Skip to Main Content
 

Global Search Box

 
 
 
 

Files

File List


36724.pdf (41.24 MB)

ETD Abstract Container

Abstract Header

Nanoindentation of Crystalline Materials Using a Multiscale Methodology

Kavalur, Aditya Vijay
http://rave.ohiolink.edu/etdc/view?acc_num=ucin1592133016715324

Abstract Details

2020, PhD, University of Cincinnati, Engineering and Applied Science: Materials Science.
Advances in computing have lead to a sudden burst in simulations involving fully atomistic models. A popular approach for these simulations is the molecular dynamics (MD) technique. Studies employing MD methodology aim to recreate experiments such as nanoindentation, with an aim to extract more information about the model than is possible with experiments. However, while MD does provide a wealth of information such as positions and velocities of all atoms, which can be used to directly study deformation mechanisms as well as provide direct visualization, it has severe drawbacks. The most fundamental restriction of MD is its length-scale limitation, which even on high-performance computing clusters is restricted to the nano-meter range. This makes it difficult to perform one-to-one comparison with experiments. An alternative approach which addresses this length-scale restriction is known as the partitioned-domain method which couples different methods in the same model. One such approach is the quasicontinuum (QC) method which couples atomistic and continuum regions. In the current study we first evaluate the effect of fundamental MD parameters namely: thermostat variables and size of the time-step, on the indentation response of Nickel. We then proceed to show that the length-scales prevalent in MD for nanoindentation simulations have an effect on its response therefore they cannot be used for a direct comparison with larger experimental systems. We then introduce the QC method and improve its computational efficiency by using a hybrid-linear elasticity and Cauchy-Born approach in the continuum region. The QC method is then extended to 3-dimensions and finite temperature for simple and complex lattice systems.
Woo Kyun Kim, Ph.D. (Committee Chair)
Donglu Shi, Ph.D. (Committee Member)
Vijay Vasudevan, Ph.D. (Committee Member)
Kumar Vemaganti, Ph.D. (Committee Member)
213 p.
Materials Science
multiscale modeling; crystal defect; quasicontinuum

Recommended Citations

Citations

  • Kavalur, A. V. (2020). Nanoindentation of Crystalline Materials Using a Multiscale Methodology [Doctoral dissertation, University of Cincinnati]. OhioLINK Electronic Theses and Dissertations Center. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1592133016715324

    APA Style (7th edition)

  • Kavalur, Aditya Vijay. Nanoindentation of Crystalline Materials Using a Multiscale Methodology. 2020. University of Cincinnati, Doctoral dissertation. OhioLINK Electronic Theses and Dissertations Center, http://rave.ohiolink.edu/etdc/view?acc_num=ucin1592133016715324.

    MLA Style (8th edition)

  • Kavalur, Aditya Vijay. "Nanoindentation of Crystalline Materials Using a Multiscale Methodology." Doctoral dissertation, University of Cincinnati, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1592133016715324

    Chicago Manual of Style (17th edition)

ucin1592133016715324
122
© 2020, some rights reserved.Creative Commons License Nanoindentation of Crystalline Materials Using a Multiscale Methodology by Aditya Vijay Kavalur is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported License. Based on a work at etd.ohiolink.edu.
This open access ETD is published by University of Cincinnati and OhioLINK.