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完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.advisor | 黃美嬌(Mei-Jiau Huang) | |
dc.contributor.author | Hao-Bo Huang | en |
dc.contributor.author | 黃浩柏 | zh_TW |
dc.date.accessioned | 2021-06-17T06:59:19Z | - |
dc.date.available | 2024-08-12 | |
dc.date.copyright | 2019-08-12 | |
dc.date.issued | 2019 | |
dc.date.submitted | 2019-08-05 | |
dc.identifier.citation | [1]H. J. Goldsmid,” Introduction to thermoelectricity”, 1 ed, Springer, 2010
[2]D. D. Pollock,” A-2 Thermoelectric phenomena”, CRC Handbook of Thermoelectrics, CRC Press LLC, 1995 [3]H. J. Goldsmid and R. W. Douglas,” The use of semiconductors in thermoelectric refrigeration”, British Journal of Applied Physics, vol.5, pp.386-390, 1954 [4]A. PolozineI, S. Sirotinskaya and L. Schaeffer,” History of development of thermoelectric materials for electric power generation and criteria of their quality”, Materials Research, vol.17, pp.1260-1267, 2014 [5]P. Chasmar and R. Stratton,” The thermoelectric figure of merit and its relation to thermoelectric generators”, International journal of electronics, vol.7, pp.52-72, 1959 [6]G. Chen, M. S. Dresselhaus, G. Dresselhaus, J. P. Fleurial and T. Caillat,” Recent developments in thermoelectric materials”, International Materials Reviews, vol.48, pp.45-66, 2003 [7]J. M. Ziman,” Electrons and Phonons”, Oxford University Press, 1960 [8]A. Majumdar,” Microscale heat conduction in dielectric thin films”, Journal of Heat Transfer, vol.115, pp.7-16, 1993 [9]R. B. Peterson,” Direct Simulation of Phonon-Mediated Heat Transfer in a Debye Crystal”, Journal of Heat Transfer, vol.116, pp.815-822, 1993 [10]M. S. Jeng, R. Yang, D. Song and G. Chen,” Modeling the Thermal Conductivity and Phonon Transport in Nanoparticle Composites Using Monte Carlo Simulation”, Journal of Heat Transfer, vol.130, pp.042410(11), 2007 [11]蔡東峻,” 奈米複合材料聲子傳輸現象蒙地卡羅模擬法之研發”, 碩士, 國立臺灣大學機械工程學研究所學位論文, 臺灣大學, 2009 [12]G. Chen,” Thermal conductivity and ballistic-phonon transport in the cross-plane direction of superlattices”, Physical Review B, vol.57, pp.14958-14973, 1998 [13]莊璧躍,” 不規則奈米顆粒複合物熱傳導性質研究”, 碩士, 國立臺灣大學機械工程學研究所學位論文, 臺灣大學, 2012 [14]S. Mazumder and A. Majumdar,” Monte Carlo study of phonon transport in solid thin films including dispersion and polarization”, Journal of Heat Transfer, vol.123, pp.749-759, 2001 [15]M. Asheghi,” Thermal Transport Properties of Silicon Films”, Thesis in Mechanical Engineering, Stanford University, 2000 [16]Q. Hao and G. Chen,” Frequency-Dependent Monte Carlo Simulations of Phonon Transport in Nanostructures”, Applications of Monte Carlo Method in Science and Engineering, Ed:Prof. Shaul Mordechai, InTech, 2011 [17]Q. Hao, G. Chen and M. S. Jeng,” Frequency-dependent Monte Carlo simulations of phonon transport in two-dimensional porous silicon with aligned pores”, Journal of Applied Physics, vol.106, pp.114321(10), 2009 [18]D. Song” Thermal conductivity of periodic microporous silicon films”, Applied Physics Letters, vol.84, pp.687-689, 2004 [19]蘇冠中,” 全頻蒙地卡羅材料熱傳模擬工具之開發與平行化”, 碩士, 國立臺灣大學機械工程學研究所學位論文, 臺灣大學, 2016 [20]J. P. M. Peraud, C. D. Landon and N. G. Hadjiconstantinou,” Monte Carlo Methods for solving the Boltzmann Transport equation”, Annual Review of Heat Transfer, vol.17, pp.205-265, 2014 [21]J. P. M. Péraud and