Dissertation > Excellent graduate degree dissertation topics show

Molecular Dynamics Simulation of C2 Adsorption on Diamond （111） Surface and Diamond-like Carbon Ion Beam Assisted Deposition

Author: GuoDeCheng
Tutor: LiZhiJie
School: Inner Mongolia University for Nationalities
Course: Theoretical Physics
Keywords: Molecular dynamics simulations Diamond ( 111 ) surface Adsorption Ion Beam Assisted Deposition
CLC: O484
Type: Master's thesis
Year: 2009
Downloads: 80
Quote: 0
Read: Download Dissertation

Abstract


Diamond-like carbon (DLC) film has a lot of excellent physics, chemical properties and a wide range of application prospects, their growth mechanisms and synthesis methods has been an important part of the field of physics and materials science research. Experimental workers have successfully synthesized using ion beam assisted deposition (IBAD) hydrogen diamond-like carbon (DLC) film. However, due to the complexity of the process of the film synthetic growth mechanism for such a film is not a complete understanding of the system. The change of the substrate has a great influence on the structural characteristics of the synthetic diamond film. Ion beam assisted deposition involving dynamic processes such as ion implantation, the experiment is difficult to bombarding particles, the deposition of molecules with the surface of the kinetics of the interaction process tracking observation can not be obtained many atoms-related details. Therefore, research clusters and surface interactions at the atomic level, to understand the microscopic mechanism of the DLC thin film growth, to explore the impact of experimental conditions on the structure of the synthetic diamond film, as well as improved preparation technology and improve the quality of the film is of great significance. Based on the molecular dynamics method and were selected Brenner, Tersoff and Ziegler, Biersack and Littmark (ZBL) potential to describe the interactions between atoms, first studied C 2 clusters in the diamond (111) surface chemistry The adsorption kinetics of the process. Furthermore, the design of the IBAD computer experimental model, simulated Ar ion beam assisted deposition method DLC films deposited on silicon (111) surface. This article reads as follows: (1) In this paper, the MD method at the atomic level simulation study (different incident energy) C 2 molecules in the diamond (111) surface adsorption process, observed in the C < sub> 2 clusters in the diamond (111) surface adsorption structure formation, the surface C atoms bond open C 2 2 clusters different collision process occurs with respect to the different local surface configuration, while the C 2 clusters of the incident energy is conducive to improvement bond process occurred from atomic scale simulation of deposition mechanism. (2) This article Select C 2 clusters as the deposition source the Ar ion as assisted deposition particles, using the method of molecular dynamics simulation to study the physical processes of the IBAD growth of DLC films. C 2 clusters and Ar ion incident energy and arrive than (Ar / C) on average density and sp of 3 key content focused, and Si ( 001) - (2 × 1) compare the results of the DLC film of the surface growth. The results show that the Ar ion bombardment caused by the transfer of energy and momentum, greatly enhance the activity and mobility of the C atoms of the surface deposition the synthetic film SP of 3 bond content, increases the Synthesis of the density of the film, and found that the Si (111) substrate and the thin film, atomic mixing layer was increased significantly, so that the thin film on the surface of the adhesion stronger.

Related Dissertations

  1. Establishment of ELISA for Detecting Cd-MT of Pteria Penguin and Preliminary Study of ELISA-kit,X835
  2. Numerical Study on Phosphorus Distribution in Water Environment of the Three Gorges Reservoir,X832
  3. Optimization Design Andapplication of Extracting Methods of Maize (Zea Mays L.) Volatile Compounds,S513
  4. Accumulation and Leaching Risk of Phosphorus in Vegetable Soils under Intensive Cultivation,S63
  5. Effects of Added Maize Straw and Citric Acid on Cu and Cd Availability in Soil,X131.3
  6. Bamboo forest soil carbon turnover characteristics and its influencing factors,S795.7
  7. Research Particularity on Organo-mineral Complex with Different Sizes of Ammonia Nitrogen Adsorption-desorption in Sediment of YiTong River,S153
  8. Adsorption of Petroleum in Seawater on Biodegradable Materials and Ca-bentonite,X55
  9. Characteristics and Mechanisms of Zn and Cd Adsorption on Vermiculite in Mixed Metal Aqueous Solutions,X703
  10. Magnesium slag , red mud ceramic filter balls resource utilization Experimental Study of As removal from wastewater,X703
  11. The cryogenic under microaerobic conditions AsH_3 gas adsorption purification,X701
  12. Research on Treatment for Arsenic Wastewater Using Coagulation-Oxidation-Adsorption,X703
  13. Fly ash zeolite synthesis and treatment of coking wastewater,X703
  14. Synthesis of Dithioamino Starch Xanthogenate and Its Applicationin Absorption of Heavy Metal lons in a Aqueous Solutions,X703
  15. Studies on the Sorption Behaviors of Phenanthrene and Methylene Blue on Marine Sediments,X703
  16. Adsorption of Carbofur Onto Organic Bentonite in Water,X703
  17. Study on Adsorption Properties of Thiophene on Mesoporous Carbon with Metallic Ions,X701.3
  18. Density Functional Theory Studies of the Interaction between Gold Cluster and Organic Molecules,O561
  19. Adsorption and Oxidation of CO on the Highly Active Catalyst CU-CEO2 （111）: First Principles Study,O469
  20. The Genetic Evolution of H5N1 Subtype Influenza Virus Isolated and Identified from Water of the Tibetan Plateau,S852.65
  21. Studies on Combined Sorption Behaviors of Cationic Surfactant and Heavy Oil on Marine Sediments,X55

CLC: > Mathematical sciences and chemical > Physics > Solid State Physics > Thin Film Physics
© 2012 www.DissertationTopic.Net  Mobile