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Structural stability, electronic, magnetic, elastic, thermal, thermoelectric and optical properties of L21 and xa phases of Ti2fege heusler compound: GGA and GGA+U methods Ti2fege-heusler化合物L21和xa相的结构稳定性、电子、磁性、弹性、热、热电和光学性质:GGA和GGA+U方法
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2023-01-02 DOI: 10.1080/15567265.2023.2167532
M. Y. Raïâ, R. Masrour, M. Hamedoun, J. Kharbach, A. Rezzouk, A. Hourmatallah, N. Benzakour, K. Bouslykhane
ABSTRACT Both L21 and XA type phases ordering of Ti2FeGe compound were investigated based on density functional theory. The structural, magnetic, band structure, density of states, possibility of martensitic transformation, elastic, thermoelectric and optical properties were studied. From the calculated total energy, we noted that L21 type in ferromagnetic state is more stable phase using GGA+U approach. The computed elastic constants of considered compound show that L21 type is ductile, anisotropic and mechanically stable, while the XA phase ordering of Ti2FeGe is not mechanically stable. The (DOS) and band structure of L21 type structure of Ti2FeGe alloy show metallic character in both spin up and spin down directions, while the XA type structure exhibits half-metallic character. Based on quasi-harmonic Debye model applied in the Gibbs program, the lattice vibrational, the bulk modulus, the Debye temperature, the heat capacity, the entropy, the coefficient of thermal expansion and the Grüneisen parameter have also been estimated. The thermoelectric properties of two phases are examined and discussed through consideration of transport coefficients. The optical properties are systematically studied by computing the optical parameters. The obtained results will bring perspective for designing theoretical predictions and experimental studies intended to serve as a reference for future studies on optoelectronic and spintronic applications.
基于密度泛函理论研究了Ti2FeGe化合物的L21型和XA型相的有序性。研究了材料的结构、磁性、能带结构、态密度、马氏体相变可能性、弹性、热电性和光学性能。从计算的总能量来看,采用GGA+U方法,我们发现铁磁态的L21型是更稳定的相。计算所得化合物的弹性常数表明,L21型具有延展性、各向异性和力学稳定性,而Ti2FeGe的XA相序不具有力学稳定性。Ti2FeGe合金的L21型结构(DOS)和能带结构在自旋向上和自旋向下两个方向上都表现出金属特征,而XA型结构则表现出半金属特征。基于Gibbs程序中应用的准调和Debye模型,估计了晶格振动、体模量、Debye温度、热容、熵、热膨胀系数和grgr neisen参数。通过考虑输运系数,考察和讨论了两相的热电性质。通过计算光学参数,系统地研究了其光学特性。所得结果将为设计理论预测和实验研究提供视角,为未来光电和自旋电子应用研究提供参考。
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引用次数: 9
Enhanced near-field thermal radiation between black phosphorus with high electron density by BP/hBN heterostructures BP/hBN异质结构增强高电子密度黑磷间的近场热辐射
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-11-28 DOI: 10.1080/15567265.2022.2151717
Hua-Dong Huang, Shi-quan Shan, Zhijun Zhou
ABSTRACT The black phosphorus (BP)/hexagonal boron nitride (hBN) Van der Waals heterostructure has great potential application in BP-based devices due to its higher stability than monolayer BP film. The near-field thermal radiation (NFTR) between two identical BP/hBN heterostructures with high electron density is studied to promote the application of BP-based devices. The BP/hBN heterostructures show a higher heat transfer coefficient (HTC) at a 10 nm gap distance compared to BP films with electron density n larger than 1 × 1013 cm−2, due to the coupling of surface plasmon polaritons (SPPs) and hyperbolic phonon polaritons (HPPs). Especially at n ≥ 3 × 1013 cm−2, the improvement is more than 100%. The SPPs and the HPPs couple into surface plasmon-phonon polaritons (SPPPs) out of the hyperbolic region and hyperbolic plasmon-phonon polaritons (HPPPs) inside. The SPPPs can achieve photon tunneling in the broader wavevector region than SPPs, making most of the contribution to heat transfer. The influences of the thickness of the hBN sheet and gap distance are also discussed. This scheme only effectively enhances NFTR for BP with high electron density at small nanogaps. After structural optimization, h = 2 nm is the optimal thickness for BP/hBN configuration with low electron density, such as n = 1 × 1013 cm−2. In contrast, large thickness h = 500 nm is optimal for BP with high electron density. At high electron density, a thick hBN sheet is prominent in enhancing the SPPPs in the frequencies below the type-I region and the HPPPs inside the type-II region. We further propose BP/hBN/BP heterostructures and find that HTC is further enhanced by 4.4% ~ 30.8% due to the more robust surface modes. Our work may contribute to developing BP-based near-field thermal devices and promote understanding the NFTR mechanism of BP/hBN heterostructure.