N. G. Hadjiconstantinou,” An alternative approach to efficient simulation of micro/nanoscale phonon transport”, Applied Physics Letters, vol.101, pp.153114(4), 2012 [22]J. P. M. Peraud and N. G. Hadjiconstantinou,” Adjoint-based deviational Monte Carlo methods for phonon transport calculations”, Physical Review B, vol.91, pp.235321(19), 2015 [23]J. P. M. Péraud and N. G. Hadjiconstantinou,” Efficient simulation of multidimensional phonon transport using energy-based variance-reduced Monte Carlo formulations”, Physical Review B, vol.84, pp.205331(15), 2011 [24]L. Ma, R. Mei, M. Liu, X. Zhao, Q. Wu and H. Sun,” Monte Carlo study of temperature-dependent non-diffusive thermal transport in Si nanowires “, Applied Thermal Engineering, vol.124, pp.17-21, 2017 [25]L. Ma, R. Mei, X. Zhao and H. Sun,” Monte Carlo simulation of single-crystalline PbSe nanowire thermal conductivity using first-principle phonon properties”, Semiconductor Science and Technology, vol.32, pp.095008(7), 2017 [26]R. Wu, R. Hu and X. Luo,” First-principle-based full-dispersion Monte Carlo simulation of the anisotropic phonon transport in the wurtzite GaN thin film”, Journal of Applied Physics, vol.119, pp.145706(9), 2016 [27]C. Hua and A. J. Minnich,” Importance of frequency-dependent grain boundary scattering in nanocrystalline silicon and silicon–germanium thermoelectrics”, Semiconductor Science and Technology, vol.29, pp.124004(8), 2014 [28]L. Yang and A. J. Minnich,” Thermal transport in nanocrystalline Si and SiGe by ab initio based Monte Carlo simulation”, Scientific Reports, vol.7, pp.44254, 2017 [29]C. Hua, X. Chen, N. K. Ravichandran and A. J. Minnich,” Fresnel transmission coefficients for thermal phonons at solid interfaces”, arXiv:1509.07806[cond-mat.mes-hall], 2015 [30]X. Ran, Y. Guo and M. Wang,” Interfacial phonon transport with frequency-dependent transmissivity by Monte Carlo simulation”, International Journal of Heat and Mass Transfer, vol.123, pp.616-628, 2018 [31]X. Ran and M. Wang,” Manipulation of effective thermal conductivity of multilayer thin film by varying thickness ratio of layers using Monte Carlo simulation“, Physics Letters A, vol.383, pp.58-62, 2019 [32]X. Ran, Y. Guo, Z. Hu and M. Wang,” Interfacial Phonon Transport Through Si/Ge Multilayer Film Using Monte Carlo Scheme With Spectral Transmissivity”, Energy Research, vol.6, pp.28(9), 2018 [33]Q. Li and W. Ye,” An interfering Monte Carlo method for partially coherent phonon transport in superlattices”, International Journal of Heat and Mass Transfer, vol.107, pp.534-543, 2017 [34]J. Yu, Q. Li and W. Ye,” Investigation of wave interference effect in Si/Ge superlattices with interfering Monte Carlo method”, International Journal of Heat and Mass Transfer, vol.128, pp.270-278, 2019 [35]M. G. Holland,” Analysis of Lattice Thermal Conductivity”, Physical Review, vol.132, pp.2461-2471, 1963 [36]P. G. Klemens,” Thermal Conductivity and Lattice Vibrational Modes”, Solid State Physics, vol.7, pp.l-98, 1958 [37]http://www.ioffe.ru/SVA/NSM/Semicond/ [38]H. B. G. Casimir,” Note on the conduction of heat in crystals”, Physica, vol.5, pp.495-500, 1938 [39]V. Di Stefano,” Free-flight time generation in Direct Simulation Monte Carlo for carrier transport in semiconductors”, Communications to SIMAI Congress, vol.3, pp.223(12), 2009 [40]E. Chavez-´Angel, J. S. Reparaz, J. Gomis-Bresco, M. R. Wagner, J. Cuffe, B. Graczykowski, A. Shchepetov, H. Jiang, M. Prunnila, J. Ahopelto, F. Alzina and C. M. Sotomayor Torres,” Reduction of the thermal conductivity in free-standing silicon nano-membranes investigated by non-invasive Raman thermometry”, APL Materials, vol.2, pp.012113(6), 2014 [41]J. Cuffe, J. K. Eliason, A. A. Maznev, K. C. Collins, J. A. Johnson, A. Shchepetov, M. Prunnila, J. Ahopelto, C. M. Sotomayor Torres, G. Chen, and K. A. Nelson,” Reconstructing phonon mean-free-path contributions to thermal conductivity using nanoscale membranes”, Physical Review B, vol.91, pp.245423(6), 2015 [42]Y. C. Hua and B.Y. Cao,” Slip Boundary Conditions in Ballistic–Diffusive Heat Transport in Nanostructures”, Nanoscale and Microscale Thermophysical Engineering, vol.21, pp.159–176, 2017 [43]J. Maassen,” Steady-state heat transport: Ballistic-to-diffusive with Fourier's law”, Journal of Applied Physics, vol.117, pp.035104, 2015 [44]E. T. Swartz and R. O. Pohl,” Thermal boundary resistance”, Reviews of Modern Physics, vol.61, pp.605-668, 1989 [45]W. Little,” The transport of heat between dissimilar solids at low temperatures”, Canadian Journal of Physics, vol.37, pp.334-349, 1959 [46]N. Q. Le, J. C. Duda, T. S. English, P. E. Hopkins, T. E. Beechem and P. M. Norris,” Strategies for tuning phonon transport in multilayered structures using a mismatch-based particle model”, Journal of Applied Physics, vol.111, pp.084310(8), 2012 [47]Y. C. Hua and B. Y. Cao,” Phonon ballistic-diffusive heat conduction in silicon nanofilms by Monte Carlo simulations”, International Journal of Heat and Mass Transfer”, vol.78, pp.755-759, 2014 | |
dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/72448 | - |
dc.description.abstract | 本論文主要研究目的是建立一全頻蒙地卡羅模擬工具以及探討聲子在矽鍺單晶及單介面材料結構內所受尺寸效應之影響。於本論文中,我們首先驗證模擬工具的正確性,再進行模擬結果及模型理論預測之比較,以釐清其中物理機制。
數值模擬部分使用3D非結構性網格,以能量-基底偏差觀點求解聲子波茲曼傳輸方程式,聲子性質使用在文獻上實驗量測之材料色散關係且假設等向性材料,本質散射機制則使用Holland及Klemens的經驗方程式;利用定溫、絕熱及週期性邊界條件來模擬不同情況之熱傳情形。理論模型則包括單晶材料漫射-彈道熱傳模型及介面熱阻的理論模型,其中異質材料間之介面穿透模型則依據其介面為完全粗糙及完全光滑兩情況分別使用DMM及TMM處理。 對於單晶材料模擬結果,由於聲子發生彈道熱傳,使得邊界上溫度產生不連續溫降(升),且系統內溫度分布近邊界處呈非線性分布,其熱傳行為不再符合傳統傅立葉定律所描述。與理論模型相比,修正線性模型考慮不同頻率聲子對應有各自的局部溫度,其邊界熱阻預測與模擬結果趨勢上較吻合,且此模型所預測傳導熱阻也與模擬結果一致。分析不同尺寸波數聲子對於熱通量的貢獻,發現當尺寸下降時,中高波數聲子對於熱通量的貢獻越來越大;全頻溫度分析則顯示低波數及中高波數聲子分別呈彈道及擴散熱傳行為。 在具單介面的系統中,模擬結果顯示在矽鍺兩端邊界熱阻受尺寸長度影響很小,而介面熱阻隨尺寸長度下降而有逐漸上升的趨勢;與介面熱阻理論解相比,以局部平衡溫度差定義之熱阻雖恆為定值,但尚符合模擬結果。而由全頻熱通量密度,可得熱通量在不同系統長度下,會因兩材料所受本質與介面兩散射機制不同程度影響,其中介面散射又因所使用介面穿透模型不同,使得熱通量隨尺寸下降而有所增減。 | zh_TW |
dc.description.abstract | In this thesis, a full-spectrum energy-based deviational Monte Carlo simulation tool was successfully developed and employed to investigate the size effect on the thermal properties of Si/Ge crystal at nanoscale. The phonon Boltzmann transport equation was solved based on a bulk dispersion relation and the Holland’s and Klemens’s empirical relations for impurity and Umklapped scatterings respectively. The diffuse mismatch model (DMM) and the The thermal mismatch model (TMM) were adopted to handle the phonon responses when they hit a heterogeneous interface. The simulation tool was first verified by comparing its simulation results with theoretical predictions of classical problems; physical mechanisms were discussed about the observed small differences.
