The effects of the finest grains on the mechanical behaviours of nanocrystalline materials

This article proposes a new constitutive model to account for effects of the finest grains, with sizes ranging from 2 to 4 nm, on the mechanical behaviours of nanocrystalline (NC) materials. In this model, the normal nanograins (ranging from 20 to 100 nm) were treated as though they were composed of a grain interior (GI) and a grain boundary (GB) affected zone (GBAZ). The finest grains were considered to be part of the GBAZ, denoted as super triple junctions (STJs). For the initial plastic deformation stage of the NC materials, a phenomenological constitutive equation was suggested to predict the deformation behaviours of the GBAZ. The formation of GB dislocation (GBD) pileups provides dramatic strain hardening in deformed NC materials and thereby enhances their ductility. Then, the constitutive equations to describe the plastic deformation of the GI and the GBAZ lattice region were established. In this stage, the GBAZ are already saturated with GBD pileups, and GI deformation is the dominant mechanism. Finally, the mechanical model for the NC materials with the finest grains was built using the self-consistent method, and an overall moderate “work hardening,” sustained over a long range of plastic strain, was predicted. The effects of TJs/STJs on the deformation mechanism were quantitatively analysed. The analysis demonstrated that the existence of the finest grains will simultaneously lead to good strength and good ductility.     

高压烧结镀Cr、Ti膜金刚石/铜复合材料热导率研究

 采用磁控溅射方法,在金刚石表面镀覆活性金属Cr膜和Ti膜,在高温高压下合成了镀活性金属膜金刚石/铜复合材料。实验发现,活性金属的加入增强了金刚石与铜界面间的结合强度,减少了界面热阻,提高了复合材料的热导率。复合材料热导率随着金刚石体积分数的增加而降低,随着金刚石的粒度增大而提高。这主要是由界面热阻引起的,可以通过增大金刚石粒度和改善界面状态来提高复合材料热导率。     

铝纳米颗粒的热物性及相变行为的分子动力学模拟

采用分子动力学方法模拟了纳米金属铝在粒径为0.8-3.2 nm 时的熔点、密度和声子热导率的变化, 研究了粒径为1.6 nm的铝纳米颗粒的密度、比热和声子热导率随温度的变化. 采用原子嵌入势较好地模拟了纳米金属铝的热物性及相变行为, 根据能量-温度曲线和比热容-温度曲线对铝纳米颗粒的相变温度进行了研究, 并利用表面能理论、尺寸效应理论对铝纳米颗粒熔点的变化进行了分析. 随着纳米粒径的不断增大, 铝纳米颗粒的熔点呈递增状态, 当粒径在2.2-3.2 nm时, 熔点的增幅减缓, 但仍处于递增趋势. 随着纳米粒径的增大, 铝纳米颗粒的密度呈单调递减, 热导率则呈线性单调递增, 且热导率的变化情况符合声子理论. 随着温度的升高, 粒径为1.6 nm的铝纳米颗粒的密度、热导率均减小. 该模拟从微观原子角度对纳米材料的热物性进行了研究, 对设计基于铝纳米颗粒的相变材料具有指导意义.     

Quick preparation and thermal transport properties of nanostructured β-FeSi2 bulk material

This paper reports that the nanostructured β-FeSi2 bulk materials are prepared by a new synthesis process by combining melt spinning(MS) and subsequent spark plasma sintering(SPS).It investigates the influence of linear speed of the rolling copper wheel,injection pressure and SPS regime on microstructure and phase composition of the rapidly solidified ribbons after MS and bulk production respectively,and discusses the effects of the microstructure on thermal transport properties.There are two crystalline phases(α-Fe2Si5 and ε-FeSi) in the rapidly solidified ribbons;the crystal grains become smaller when the cooling rate increases(the 20 nm minimum crystal of ε-FeSi is obtained).Having been sintered for 1 min above 1123 K and annealed for 5 min at 923 K,the single-phase nanostructured βFeSi2 bulk materials with 200-500 nm grain size and 98% relative density are obtained.The microstructure of β-FeSi2 has great effect on thermal transport properties.With decreasing sintering temperature,the grain size decreases,the thermal conductivity of β-FeSi2 is reduced remarkably.The thermal conductivity of β-FeSi2 decreases notably(reduced 72% at room temperature) in comparison with the β-FeSi2 prepared by traditional casting method.     