黑磷(BP)/六方氮化硼(hBN)范德华异质结构由于其比单层BP膜更高的稳定性,在基于BP的器件中具有巨大的应用潜力。研究了两种相同的高电子密度BP/hBN异质结构之间的近场热辐射(NFTR),以促进基于BP的器件的应用。与电子密度n大于1×1013cm−2的BP膜相比,由于表面等离子体激元(SPP)和双曲声子激元(HPP)的耦合,BP/hBN异质结构在10nm的间隙距离处显示出更高的传热系数(HTC)。特别是当n≥3×1013cm−2时,改善率超过100%。SPPs和HPPs在双曲区外耦合成表面等离子体-声子极性子(SPPs),在双曲区内耦合成双曲等离子体-声子极化子(HPPP)。SPPs可以在比SPPs更宽的波矢区域中实现光子隧穿,对热传递做出大部分贡献。还讨论了hBN片的厚度和间隙距离的影响。该方案仅有效地增强了在小纳米间隙具有高电子密度的BP的NFTR。经过结构优化后,对于低电子密度的BP/hBN构型,h=2nm是最佳厚度,例如n=1×1013cm−2。相反,对于具有高电子密度的BP,大厚度h=500nm是最佳的。在高电子密度下,厚hBN片在增强I型区以下频率的SPPP和II型区内的HPPP方面是突出的。我们进一步提出了BP/hBN/BP异质结构,并发现由于更稳健的表面模式,HTC进一步增强了4.4%~30.8%。我们的工作可能有助于开发基于BP的近场热器件,并促进对BP/hBN异质结构的NFTR机制的理解。
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引用次数: 1
Thermal Performance Testing of a Solar Water Heating System Using Core-Shell Structured Nanofluids 核壳结构纳米流体太阳能热水系统的热性能测试
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-10-02 DOI: 10.1080/15567265.2022.2146025
İbrahim Atmaca, Osman Samet Özdemir, A. Çağlar, Sezgi Koçak Soylu, M. Asiltürk
ABSTRACT This study investigates the impact of core-shell based nanofluids on the thermal performance of a solar water heating system by studying the changes in the useful heat gain and collector efficiency. This work would be the first to report the use of core-shell nanoparticles in solar water heating systems. The core-shell structure allows for dual improvements in thermal conductivity and better nanofluid stability, even without a surfactant. Therefore, three novel nanofluids were prepared by adding 2 wt% TiO2@SiO2, Fe3O4@SiO2, and ZnO@SiO2 core-shell nanoparticles to pure water to be used in the experiments. The experimental thermal performances of the nanofluids were individually compared with pure water by the simultaneous operation of two identical systems. The results showed that the nanofluids with Fe3O4@SiO2 and ZnO@SiO2 particles had better performance than the base fluid. In particular, 16.65% and 5.40% increase in the useful energy gain and a 17.12% and 7.39% increase in the collector efficiency were observed with Fe3O4@SiO2 and ZnO@SiO2 core-shell based nanofluids, respectively. It is possible to conclude that, with their improved performance, the Fe3O4@SiO2-based nanofluids have great potential to be used in solar hot water systems instead of water.
