共查询到19条相似文献，搜索用时 234 毫秒
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采用分子动力学方法对金属和非金属材料薄膜的导热系数进行数值模拟.非金属材料氩的粒子间相互作用势采用12/6 L-J势能模型,金属材料钨使用MEAM势能模型.模拟结果表明,非金属材料氩的导热系数与已有实验结果符合较好,但金属材料钨的导热系数结果较实验结果小1～2个数量级.研究结果表明,引入自由电子导热模型能较准确预测金属材料钨的导热系数变化规律. 相似文献
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有限长度的单层碳纳米管的导热系数是采用非平衡分子动力学模拟(NEMD)进行研究的,本文对导热系数与温度和直径的关系进行了研究。在这项工作中,我们研究了长度为24.5nm的具有不同直径-(6,6),(7,7),(8,8),(10,10),(15,15)的碳纳米管在温度范围为200-700K内的导热系数。值得注意的是单层碳纳米管的热导率在200-700K的温度范围内随着温度升高而降低,而且降低地越来越平缓。与小管径的单层碳纳米管不同,具有更大管径的单层碳纳米管具有更高的热导率。 相似文献
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介绍了国外分子动力学在纳米切削加工研究方面的进展，阐述了纳米
切削
加工分子动力学模拟的基本原理、分子运动方程的建立和求解算法，分子间作用力、温度的
计算以及周期边界条件、宏观特性统计和控制技术等。最后列举了一些在纳米切削加工中应
用分子动力学模拟的实例。 相似文献
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冻土导热系数表征了冻土体传导热量的能力,冻土结构不同,导热系数不同。冻土由于其结构的特殊性,温度上升过程中内部结构时刻发生变化,从而导热系数时刻变化着。本文利用一种新型室内实验测试方法,研究了冻土导热系数的快速测试技术,并通过改良稳态法,研究了温度上升过程中导热系数的变化规律,所得导热系数变化曲线同工程实践经验相符。 相似文献
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采用单辊熔体急冷法制备了非晶Fe39.4-xCo40Si9B9Nb2.6Cux合金薄带,在不同温度退火后得到双相纳米晶合金。研究了纳米晶合金的静态磁性随退火温度的变化,结果表明490℃退火后可以得到最优的静态性能;研究了Cu含量对合金性能的影响,结果表明随Cu含量的增加,纳米晶合金晶粒尺寸得到有效细化,使得其静态磁性更加优良。 相似文献
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本文采用有限元方法对金刚石/铜复合材料的传热性进行数值模拟,建立多颗粒二维随机分布复合材料测试模型,研究金刚石颗粒体积分数、颗粒半径、颗粒形貌、粒径比及界面因素对金刚石/铜复合材料传热性能的影响规律及机制。结果表明:金刚石/铜复合材料的热导率随着金刚石体积分数的增大而升高;热导率随着粒径的增大而呈现先升高后降低的规律;方形金刚石颗粒的复合材料热导率高于球形颗粒的复合材料;在金刚石体积分数一定时,适量配比细颗粒可提高材料热导率;对金刚石表面镀覆层新物质(W、Cr、Ti)来等效金刚石和铜二者物理结合时的界面热阻。 相似文献
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The thermal conductivity of two-dimensional materials, such as graphene, typically decreases when tensile strain is applied, which softens their phonon modes. Here, we report an anomalous strain effect on the thermal conductivity of monolayer silicene, a representative low-buckled two-dimensional (LB-2D) material. ReaxFF-based molecular dynamics simulations are performed to show that biaxially stretched monolayer silicene exhibits a remarkable increase in thermal conductivity, by as much as 10 times the freestanding value, with increasing applied strain in the range of [0, 0.1], which is attributed to increased contributions from long-wavelength phonons. A further increase in strain in the range of [0.11, 0.18] results in a plateau of the thermal conductivity in an oscillatory manner, governed by a unique dynamic bonding behavior under extreme loading. This anomalous effect reveals new physical insights into the thermal properties of LB-2D materials and may provide some guidelines for designing heat management and energy conversion devices based on such materials. 相似文献
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二氧化铀是一种稳定的陶瓷燃料,它具有熔点高和物理化学性质稳定的特性,作为核燃料二氧化铀的导热性能将直接影响核燃料芯块内的温度分布和芯块中心的最高温度,分析比较了二氧化铀热导率的实验研究结果和关联式,发现已有实验结果间的差异已经缩小.通过开展非平衡分子动力学模拟分析表明,二氧化铀热导率在中温区模拟较为准确可靠.在低温区时,需对能量输运粒子的动能计算进行量子修正;在高温区,需建立声子能量输运模型、电子气能量输运模型和光子辐射部分的能量输运模型,进一步建立二氧化铀的热导率计算程序. 相似文献
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Hasan Ebrahimi Shahmabadi Seyed Kazem Bagherpour Doun Seyed Ebrahim Alavi Mehri Mortazavi Zahra Saffari Maryam Farahnak Azim Akbarzadeh 《Indian journal of clinical biochemistry : IJCB》2014,29(3):357-361
Emulsion polymerization was used to synthesize poly butyl cyanoacrylate nanoparticles in presence of steric stabilizer dextran 70. Nanoparticles were characterized by particle size analysis, scanning electron microscopy and light microscopy. Polymerization factors affecting particle size and distribution such as dextran 70, polysorbate 80 (PS 80) and H+ concentration, polymerization time and temperature, and sonication were studied. Distinct concentrations of stabilizer were needed to produce proper nanoparticles. In this case, the appropriate value was 2 % of total volume. At pH 4 significant decrease in production efficiency demonstrated the substantial effect of H+ concentration on nanoparticles. Furthermore significant increases in particle size and distribution was observed at 50 °C compared to room temperature. 0.001 % (v/v) PS 80 represented notable influence on size and distribution. In addition, shaped nanoparticles were obtained by altering polymerization time from 5.5 h to 18 h. Finally, nanoparticle features were influenced by different factors. Appropriate manipulating of such factors can lead to obtaining desirable nanoparticles. 相似文献
