清华大学很好博士学位论文丛书低维材料及其界面的热输运机制与模型研究

本书特色

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本书是作者在其博士学位论文的基础上总结、改进、提炼而形成的学术著作。本书通过运用大规模分子动力学模拟与理论分析相结合的方法，重点研究了石墨烯等低维材料中缺陷、无序度、弱耦合界面和强耦合界面等因素影响热输运过程的微观机制，进而基于分子动力学模拟的结果构建了适用于不同低维体系的预测热输运过程的理论模型，促进了对低维材料热输运过程的合理理解，可为微纳米电子器件热管理、新型相变传热材料设计等提供一定的科学参考依据和新思路。 本书可供微纳米材料与器件设计领域相关的学者和科研人员参考。

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内容简介

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本书是作者在其博士学位论文的基础上总结、改进、提炼而形成的学术著作。本书通过运用大规模分子动力学模拟与理论分析相结合的方法，重点研究了石墨烯等低维材料中缺陷、无序度、弱耦合界面和强耦合界面等因素影响热输运过程的微观机制，进而基于分子动力学模拟的结果构建了适用于不同低维体系的预测热输运过程的理论模型，促进了对低维材料热输运过程的合理理解，可为微纳米电子器件热管理、新型相变传热材料设计等提供一定的科学参考依据和新思路。
本书可供微纳米材料与器件设计领域相关的学者和科研人员参考。