摘要本研究通过研究有效热增益和收集器效率的变化,研究了核壳基纳米流体对太阳能热水系统热性能的影响。这项工作将是第一次报道核壳纳米颗粒在太阳能热水系统中的应用。核壳结构允许热导率的双重提高和更好的纳米流体稳定性,即使没有表面活性剂。因此,通过添加2wt%,制备了三种新型纳米流体TiO2@SiO2,Fe3O4@SiO2和ZnO@SiO2核-壳纳米颗粒到纯水中,以在实验中使用。通过同时操作两个相同的系统,分别将纳米流体的实验热性能与纯水进行了比较。结果表明,具有Fe3O4@SiO2和ZnO@SiO2颗粒具有比基础流体更好的性能。特别是,观察到有用能量增益分别增加了16.65%和5.40%,收集器效率分别增加了17.12%和7.39%Fe3O4@SiO2和ZnO@SiO2基于核壳的纳米流体。可以得出这样的结论:随着性能的提高Fe3O4@SiO2-based纳米流体在太阳能热水系统中代替水具有巨大的应用潜力。
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引用次数: 1
Gold nanoparticles as radiosensitizer for radiotherapy and diagnosis of COVID-19: A review 金纳米颗粒作为新冠肺炎放射治疗和诊断的放射增敏剂:综述
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-10-02 DOI: 10.1080/15567265.2022.2138803
Abdul Khaliq Mokhtar, N. Mohd Hidzir, F. Mohamed, I. Abdul Rahman, S. Mohd Fadzil, Afifah Mardhiah Mohamed Radzi, N. A. Mohd Radzali
ABSTRACT Radiotherapy is an established therapy in cancer treatments that uses energy deposition directly into tumor tissue. With the introduction of radiosensitizers, invasive surgical and chemotherapy techniques can be avoided. Radiosensitizers with a high-Z base such as gold nanoparticles (AuNPs) are promising candidates for catalyzing tumor injury and simultaneously enabling tracking to be done inside the organ via a computed tomography scan or other diagnostic imaging. It has been documented that AuNP possess biocompatibility characteristics as well as nontoxic properties depending on the size of the application and the applied coating. Radiosensitizers can increase tumor targeting, thus providing more specific destruction than conventional techniques while minimizing damage to surrounding healthy tissues. This review focuses on the special properties of AuNP in assisting radiotherapy as a radiosensitizing agent. Important parameters for AuNP’s optimization are listed to offer general guidelines for which the specifications of AuNP should be directed. In addition, the mechanism of AuNP radiosensitization in physical, chemical, and biological phases is discussed. A list of in vitro and in vivo testing and current clinical trials of AuNP are presented in sequence. Finally, the utilization of AuNP for diagnosing and combating the COVID-19 pandemic is discussed for future outbreak surveillance and intervention.
放射治疗是一种利用能量直接沉积到肿瘤组织中的癌症治疗方法。随着放射增敏剂的引入,可以避免侵入性手术和化疗技术。具有高z碱基的放射增敏剂,如金纳米颗粒(AuNPs),是催化肿瘤损伤的有希望的候选者,同时可以通过计算机断层扫描或其他诊断成像在器官内进行跟踪。已有文献表明,AuNP具有生物相容性特征以及无毒特性,这取决于应用的大小和应用的涂层。放射增敏剂可以增加肿瘤的靶向性,从而提供比传统技术更具体的破坏,同时最大限度地减少对周围健康组织的损害。本文综述了AuNP作为放射增敏剂在辅助放射治疗中的特殊性能。列出了AuNP优化的重要参数,以提供指导AuNP规范的一般指导方针。此外,还讨论了AuNP在物理、化学和生物三个阶段的放射致敏机制。在体外和体内测试的清单和目前的临床试验的AuNP提出了顺序。最后,讨论了利用AuNP诊断和抗击COVID-19大流行,为未来的疫情监测和干预提供依据。
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引用次数: 0
Investigation on Flow Through Staggered Micro Pin Fin Arrays with Variable Longitudinal Spacings Using Micro-PIV 用微piv研究变纵向间距交错微针鳍阵列的流动
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-09-21 DOI: 10.1080/15567265.2022.2122911
Mingming Lv, Zhigang Liu, Wen-fei Chi, Chao Ma, Lian Duan
ABSTRACT In this study, the flow behavior of deionized water through the staggered circular micro pin fin arrays with three longitudinal spacings (S L = 2D, 3D and 4D) is investigated using flow visualization technology of micro particle image velocimetry (micro-PIV) in the range of Re = 100–800. The streamline distribution and velocity field in the three micro pin fin arrays are obtained. Experimental results indicate that the longitudinal spacing has considerable effect on both the extension of the wake region and velocity field around pin fins. The small longitudinal spacing hinders the extension of the wake region behind the pin fin and delays the vortex shedding. The micro pin fin array with S L = 2D provides maximum velocity span and transverse velocity, indicating intense local fluid mixing. The flow and heat transfer characteristics in the microchannel with a single circular micro pin fin are also studied. By comparison, the feature of the wake region in the micro pin fin array with a large longitudinal spacing is similar to that in the flow past a single micro pin fin. Moreover, vortex shedding occurs in the micro pin fin array at higher Reynolds number. The correlation between velocity field and temperature field around the pin fin is investigated. The belt zone with enhanced heat transfer around the pin fin is consistent with the distribution of fluid with high velocities. Vortex shedding can obviously enhance the heat transfer downstream of the micro pin fin.
