1. 毕业设计（论文）的内容和要求

论文的内容：本课题通过计算碳纳米管（CNT）受限空间内的自组装和成核过程研究磷酸钙的成核机理。

要求是： 1、 理解分子模拟的基本概念、原理； 2、熟悉分子动力学模拟软件gromacs的基本知识，操作步骤，并学会使用； 3、了解最新研究进展； 4、掌握模拟计算分析方法； 5、合理安排实验进程，工作时间不迟到、早退； 6、实验认真仔细，对实验现象进行详细的记录，定期对实验数据进行总结，及时调整实验方案； 7、 工作积极主动，勤于思考，做好实验室安全卫生工作。

2. 参考文献

[1]#160;Jiang, Q. Ward, M. D. Crystallization under nanoscale confinement. Chem. Soc. Rev. 43, 2066#8211;2079 (2014). [2] Page, A. J. Sear, R. P. Heterogeneous nucleation in and out of pores. Phys. Rev. Lett. 97, 065701 (2006). [3] Emmanuel, S., Anovitz, L. M. Day-Stirrat, R. J. Effects of coupled chemomechanical processes on the evolution of pore-size distributions in geological media. Rev. Mineral. Geochem. 80, 45#8211;60 (2015). [4] Hedges, L. O. Whitelam, S. Patterning a surface so as to speed nucleation from solution. Soft Matter 8, 8624#8211;8635 (2012). [5] Wang, Y. Nanogeochemistry: Nanostructures, emergent properties and their control on geochemical reactions and mass transfers. Chem. Geol. 378#8211;379, 1#8211;23 (2014). [6] Hamilton, B. D., Ha, J.-M., Hillmyer, M. A. Ward, M. D. Manipulating crystal growth and polymorphism by confinement in nanoscale crystallization chambers. Acc. Chem. Res. 45, 414#8211;423 (2012). [7] Cantaert, B., Beniash, E. Meldrum, F. C. Nanoscale confinement controls the crystallization of calcium phosphate: relevance to bone formation. Chem. Eur. J. 19, 14918#8211;14924 (2013). [8] Nudelman, F. et al. The role of collagen in bone apatite formation in the
presence of hydroxyapatite nucleation inhibitors. Nat. Mater. 9, 1004-1009
(2010). [9] Chen, L., Jacquet, R., Lowder, E. Landis, W. J. Refinement of collagen#8211;mineral interaction: A possible role for osteocalcin in apatite crystal nucleation, growth and development. Bone 71, 7#8211;16 (2015). [10] Ito, S., Saito, T. Amano, K. In vitro apatite induction by osteopontin:
interfacial energy for hydroxyapatite nucleation on osteopontin. J. Biomed.
Mater. Res., Part A 69, 11#8211;16 (2004).

3. 毕业设计（论文）进程安排

#160; 起讫日期 设计（论文）各阶段工作内容 19.1.4~19.3.10 文献调研，开题报告 19.3.10~19.5.21 开展实验工作 19.5.21~19.5.28 中后期实验阶段及数据收集 19.5.21~19.6.10 数据整理，撰写论文，准备答辩