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G.M.L. Sommerman 《Journal of The Franklin Institute》1935,219(4):433-458
The presence of maxima in the power factor-frequency and power factor-temperature curves of dielectrics has been explained by the Maxwell inhomogeneity theory and the Debye theory of polar molecular orientation. In order to ascertain the true cause of these maxima, a study has been made of the power factor of an essentially non-polar material with and without polar materials in dilute solution over extended ranges of frequency, 65 to 7.2 × 106 c.p.s., and temperature, 2.9° C. to 90° C.The non-polar solvent is a mixture of paraffins having a pour point at 55° C. Small power factor maxima, 0.0003 in value, shifting over the audio frequency range with temperature variation, are observed for this solvent alone. Adding 3 per cent. phenol gives rise to molecular orientation maxima restricted largely to frequencies above 107 c.p.s. At the lower temperatures, these maxima are greatly broadened, so that there is apparently a small contribution at power frequencies. Adding 10 per cent. stearic acid gives similar results. The failure of these maxima to shift to lower frequencies at the lower temperatures is due to the failure of the inner viscosity to increase very much in the solid state. The variation of the inner viscosity is calculated from the reciprocals of the short time conductivities since the degree of ionic dissociation is found to be essentially independent of temperature. The viscosity may be regarded as a function of particle size and varies within the medium. Where power factor maxima shift with essentially undiminished magnitude over a wide frequency range at ordinary temperatures, such as those observed here in the solvent above, it is believed that the cause is the orientation of associated or polymerized polar aggregates of such size as to be affected by the larger viscosity changes approaching the macroscopic.In the solid and amorphous states, the limited motion of ions leads to an ionic polarization as indicated by absorption curves of relatively large time constants and by high power factors in the low frequency range. The addition of organic acids greatly increases these effects and also increases the final conductivity. The true short time conductivity is largely caused by almost completely dissociated inorganic material. 相似文献
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A basic understanding of the transport mechanisms of nanostructures in a polymer brush-modified nanochannel as well as the brush-nanostructure interactions at molecular level is important to design and fabricate emerging smart nano/microfluidic channels. In this work, we report coarse-grained molecular dynamics simulations of the translocation of nanoparticles through a cylindrical nanochannel coated with the polymer brush. The effects of the interparticle interaction and grafting density on the distribution and electrokinetic transport of nanoparticles are addressed in detail. Analysis of the distribution and velocity profiles of nanoparticles from the simulations indicate that the location of nanoparticles along the radial direction and their migration velocity are very sensitive to the change of interparticle interaction. We find complicated transport dynamics of nanoparticles under the influence of various grafting densities. The nanoparticles show markedly different translocation behavior upon increasing the grafting density, which depends on the counterion distribution, free room within the brush, nanoparticle-polymer friction, and brush configuration. Our results may serve as a useful starting point for the transport of nanostructures in polymer-modified channels and help to guide the design of novel smart nanofluidic channels for controlling the migration behavior of nanostructures. 相似文献