摘要在本研究中,利用微粒子图像测速仪(micro-PIV)的流动可视化技术,在Re=100–800范围内研究了去离子水通过三个纵向间距(SL=2D、3D和4D)的交错圆形微针鳍阵列的流动行为。得到了三个微针鳍阵列的流线分布和速度场。实验结果表明,纵向间距对尾流区域的扩展和翅片周围的速度场都有相当大的影响。较小的纵向间距阻碍了尾流区域在销翅后面的延伸,并延迟了涡流的脱落。S L=2D的微针鳍阵列提供了最大的速度跨度和横向速度,表明强烈的局部流体混合。还研究了具有单个圆形微针鳍的微通道中的流动和传热特性。相比之下,具有大纵向间距的微针鳍阵列中的尾流区域的特征与经过单个微针鳍的流动中的尾波区域的特征相似。此外,在雷诺数较高的情况下,微针鳍阵列中会出现涡流脱落。研究了针翅周围的速度场和温度场之间的关系。针翅周围传热增强的带区与高速流体的分布一致。旋涡脱落可以明显增强微针翅片下游的传热。
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引用次数: 1
Through Plane Networked Graphene Oxide/Polyester Hybrid Thermal Interface Material for Heat Management Applications 通过平面网络氧化石墨烯/聚酯杂化热界面材料热管理应用
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-09-20 DOI: 10.1080/15567265.2022.2125857
Junaid Khan, M. Jaafar
ABSTRACT The role of electronic devices in our lives is increasing rapidly, with more research focusing on miniaturization, creating more demand for thermal interface materials (TIM). Grease-based TIM presently available have good thermal conductivity values, but issues such as contamination, pump-out, and an additional curing step are observed. Fibrous textile substrates are soft and flexible, making them suitable for occupying the asperities between the heat sink and heat-producing devices. However, they are insulating in nature and can be made conductive using conductive fillers such as graphene oxide (GO). In this article, a networked through-plane thermally conductive TIM using the cutting waste of polyester and GO was fabricated. The methodology involved functionalizing the PET substrate and studying its interaction with GO. A networked GO/PET, (N-GOPET) hybrid TIM was fabricated from waste PET with good through-plane heat conduction performance, softness, and cuttability as a promising replacement for grease-based TIM.