For single crystal materials, due to the ballistic behaviors of phonons, temperature jumps occur at the boundaries and the nonlinear temperature profile is observed near the boundaries/interfaces. These phenomena can no longer be described in accordance with the Fourier’s conduction law. Instead, a modified linear model which assumes phonons of different frequencies possess different local equilibrium temperature predicts well with the variation trend of the boundary thermal resistance but fails to capture the nonlinear characteristic. Spectral heat flux densities are therefore also explored to understand the influence of the ballistic transport. It is found as the size decreases, ballistic phonons of medium- and high-wavenumber increase and so are their contribution to the heat transfer. When a single heterogeneous (Si/Ge) interface exists in the system, the simulation results show that the thermal boundary resistances of both ends are nearly independent of the system size. The resistance of the interface gradually increases with decreasing size on the other hand. The theoretical predictions by DMM and TMM are size-independent, but are of about the same order in magnitude. | en |
dc.description.provenance | Made available in DSpace on 2021-06-17T06:59:19Z (GMT). No. of bitstreams: 1 ntu-108-R06522117-1.pdf: 4812451 bytes, checksum: 1c8d4abda651ecaed324d216c83c00e9 (MD5) Previous issue date: 2019 | en |
dc.description.tableofcontents | 口試委員審定書 I
誌謝 II 中文摘要 III Abstract IV 目錄 VI 表目錄 IX 圖目錄 X 符號說明 XIII 第一章 緒論 1 1-1文獻回顧 1 1-2研究動機及目的 5 1-3論文架構 6 第二章 3D非結構性網格全頻蒙地卡羅法 7 2-1 基本理論 7 2-1-1聲子波茲曼傳輸方程式 7 2-1-2聲子色散關係 9 2-1-3聲子散射機制 10 2-2 系統建置與聲子性質初始化 12 2-2-1網格設置 12 2-2-2模擬粒子準備 12 2-3模擬流程 18 2-3-1網格面判斷 19 2-3-2本質散射 19 2-3-3介面散射 21 2-3-4邊界條件 22 2-3-5統計分析 23 2-4程式驗證 24 2-4-1邊界能量偏差 24 2-4-2初始能量偏差 26 2-4-3塊材熱傳導係數 26 2-4-4薄膜熱傳導係數 27 第三章 理論模型介紹 29 3-1 材料彈道-擴散熱傳模型 29 3-1-1線性模型(Linear Model) 29 3-1-2修正線性模型(Modified Linear Model) 33 3-2 介面穿透率模型 33 3-2-1漫射不協調模型(Diffuse Mismatch Model,DMM) 34 3-2-2熱不協調模型(Thermal Mismatch Model,TMM) 34 3-3 介面熱阻理論解 36 第四章 矽鍺單晶及單介面材料熱傳性質 39 4-1 矽鍺單晶材料熱傳性質 39 4-1-1模擬系統網格測試及條件設置 39 4-1-2溫度分布及邊界熱阻 41 4-1-3全頻熱通量分析 43 4-1-4傳導熱阻及熱傳導係數 45 4-2 矽鍺介面熱阻 47 4-2-1網格測試、模擬系統及條件設置 47 4-2-2 介面模型驗證 48 4-2-3系統尺寸效應 49 4-2-4頻譜分析 51 第五章 結論與未來展望 53 5-1 結論 53 5-1-1數值模擬工具驗證 53 5-1-2單晶材料 53 5-1-3單介面材料 54 5-2 未來展望 55 參考文獻 56 圖表 61 | |
dc.language.iso | zh-TW | |
dc.title | 全頻聲子蒙地卡羅法開發 | zh_TW |
dc.title | Development of a full-spectrum Monte Carlo simulation for phonons | en |
dc.type | Thesis | |
dc.date.schoolyear | 107-2 | |
dc.description.degree | 碩士 | |
dc.contributor.oralexamcommittee | 洪哲文(Che-Wun Hong),許麗(Li Xu),陳軍華(Chun-Hua Chen) | |
dc.subject.keyword | 全頻,能量偏差蒙地卡羅法,擴散-彈道熱傳,介面熱阻,尺寸效應, | zh_TW |
dc.subject.keyword | full-spectrum,deviational energy-based Monte Carlo,ballistic-diffusive transport,interface resistance,size effect, | en |
dc.relation.page | 101 | |
dc.identifier.doi | 10.6342/NTU201901125 | |
dc.rights.note | 有償授權 | |
dc.date.accepted | 2019-08-05 | |
dc.contributor.author-college | 工學院 | zh_TW |
dc.contributor.author-dept | 機械工程學研究所 | zh_TW |
顯示於系所單位: | 機械工程學系 |
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