CoSb3纳米热电材料的制备及热传输特性

以Sb，Co为起始原料，采用固相反应法合成了CoSb3.通过高能球磨制得CoSb3纳米粉末，用放电等离子烧结(SPS)方法制备出最小平均晶粒尺寸为150nm的块体材料.研究了晶粒尺寸与热传输性能之间的关系：CoSb3化合物结构纳米化对其晶格热导率κL有显著影响，当晶粒尺寸由微米尺度减小到纳米尺度，晶格热导率κL显著降低，但对载流子热导率κc的影响不甚显著.CoSb3化合物的热导率κ随晶粒尺寸的减小而降 低主要是由于晶格热导率κL随晶粒尺寸的减小而降低所致. 关键词： 纳米 Skutterudite 制备 热传输特性     

纳米石墨烯片-正十八烷复合相变材料制备及热物性研究

本文分别制备了纳米石墨烯片质量分数为0%, 0.5%, 1%, 1.5%, 2%的纳米石墨烯片-正十八烷复合相变材料,并通过扫描电镜测试、红外光谱分析、差示扫描量热实验及导热分析等实验对其形貌结构及热物性进行表征和研究.实验表明本文制备的纳米石墨烯-正十八烷复合相变材料具有很好的相变稳定性;当纳米石墨烯片的质量分数达到2%时,复合相变材料的导热系数相对于纯十八烷高出了89.4%.     

冷却速率对温敏聚N-异丙基丙烯酰胺胶体结晶过程的影响

冷却速率对结晶过程具有重要的影响. 本文采用温敏poly-N-isopropylacrylamide (PNIPAM) 胶体晶体体系实时观察了冷却速率对结晶晶粒尺寸的影响. 通过高倍透射明场观察和Bragg衍射观察研究连续冷却下的晶粒形核和生长实时演化过程, 发现随着冷却速率的增加, PNIPAM胶体晶体晶粒尺寸不断减少. 晶粒尺寸与冷却速率符合幂指数关系, 与金属体系具有相似的演化规律.     

Effect of porosity on the thermal conductivity of copper processed by powder metallurgy

Powder metallurgy is a preferred method of processing copper–carbon composites due to the non-wetting nature of these materials. Porosities are inherently introduced in these material systems, and adversely affect the thermal conductivity of the composite material, among other factors including interfaces and reinforcement distribution. In this work, we focus on the matrix material of pure copper and systematically analyzed the effect of volume fraction of porosities on the thermal conductivity. Spherical and dendritic copper powder materials were processed and it was found that the surface chemistry and morphology of particles affected the thermal conductivity apart from the porosity values. In order to study the effect of porosities alone, dentritic powder was used in the study. The thermal conductivity vs. porosity behavior showed three distinct domains. In all the domains the thermal conductivity decreases as volume fraction of porosities increases; however, in domain II, the decrease was much steeper than the other two. We are able to explain the variation based on the presence of interconnected and open pores in domain III to closed pores in domain I, and the transition occurring in domain II. None of the existing models capture the overall behavior. However, if we specifically account for the variation of number of grain boundaries with sintering, then the modified EMT model can match the experimental data.     