电子器件在我们生活中的作用正在迅速增加,越来越多的研究关注于小型化,对热界面材料(TIM)产生了更多的需求。目前可用的润滑脂基TIM具有良好的导热性值,但存在污染、泵出和额外固化步骤等问题。纤维织物基材柔软且有弹性,使其适合于占据散热器和产热装置之间的凸起。然而,它们本质上是绝缘的,可以使用导电填料(如氧化石墨烯(GO))使其导电。本文利用聚酯和氧化石墨烯的切削废渣制备了网络化的通平面导热TIM。方法包括功能化PET衬底并研究其与氧化石墨烯的相互作用。以废PET为原料制备了一种网络化的GO/PET (N-GOPET)杂化TIM,具有良好的通平面导热性能、柔软性和可切削性,有望成为润滑脂基TIM的替代品。
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引用次数: 2
Heat transfer enhancement by pulsating flow of a viscoelastic fluid in a microchannel with a rib plate 粘弹性流体在带肋板的微通道中脉动流动增强传热
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-07-03 DOI: 10.1080/15567265.2022.2093297
Hao Wu, C. Li, Jie Li
ABSTRACT In order to improve the heat transfer performance of the microchannel heat exchanger, a composite heat transfer enhancement method was proposed. Viscoelastic fluid was used as working fluid in pulsating flow condition, and rib plates were added to the microchannel to bring extra disturbance to the flow. The Oldroyd-B constitutive model of the viscoelastic fluid was used in the numerical simulation, and the flow field, temperature field, Nusselt number (Nu), and pressure drop were analyzed when the average Reynolds number (Re) is 10. Both Strouhal number (St) and amplitude are important factors affecting heat transfer, but they have an insignificant influence on pressure drop at low Reynolds number. The St = 0.125 and amplitude A = 0.8 are better parameters. The increase of Weissenberg number (Wi) will cause the vortex to split into several subsidiary vortexes during its development, which will also develop to various positions in the channel, thus further enhancing the heat transfer. When the Wi is in the range of 1 ~ 5, the performance evaluation criteria rises at a relatively fast rate, from 1 to 1.404.
摘要为了提高微通道换热器的传热性能,提出了一种复合传热强化方法。在脉动流动条件下,采用粘弹性流体作为工作流体,在微通道中加入肋板,对流动产生额外的扰动。数值模拟采用粘弹性流体的Oldroyd-B本构模型,分析了平均雷诺数(Re)为10时的流场、温度场、努塞尔数(Nu)和压降。斯特劳哈尔数(St)和振幅都是影响传热的重要因素,但它们对低雷诺数下的压降影响不大。St=0.125和振幅A=0.8是更好的参数。Weissenberg数(Wi)的增加会使涡流在发展过程中分裂成几个辅助涡流,这些辅助涡流也会发展到通道中的各个位置,从而进一步增强传热。当Wi在1~5的范围内时,性能评估标准以相对较快的速度上升,从1上升到1.404。
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引用次数: 1
A parametric study of subcooled flow boiling of Al2O3/water nanofluid using numerical simulation and artificial neural networks 基于数值模拟和人工神经网络的Al2O3/水纳米流体过冷流动沸腾参数化研究
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-07-03 DOI: 10.1080/15567265.2022.2108949
H. Alimoradi, Erfan Eskandari, Mahdi Pourbagian, M. Shams
ABSTRACT Utilizing an Euler-mixture three-dimensional numerical simulation for Al2O3/water nanofluid subcooled flow boiling in a mini channel, we study the effects of pressure, heat flux, nanoparticle concentration, surface roughness, and subcooled temperature on heat transfer quantities (average and local heat transfer coefficient, average and local vapor volume fraction, and average and local wall temperature) and bubble dynamics quantities (bubble departure diameter, bubble detachment frequency, bubble detachment waiting time, and nucleation site density). The numerical results demonstrate that the nanoparticles particularly impact the bubble dynamics significantly by increasing wettability and decreasing contact angle. In order to reduce the computational burden of such an expensive multiphase flow simulation, we also present a machine learning approach based on artificial neural networks (ANN). The numerical experiments show that using the ANN model, we can achieve highly accurate results with much less computational time and resources.
