,it depicts some theoretical and experimental studies of the mechanical properties of nanostructured elements,as well as the static and dynamic behaviour of cantilever sensors caused by the surface stress which is influenced by adsorption.Afterwards,the article gives a summary of the analytical elasto-static and dynamic solutions of a single as well as multiple inhomogeneities embedded in a matrix with the interface stress prevailing.The effect of surface elasticity on the diffraction of elastic waves is elucidated.Due to the difficulties in the analytical solution of inhomogeneities of complex shapes and configurations,finite element approaches have been developed for heterogeneous materials with the surface stress.Surface stress and surface energy are inherently related to crack propagation and the stress field in the vicinity of crack tips.The solutions of crack problems taking into account surface stress effects are also included.Predicting the effective elastic and plastic responses of heterogeneous materials while taking into account surface and interface stresses has received much attention.The advances in this topic are inevitably delineated.Mechanics of rough surfaces appears to deserve special attention due to its theoretical and practical implications.Some most recent work is reviewed.Finally,some challenges are pointed out.They include the characterization of surfaces and interfaces of real nanomaterials,experimental measurements and verification of mechanical parameters of complex surfaces,and the effects of the physical and chemical processes on the surface properties,etc. 相似文献
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QixiangWang FeiWei 《中国颗粒学报》2003,1(5):212-218
The research of nanoscale process engineering (NPE) is based on the interdisciplinary nature of nanoscale science and technology. It mainly deals with transformation of materials and energy into nanostructured materials and nanodevices, and synergizes the multidisciplinary convergence between materials science and technology, biotechnology, and information technology. The core technologies of NPE concern all aspects of nanodevice construction and operation, such as manufacture of nanomaterials “by design“, concepts and design of nanoarchitectures, and manufacture and control of customizable nanodevices. Two main targets of NPE at present are focused on nanoscale manufacture and concept design of nanodevices. The research progress of nanoscale manufacturing processes focused on creating nanostructures and assembling them into nanosystems and larger scale architectures has built the interdiscipline of NPE. The concepts and design of smart, multi-functional, environmentally compatible and customizable nanodevice prototypes built from the nanostructured systems of nanocrystalline, nanoporous and microemulsion systems are most challenging tasks of NPE. The development of NPE may also impel us to consider the curriculum and educational reform of chemical engineering in universities. 相似文献
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含能材料装药的损伤及力学性能研究进展 总被引:15,自引:0,他引:15
研究含能材料的损伤和力学性能对于指导含能材料配方和结构件设计,以及对含能材料进行安全性评估和寿命预测等都具有重要的意义.损伤一方面使含能材料的力学性能劣化,另一方面还影响含能材料的感度、燃烧甚至爆炸性能.本文对含能材料损伤和力学性能的研究现状进行了综述和归纳.对含能材料损伤的产生、实验模拟、主要损伤模式,损伤对含能材料的感度和燃烧性能等的影响,炸药单相材料的性质,影响含能材料力学性能的因素以及损伤本构关系等进行了介绍.对其中的一些关键问题和热点问题进行了分析,并对今后需要开展的工作发表了一些看法. 相似文献
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In the present research, hierarchical structure observation and mechanical property characterization for a type of biomaterial are carried out. The investigated biomaterial is Hyriopsis cumingii, a typical limnetic shell, which consists of two different structural layers, a prismatic "pillar"structure and a nacreous "brick and mortar" structure. The prismatic layer looks like a "pillar forest" with variationsection pillars sized on the order of several tens of microns.The nacreous material looks like a "brick wall" with bricks sized on the order of several microns. Both pillars and bricks are composed of nanoparticles. The mechanical properties of the hierarchical biomaterial are measured by using the nanoindentation test. Hardness and modulus are measured for both the nacre layer and the prismatic layer, respectively.The nanoindentation size effects for the hierarchical structural materials are investigated experimentally. The results show that the prismatic nanostructured material has a higher stiffness and hardness than the nacre nanostructured material.In addition, the nanoindentation size effects for the hierarchical structural materials are described theoretically, by using the trans-scale mechanics theory considering both strain gradient effect and the surface/interface effect. The modeling results are consistent with experimental ones. 相似文献
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电弧喷涂纳米结构涂层的组织与磨损性能 总被引:3,自引:1,他引:2
基于机器人自动化高速电弧喷涂技术在45#钢基体上制备了铁基纳米结构涂层.研究了纳米结构涂层在不同磨损速度?不同载荷下的磨损行为,并利用3Cr13涂层进行对比试验.采用扫描电镜?能谱分析仪,透射电镜和X射线衍射仪等设备对涂层的组织结构进行了表征,利用纳米压痕仪对涂层的力学性能进行了分析.结果表明:涂层的组织主要由非晶相和α(Fe,Cr)相纳米晶组成;平均尺寸为46nm的α(Fe,Cr)相纳米晶均匀分布于非晶基体内.涂层的组织均匀,结构致密,平均孔隙率含量为1.7%.纳米结构涂层具有较高的显微硬度;随着磨损速度升高,载荷增加,纳米结构涂层的磨损量也随之增加.纳米结构涂层具有良好的耐磨性,同一磨损条件下,其相对耐磨性为3Cr13涂层的2.6倍.纳米结构涂层主要磨损机制为脆性断裂机制. 相似文献
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Surface and interface play an important role on the overall mechanical behaviors of nanostructured materials. We investigate the effect of surface/interface stress on the macroscopic plastic behaviors of nanoporous materials and nanocomposites, where both the surface/interface residual stress and surface/interface elasticity are taken into account. A new second-order moment nonlinear micromechanics theory is developed and then reduced to macroscopically isotropic materials. It is found that the effect of surface/interface residual stress is much more prominent than that of the surface/interface elasticity, causing strong size effect as well as asymmetric plastic deformation for tension and compression. The variation of yield strength is more prominent with smaller pore/inclusion size or higher pore/inclusion volume fraction. For a representative nanoporous aluminum, the surface effect becomes significant when the pore radius is smaller than about 50 nm. When hard inclusions are embedded in a ductile metal matrix, the interface effect and resulting size effect are much smaller than that of nanoporous materials. The results may be useful for evaluating the mechanical integrity of nanostructured materials. 相似文献
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Mohammad Yeganeh Ghotbi 《Particuology》2012,10(4):492-496
Zinc hydroxide nitrate, an anionic exchanger layered material, undoped as well as doped with 2–10% nickel, was synthesized by using a pH-controlled precipitation method. The layered materials were then used to produce the undoped and nickel-doped zinc oxides by hydrothermal-treatment. X-ray diffraction, Fourier transform infrared spectroscopy and scanning electron microscopy confirmed the formation of pure phase undoped and nickel-doped layered materials, as well as the products of the hydrothermal-treated materials, nanostructured zinc oxides. Optical studies of the nanostructured zinc oxides showed a decrease in band gap with increasing content of the doping agent, nickel. 相似文献