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目录

目录第1章绪论1.1课题背景及研究意义1.2研究概况1.2.1国内外研究动态1.2.2问题与挑战1.3研究方法简介1.3.1**性原理计算方法1.3.2MD模拟1.3.3热导率的数值计算1.4本书的主要内容
第2章缺陷的散射机制与有效介质理论2.1本章引论2.2多晶石墨烯的原子结构及热导率的计算方法2.2.1多晶石墨烯的原子结构2.2.2热导率的计算方法2.3多晶石墨烯热导率的计算结果2.4多晶石墨烯的热流散射机制2.5有效介质理论及其在多晶石墨烯中的应用2.5.1宏观晶粒尺寸的多晶石墨烯的热导率2.5.2多晶石墨烯热输运的温度依赖性2.6有效介质理论在GO中的应用2.7本章小结
第3章无序度与振动模态局域化3.1本章引论3.2二维双层二氧化硅的结构与计算方法3.2.1二维双层二氧化硅的原子结构3.2.2热导率的计算方法3.3晶体和非晶的二维双层二氧化硅的热输运3.4振动模态的局域化及相关的理论研究3.4.1Allen�睩eldman理论3.4.2低维材料中振动模态的局域化3.4.3低维材料中热流的局域化3.4.4局部无序材料的热输运模型的讨论3.5本章小结
第4章弱耦合界面与扩散式输运模型4.1本章引论4.2石墨烯/铜基底界面与扩散式热输运过程4.2.1石墨烯/铜基底界面的构建与结构优化4.2.2石墨烯在基底上的形貌及水分子插层的影响4.2.3水分子插层有效减弱界面的电学耦合4.2.4扩散式热输运机制与水分子插层的影响4.3石墨烯/细胞膜界面与扩散式热输运模型4.3.1石墨烯/生物界面的原子结构4.3.2石墨烯/细胞膜界面的水分子层结构4.3.3石墨烯/细胞膜界面的热耗散过程4.3.4扩散式热输运机制与生物纳米界面的热耗散模型4.4关于水分子插层及扩散式输运机制的讨论4.5本章小结
第5章强耦合分子界面的热输运研究5.1本章引论5.2苯环分子结界面的热输运机制与热稳定性5.2.1苯环分子结的原子模型与界面热阻计算方法5.2.2单分子结的热输运过程5.2.3分子结的热耗散与热稳定性5.2.4苯环分子结界面的热输运机制5.3SAM/金刚石分子结界面的热输运机制5.3.1SAM/金刚石分子结模型与界面热导的计算方法
5.3.2SAM分子结界面的热输运机制5.3.3影响SAM分子结界面热输运性质的其他因素5.3.4SAM作为热界面材料的应用前景5.4强耦合分子界面的热输运机制讨论5.5本章小结
第6章总结与展望
参考文献附录A与本书有关的物理常数及换算因子附录B振动态密度求解程序附录C振动谱能量密度求解程序附录D热导率求解程序附录E作者发表的相关文章致谢Contents低维材料及其界面的热输运机制与模型研究ContentsChapter 1Introductions1.1Background and Significance of the Research1.2Research Situation1.2.1Reseach Trends at Home and Abroad1.2.2Problems and Challenges1.3Brief Introduction of Research Methods1.3.1First�睵rinciples Methods1.3.2Molecular Dynamics Simulation1.3.3Numerical Calculations of Thermal Conductivity1.4The Main Contents of This Book
Chapter 2The Scattering Mechanism of Defects and the Theory of Effective Medium2.1The Introduction of This Chapter2.2The Atomic Structure of Polycrystalline Graphene and the Method of Calculating Thermal Conductivity2.2.1The Atomic Structure of Polycrystalline Graphene
2.2.2The Method of Calculating Thermal Conductivity
2.3The Simulated Results of Polycrystalline Graphene Thermal Conductivity2.4Heat Flow Scattering Mechanism of Polycrystalline Graphene
2.5Effective Medium Theory and Its Application in PolycrystallineGraphene2.5.1The Thermal Conductivity of Polycrystalline Graphene with Macroscopic Grain Size2.5.2Temperature Dependence of Heat Transport of Polycrystalline Graphene2.6Applications of Effective Medium Theory in Graphene Oxide
2.7Chapter Summary
Chapter 3Disorder Degree and Vibration Mode Localization3.1The Introduction of This Chapter3.2Structure and Calculation Method of Two�睤imensional Bilayer Silica3.2.1Atomic Structure of Two�睤imensional Bilayer Silica
3.2.2The Calculation Method of Thermal Conductivity3.3Thermal Transports of Crystalline and Amorphous Two�睤imensional Bilayer Silica3.4Theoretical Study of Localization and Correlation of Vibration Modes3.4.1Allen�睩eldman Theory3.4.2Localization of Vibration Modes in Low Dimensional Materials3.4.3Localization of Heat Flow in Low Dimensional Materials3.4.4Discussion on the Thermal Transport Model of Local Disordered Materials3.5Chapter Summary
Chapter 4Weak Coupling Interfaces and Diffusional Models of Transport
4.1The Introduction of This Chapter4.2The Interface of Graphene/Copper Substrate and the Process of Diffusional Heat Transport4.2.1Construction and Structure Optimization of the Interface of Graphene/Copper Substrate4.2.2The Morphology of Graphene on Substrate and Effects of the Intercalation of Water Molecules4.2.3The Intercalation of Water Molecules Effectively Weaken the Electrical Coupling of the Interface4.2.4Diffusional Heat Transport Mechanism and Effects of the Intercalation of Water Molecules4.3The Interface of Graphene/Cell Membrane and the Model of Diffusional Heat Transport4.3.1The Atomic Structure of the Interface of Graphene/Biology4.3.2The Water Molecular Layer Structure of the Interface of Graphene/Cell Membrane4.3.3The Heat Dissipation Process of the Interface of Graphene/Cell Membrane4.3.4Diffusional Heat Transport Mechanism and Heat Dissipation Models of Biological Nano Interfaces4.4Discussion on the Intercalation of Water Molecules and Diffusional Heat Transport Mechanism4.5Chapter Summary
Chapter 5Study on Heat Transfer of Strongly Coupled Molecular Interfaces5.1The Introduction of This Chapter5.2The Heat Transport Mechanism and the Thermal Stability of Molecular Junction Interface of Benzene Ring5.2.1The Atomic Model of Molecular Junction of Benzene Ring and the Calculation Method of the Thermal Resistance of the Interface5.2.2The Heat Transport Process of Single Molecular Junction5.2.3The Heat Dissipation and Thermal Stability of Molecular Junction5.2.4The Heat Transport Mechanism of Molecular Junction Interface5.3The Heat Transport Mechanism of Molecular Junction Interface of SAM/Diamond5.3.1The Molecular Junction Model of SAM/Diamond and the Calculation Method of Interface Thermal Conductivity 5.3.2The Heat Transport Mechanism of Molecular Junction Interface of SAM5.3.3Other Influential Factors of the Heat Transport Mechanism of Molecular Junction Interface of SAM
5.3.4Application Prospect of SAM as a Thermal Interface Material5.4Discussion on the Heat Transport Mechanism of Strongly Coupled Molecular Interfaces5.5Chapter Summary
Chapter 6Summary and Outlook
References
Appendix APhysical Constants and Conversion Factors Related to This BookAppendix BThe Solving Program for Vibrational Density of StatesAppendix CThe Solving Program for Energy Density of Vibrational SpectrumAppendix DThe Solving Program for Thermal ConductivityArticles Related to This Book Published by the AuthorAcknowledgements

封面

书名:清华大学很好博士学位论文丛书低维材料及其界面的热输运机制与模型研究

作者:王艳磊

页数:0

定价:¥89.0

出版社:清华大学出版社

出版日期:2018-02-01

ISBN:9787302532675

PDF电子书大小:82MB 高清扫描完整版