摘要利用Euler混合三维数值模拟Al2O3/水纳米流体在微通道中过冷沸腾,研究了压力、热通量、纳米颗粒浓度、表面粗糙度,以及过冷温度对传热量(平均和局部传热系数、平均和局部蒸汽体积分数以及平均和局部壁温)和气泡动力学量(气泡离开直径、气泡脱离频率、气泡脱离等待时间和成核位置密度)的影响。数值结果表明,纳米颗粒通过增加润湿性和减小接触角,对气泡动力学产生了特别显著的影响。为了减少这种昂贵的多相流模拟的计算负担,我们还提出了一种基于人工神经网络(ANN)的机器学习方法。数值实验表明,使用人工神经网络模型,我们可以用更少的计算时间和资源获得高精度的结果。
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引用次数: 16
Editorial for Issue 2/3 by Pamela M. Norris, Editor-in-Chief 主编帕梅拉·m·诺里斯为第2/3期撰写的社论
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-07-03 DOI: 10.1080/15567265.2022.2121120
P. Norris, C. Tien, D. Cahill, G. Celata, Hsin-Chen Chu, J. Greffet, Jong Sik Lee, Y. Peles, R. Prasher, Evelyn Wang, Gang Chen, K. Goodson, A. Majumdar, S. Maruyama, D. Donadio, Bong Jae Lee, Deyu Li, J. Lukes, N. Miljkovic, J. Shiomi, Y. Won, Ronggui Yang
What exciting times we are living in! Our ability to measure, model, predict, and influence the thermophysical properties of materials at the microand nanoscale is now enabling exciting new advances with potential positive impacts in many important areas such energy, environment, information, medicine, and transportation. This journal, which was begun in 1997 by my post-doctoral advisor, Chang-Lin Tien, under the title “Microscale Thermophysical Engineering” was established at the very beginning of the nanotechnology revolution and it has always been a forum for thought leadership.
我们生活在多么激动人心的时代啊!我们在微尺度和纳米尺度上测量、建模、预测和影响材料热物理性质的能力,正在推动令人兴奋的新进展,在能源、环境、信息、医学和交通等许多重要领域产生潜在的积极影响。这本期刊由我的博士后导师张林田于1997年创办,标题为“微尺度热物理工程”,创办于纳米技术革命之初,一直是思想领袖的论坛。
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引用次数: 0
Experimental study on heat transfer enhancement of carboxylate multi-wall carbon nanotubes in a 3D pulsating heat pipe with a corrugated evaporator 波纹蒸发器三维脉动热管中羧酸盐多壁碳纳米管强化传热的实验研究
IF 4.1 3区 工程技术 Q2 ENGINEERING, MECHANICAL Pub Date : 2022-05-17 DOI: 10.1080/15567265.2022.2072790
Ali Reza Alizadeh Jajarm, H. Goshayeshi, K. Bashirnezhad
ABSTRACT In this research, the thermal performance of a three-dimensional pulsating heat pipe with 11 turns is investigated experimentally. Carboxyl-functionalized multi-walled carbon nanotubes with 0.1 wt% in a water-based fluid are used as the operating fluid. Experiments are performed at 50% and 60% filling ratios, and the effect of grooving the evaporator tubes has also been investigated. Experiments with distilled water were also performed to compare the effect of the nanofluid. Experimental results show that the heat transfer performance of the device depends mainly on the power input and the filling ratio, working fluid, and also, the corrugated evaporator that significantly improves the thermal performance. The use of nanofluids reduces the thermal resistance by about 13% compared to pure water at a filling ratio of 50%, and an input power of 300 watts. At a filling ratio of 60%, and the use of nanofluid, corrugating the evaporator reduces the thermal resistance by 6% in comparison with non-corrugated tubes. In general, and in all cases, with increasing input power, the thermal resistance also decreases.
本文对11匝三维脉动热管的热性能进行了实验研究。羧基功能化的多壁碳纳米管在水基流体中含有0.1 wt%作为操作流体。在填充率为50%和60%的情况下进行了实验,并研究了开槽对蒸发器管的影响。用蒸馏水进行了实验,比较了纳米流体的效果。实验结果表明,该装置的传热性能主要取决于功率输入和填充比、工作流体以及显著改善传热性能的波纹蒸发器。在填充率为50%、输入功率为300瓦的情况下,与纯水相比,纳米流体的使用减少了约13%的热阻。在填充率为60%的情况下,使用纳米流体,与非波纹管相比,波纹管蒸发器的热阻降低了6%。一般来说,在所有情况下,随着输入功率的增加,热阻也会减小。
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引用次数: 2
期刊
Nanoscale and Microscale Thermophysical Engineering
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