Grain-size-dependent thermal conductivity of nanocrystalline materials

In order to study the influence of grain size and lattice strain on the thermal conductivity of nanocrystalline (NC) materials, both experimental and theoretical studies were carried out on NC copper. The NC copper samples were prepared by hot isostatic pressing of nano-sized powder particles with mean grain size of 30 nm. The thermal behaviors of the samples were measured to be 175.63–233.37 W (m K)^?1 by using a laser method at 300 K, which is 45.6 and 60.6 % of the coarse-grained copper, respectively. The average grain size lies in the range of 56–187 nm, and the lattice strain is in the range of ?0.21 to ?0.45 % (in the direction of 111) and ?0.09 to 0.92 % (in the direction of 200). In addition, a modified Kapitza resistance model was developed to study the thermal transport in NC copper. The theoretical calculations based on the presented theoretical model were in good agreement with our experimental results, and it demonstrated that the thermal conductivity of NC materials show obvious size effect. It is also evident that the decrease in the thermal conductivity of NC material can be mainly attributed to the nano-size effect rather than the lattice strain effect.     

考虑界面散射的金属纳米线热导率修正

理论分析了声子和电子输运对Cu, Ag金属纳米线热导率的贡献. 采用镶嵌原子作用势模型描述纳米尺寸下金属原子间的相互作用, 应用平衡分子动力学方法和Green-Kubo函数模拟了金属纳米线的声子热导率; 采用玻尔兹曼输运理论和Wiedemann-Franz定律计算电子热导率; 并通过散射失配模型和Mayadas-Shatzkes模型引入晶界散射的影响. 在此基础上, 考察分析了纳米线尺度和温度的影响. 研究结果表明: Cu, Ag纳米线热导率的变化规律相似; 电子输运对金属纳米线的导热占主导地位, 而声子热导率的贡献也不容忽视; 晶界散射导致热导率减小, 尤其对电子热导率作用显著; 纳米线总热导率随着温度的升高而降低; 随着截面尺寸减小而减小, 但声子热导率所占份额有所增加. 关键词： 纳米线 热导率 表面散射 晶界散射     

纳晶铜晶粒尺寸对热导率的影响

用热压烧结法制备得到纳晶铜块体. 用激光法测定了不同温度下制备得到的纳晶铜块体的热导率, 并建立卡皮查热阻模型对样品热导率进行模拟. 通过对比, 模拟结果与实验数据基本一致. 随着热压烧结温度的升高, 纳晶铜晶粒尺寸也随之增大. 在900和700 ℃其热导率分别达到了最大和最小值且所对应的热导率分别为200.63和233.37 W·m^-1·K^-1, 各占粗晶铜块体热导率的53.4%和60.6%. 验证了纳晶铜热导率在一定的晶粒尺寸范围内具有尺寸效应, 随着晶粒尺寸的减小, 热导率逐渐减小.     

气凝胶及其复合绝热材料的导热系数测量

采用瞬态热带法在不同压力和不同温度下对气凝胶、硬硅钙石-气凝胶及陶瓷纤维-气凝胶复合绝热材料的导热系数进行了测量.结果表明,随着测试压力的降低,三种材料的导热系数都显著降低,在大约104 Pa时基本趋于常数;随着温度的升高,三种绝热材料的导热系数几乎与温度的立方成正比;当气凝胶的密度为145 kg/m3时,其导热系数具...     

The influence of structural features on the thermal conductivity of polycrystalline zinc sulfide

The thermal conductivity of single-crystal zinc sulfide and optically transparent zinc sulfide polycrystals differing in crystal grain size and density is experimentally investigated in the temperature range 80–400 K. It is shown that the thermal conductivity of polycrystalline samples substantially depends on the crystal grain size and the defect concentration in the grain-boundary layers. In zinc sulfide samples with a grain size of 1 μm, excess thermal resistance due to phonon scattering by grain boundaries is observed at temperatures T<130 K. It is demonstrated that, at higher temperatures (T>210 K), the heat transfer is associated not only with transverse phonon modes but also with longitudinal phonon modes and the role of the latter modes increases with an increase in temperature. __________ Translated from Fizika Tverdogo Tela, Vol. 44, No. 2, 2002, pp. 251–256. Original Russian Text Copyright ? 2002 by Lugueva, Luguev.     

