Simulation on Structures and Characteristics of Functional Materials

Abstract:

Computational materials and materials design combined with computer techniques are very important contents in materials science. The paper used computer simulations and modeling to study the structures and characteristics of functional materials. It used first principle theory or molecular dynamics methods to study the electronic structures, conductive properties and their relationship of the cathode material. It used molecular dynamics method to study the embedded light small atomic or molecular lamellar graphite thermal behavior of the system; the use of first principles methods to manually control the formation of chemical bonds in the scientific field of single molecule and its characteristics.

• Periodical: Applied Mechanics and Materials (Volume 189)
• Pages: 470-473
• DOI: https://doi.org/10.4028/www.scientific.net/AMM.189.470
• Online since: July 2012
• Authors: Sai Qun Lu
• Keywords: Computer Simulation, Functional Materials, Material Science

References

[1] Scholz W., Suss W. , Schrefl T. Micromagnetic simulation of structure property relations in hard and soft magnets. Comput. Mat. Sci., (2000).

DOI: 10.1016/s0927-0256(99)00094-4

[2] Seng D., Song Z. Method and system for virtual roaming in water conservancy works. 2009 International Conference on Intelligent Human-Machine Systems and Cybernetics, 2009. 08.

DOI: 10.1109/ihmsc.2009.85

[3] Fritz Allhoff, Patrick Lin, Daniel Moore. What is nanotechnology and why does it matter?: from science to ethics. John Wiley and Sons, 2010, pp.3-5.

DOI: 10.1007/s11024-013-9241-y

[4] S.K. Prasad. Modern Concepts in Nanotechnology. Discovery Publishing House, 2008, pp.31-32.

[5] Seng D., Chen W. 3D Visualization and Interaction Technologies Applied in the Modeling of Geological Bodies. 2010 International Conference on Computer Application and System Modeling, 2010. 10.

DOI: 10.1109/iccasm.2010.5620158

[6] Seng D., Liang X. 3D Visualization Techniques of Complex Virtual Scene in Hydraulic Engineering. 2009 1st International Conference on Information Science and Engineering, 2009. 12.

DOI: 10.1109/icise.2009.6

[7] SENG Dewen, Li Zhongxue. Design and implementation of a 3D simulation system for geological and mining engineering. Journal of Liaoning Technical University, Vol. 27(1), pp.9-12, 2008. 02.

[8] Seng D., Wang H. Realistic Real-time Rendering of 3D Terrain Scenes Based on OpenGL. International Conference on Information Science and Engineering, 2009. 12.

DOI: 10.1109/icise.2009.871

[9] Seng D., Song Z., WANG H. Construction and Visualization of Complicated Objects for 3D GIS. Geoinformatics 2008 and Joint Conference on GIS and Built Environment: Geo-Simulation and Virtual GIS Environments, Proc. of SPIE Vol. 7143, 2008. 06.

DOI: 10.1117/12.812642

[10] Seng D., Chen W. Application of RS Theory and SVM in the Ore-rock Classification. 2009 International Conference on Computational Intelligence and Software Engineering, 2009. 12.

DOI: 10.1109/cise.2009.5365160

[11] Seng D. Framework and Key Technologies for the Construction of a Virtual Mine. International Conference on Multimedia Technology, 2010. 10.

DOI: 10.1109/icmult.2010.5629720