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学者不断探讨政治关联在中国新兴市场中的价值,然而研究结论并不一致。基于嵌入观和情景理论,本文探讨私营企业家政治关联对企业研发投资的作用,以及企业家经济地位和企业规模对该作用的调节效应。基于2004年、2006年、2008年三轮全国私营企业调查形成的混合截面数据,运用Tobit回归模型,实证研究得出企业家政治关联对企业研发投资影响是倒U型作用;且企业家经济地位、企业规模均会削弱该倒U型作用。本文拓展了新兴市场中的政治关联理论以及其战略价值的研究,且研究结论对于中国企业的创新投资有实践指导价值。 相似文献
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Qing-Fang Guan Zi-Meng Han Tong-Tong Luo Huai-Bin Yang Hai-Wei Liang Si-Ming Chen Guang-Sheng Wang Shu-Hong Yu 《国家科学评论(英文版)》2019,6(1):64
Although a variety of nanoparticles with better-than-bulk material performances can be synthesized, it remains a challenge to scale the extraordinary properties of individual nanoscale units to the macroscopic level for bulk nanostructured materials. Here, we report a general and scalable biosynthesis strategy that involves simultaneous growth of cellulose nanofibrils through microbial fermentation and co-deposition of various kinds of nanoscale building blocks (NBBs) through aerosol feeding on solid culture substrates. We employ this biosynthesis strategy to assemble a wide range of NBBs into cellulose nanofibril-based bulk nanocomposites. In particular, the biosynthesized carbon nanotubes/bacterial cellulose nanocomposites that consist of integrated 3D cellulose nanofibril networks simultaneously achieve an extremely high mechanical strength and electrical conductivity, and thus exhibit outstanding performance as high-strength lightweight electromagnetic interference shielding materials. The biosynthesis approach represents a general and efficient strategy for large-scale production of functional bulk nanocomposites with enhanced performances for practical applications. Industrial-scale production of these bulk nanocomposite materials for practical applications can be expected in the near future. 相似文献
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通过对高分子链构象的完全计数，研究了聚乙烯链的塌缩相变现象．聚乙烯链在金钢石格点上生成，计算中考虑了聚乙烯链的近程相互作用和远程相互作用．结果表明，聚乙烯链在温度下降时，会发生从高温下的伸展状态到低温下的紧缩状态的塌缩现象．对有限长的聚乙烯链，塌缩与链长和吸引势的强度有关，链越长，吸引势越大，塌缩发生的温度就越高，而且我们还发现，聚乙烯链的塌缩相变是一级相变 相似文献
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Chu-Feng Liu Weng-Hang Leong Kangwei Xia Xi Feng Amit Finkler Andrej Denisenko Jrg Wrachtrup Quan Li Ren-Bao Liu 《国家科学评论(英文版)》2021,8(5)
Nitrogen-vacancy (NV) centers in diamond are promising quantum sensors because of their long spin coherence time under ambient conditions. However, their spin resonances are relatively insensitive to non-magnetic parameters such as temperature. A magnetic-nanoparticle-nanodiamond hybrid thermometer, where the temperature change is converted to the magnetic field variation near the Curie temperature, were demonstrated to have enhanced temperature sensitivity () (Wang N, Liu G-Q and Leong W-H et al. Phys Rev X 2018; 8: 011042), but the sensitivity was limited by the large spectral broadening of ensemble spins in nanodiamonds. To overcome this limitation, here we show an improved design of a hybrid nanothermometer using a single NV center in a diamond nanopillar coupled with a single magnetic nanoparticle of copper-nickel alloy, and demonstrate a temperature sensitivity of . This hybrid design enables detection of 2 mK temperature changes with temporal resolution of 5 ms. The ultra-sensitive nanothermometer offers a new tool to investigate thermal processes in nanoscale systems. 相似文献