包含倾斜晶界的双晶ZnO的热输运行为

用嵌入位错线法和重合位置点阵法构建含有小角度和大角度倾斜角的双晶氧化锌纳米结构.用非平衡分子动力学方法模拟双晶氧化锌在不同倾斜角度下的晶界能、卡皮查热阻,并研究了样本长度和温度对卡皮查热阻和热导率的影响.模拟结果表明,晶界能在小角度区域随倾斜角线性增加,而在大角度区域达到稳定,与卡皮查热阻的变化趋势一致.热导率随样本长度的增加而增加,卡皮查热阻表现出相反的趋势.然而随着温度的增加,热导率和卡皮查热阻都减小.通过比较含5.45°和38.94°晶界样本的声子态密度,发现声子光学支对热传导的影响不大,主要由声子声学支贡献,大角度晶界对声子散射作用更强,声学支波峰向低频率移动.     

The effect of strontium doping on densification and electrical properties of Ce<Subscript>0.8</Subscript>Gd<Subscript>0.2</Subscript>O<Subscript>2−<Emphasis Type="Italic">δ</Emphasis></Subscript> electrolyte for IT-SOFC application

The effect of strontium doping on densification and ionic conductivity of gadolinium-doped ceria (GDC) was investigated. Doped (Sr-GDC) and un-doped GDC green specimens were subjected to dilatometric measurements to evaluate their sintering behavior and to identify the sintering temperature regimes. XRD spectra show the crystal structure of the sintered samples to be cubic. Strontium doping has exhibited a relatively larger grain size as is evident by the microstructural characterization. AC impedance analysis exhibited a threefold increase in ionic conductivity for Sr-GDC (0.072 S/cm) in comparison to GDC (0.028 S/cm) samples which can be attributed to improved density and increased grain size, resulting in enhancement of total conductivity. Additionally, strontium doping to GDC lattice not only increases the oxygen vacancies but also decreases the lattice binding energy, leading to increase in oxygen ion mobility which is also confirmed by the lower activation energy exhibited by the Sr-GDC formulation. Our experimental results established that co-doping is very effective in identifying new materials with remarkably high ionic conductivity with substantial reduction in the cost for solid oxide fuel cell application.     

Enhanced ionic conductivity in LAGP/LATP composite electrolyte

Nasicon materials(sodium superionic conductors) such as Li_(1.5)Al_(0.5)Ge_(1.5)(PO_4)_3(LAGP) and Li_(1.4)Al_(0.4)Ti_(1.6)(PO_4)_3(LATP) have been considered as important solid electrolytes due to their high ionic conductivity and chemical stability.Compared to LAGP, LATP has higher bulk conductivity around 10~(-3) S/cm at room temperature; however, the apparent grain boundary conductivity is almost two orders of magnitude lower than the bulk, while LAGP has similar bulk and grain boundary conductivity around the order of 10~(-4) S/cm. To make full use of the advantages of the two electrolytes, pure phase Li_(1.5)Al_(0.5)Ge_(1.5)(PO_4)_3 and Li_(1.4)Al_(0.4)Ti_(1.6)(PO_4)_3 were synthesized through solid state reaction, a series of composite electrolytes consisting of LAGP and LATP with different weight ratios were designed. XRD and variable temperature AC impedance spectra were carried out to clarify the crystal structure and the ion transport properties of the composite electrolytes. The results indicate that the composite electrolyte with the LATP/LAGP weight ratio of 80:20 achieved the highest bulk conductivity which shall be due to the formation of solid solution phase Li1.42 Al0.42 Ge0.3 Ti1.28(PO4)3, while the highest grain boundary conductivity appeared at the LATP/LAGP weight ratio of 20:80 which may be due to the excellent interfacial phase between Li_(1+x)Al_xGe_yTi_(2-x-y)(PO_4)_3/LATP. All the composite electrolytes demonstrated higher total conductivity than the pure LAGP and LATP, which highlights the importance of heterogeneous interface on regulating the ion transport properties.     

石墨烯气凝胶复合相变材料的热物性研究

相变材料利用其相变潜热能力可吸收储存和释放利用热量,同时在相变过程中其温度浮动小,能够实现温度控制从而用于热管理.但是其低热导率和易泄露问题严重制约了其性能.石墨烯气凝胶因其丰富的多孔结构而具有较大的比表面积,可吸附相变材料解决其泄露问题,同时石墨烯的高导热系数可提高相变材料的热导率.这里选取正十八烷为相变材料,制备了不同质量分数的石墨烯气凝胶复合相变材料.测得石墨烯气凝胶含量为13.99 wt%的样品,其导热系数比纯正十八烷高出306.2%,熔化潜热和凝固潜热分别下降了13.8%和10.8%.分子动力学模拟结果表明,石墨烯气凝胶的引入会在一定程度上增强正十八烷分子的有序性和一致性,即在同一温度下复合相变材料中的正十八烷分子比纯正十八烷分子拥有更集中分布的末端距和扭转角,径向分布函数和自扩散系数都相对较低,说明石墨烯材料的引入可以提升正十八烷的导热系数.     

A study on preparation and properties of carbon materials/myristic acid composite phase change thermal energy storage materials

Microscale graphite (Gr) and nanoscale multi-walled carbon nanotubes (MWCNTs) were chosen to modify the organic phase change material (PCM) of myristic acid (MA). The Gr/MA and MWCNTs/MA composite PCMs were prepared by adding the carbon materials at different mass fractions into MA. The experimental results indicated that both Gr and MWCNTs could enhance the thermal conductivity of MA. For the 3?wt% loading, the solid thermal conductivity of MA increased by 37.42% with Gr and 62.26% with MWCNTs. The FT-IR spectra showed that the reactions between carbon materials and MA were physical. The DSC results illustrated that the phase change latent heats of the composite PCMs decreased gradually with the additives increasing. Gr and MWCNTs strengthened the thermal stability of MA. The heat release rates of the composite PCMs accelerated. Three hundred thermal cycles of the chosen composite PCMs revealed that the prepared composite PCMs presented good thermal cycling stability.     

晶体相场法模拟纳米晶材料反霍尔-佩奇效应的微观变形机理

采用晶体相场模型模拟获得了平均晶粒尺寸从11.61–31.32 nm的纳米晶组织, 研究了单向拉伸过程纳米晶组织的强化规律的微观变形机理. 模拟结果表明: 晶粒转动、晶界迁移等晶间变形行为是纳米晶材料的主要微观变形方式, 纳米晶尺寸减小, 有利于晶粒转动, 使屈服强度降低, 显示出反霍尔-佩奇效应.当纳米晶较小时, 变形量超过屈服点达到4%, 位错运动开启, 其对变形的直接贡献有限, 主要通过改变晶界结构而影响变形行为, 位错运动破坏三叉晶界, 引发晶界弯曲, 促进晶界迁移. 随纳米晶增大, 晶粒转动困难, 出现晶界锯齿化并发射位错的现象. 关键词： 晶体相场 纳米晶 反霍尔-佩奇效应 微观变形     

Nanocrystalline versus microcrystalline Li(2)O:B(2)O3 composites: anomalous ionic conductivities and percolation theory

We study ionic transport in nano- and microcrystalline (1-x)Li(2)O:xB(2)O3 composites using standard impedance spectroscopy. In the nanocrystalline samples (average grain size of about 20 nm), the ionic conductivity sigma(dc) increases with increasing content x of B2O3 up to a maximum at x approximately 0.5. Above x approximately 0.92, sigma(dc) vanishes. By contrast, in the microcrystalline samples (grain size about 10 &mgr;m), sigma(dc) decreases monotonically with x and vanishes above x approximately 0. 55. We can explain this strikingly different behavior by a percolation model that assumes an enhanced conductivity at the interfaces between insulating and conducting phases in both materials and explicitly takes into account the different grain sizes.