Infopaket

Theory and Modeling of Nanostructures

ОК 20

Обов’язкова дисципліна для ОП

Second

2023/2024

3 Semester

3

To know the basics of modern theoretical approaches to describe the physical processes in nanostructures, modern methods of modeling nanostructures, and the principles of their implementation in software packages. Be able to create standard program scripts in molecular dynamics package LAMMPS and finite elements package FlexPDE to solve practical problems.

Full-time form

To know the basic laws and concepts of general physics, quantum mechanics, solid-state physics, and physical materials science courses to master the theoretical problems of the course «Theory and Modeling of Nanostructures». Be able to apply previously acquired knowledge of mathematical analysis, differential equations, mathematical physics, general physics, quantum mechanics, statistical physics, solid-state physics, physical materials science, and computer technology to solve practical problems of the course «Theory and Modeling of Nanostructures».

The course «Theory and Modeling of Nanostructures» examine modern theoretical approaches and methods for calculating the physical properties of nanomaterials and introduces students to the molecular dynamics package LAMMPS and the finite element package FlexPDE. The purpose of studying the discipline is to master students' modern theoretical models and methods of modeling physical properties and processes in solid-state nanostructures. The educational task of the course is to develop basic skills in working with computer programs for modeling nanostructured materials. The result of the training is a system of acquired knowledge about modern theoretical approaches and computational methods for the physics of nanostructures and the ability to implement them in appropriate software packages. Teaching methods: lectures, independent work. Assessment methods: modular test work, surveys during lectures, practical tasks.

1. Kurilyuk V.V. Methodical development of the course «Theory and modeling of nanostructures» - Vinnytsia: LLC "Nilan-LTD", 2017. - 28 p. 2. Di Sia P. Mathematics and Physics for Nanotechnology: Technical Tools and Modeling. - Singapore: Jenny Stanford Publishing, 2019. - 242 p. 3. Chandel V., Wang G., and Talha M. Advances in modeling and analysis of nanostructures: a review // Nanotechnol Rev. - 2020. - Vol. 9. - P. 230–258. 4. Vasiliev O. Programming in Python. - Textbook - Bogdan. - 2018. - 504 p.

Lectures - 30 hours. Self-study - 60 hours.

Semester assessment: (max / min) 1. Modular test 1 on topics 1-5: PH 1.1 - 20 points / 12 points 2. Surveys during lectures: PH 1.1 - 10 points / 6 points 3. Verification of program codes in LAMMPS and FlexPDE packages on topics 6-13: PH 2.1 - 30 points / 18 points Surveys during lectures, modular control work, verification of program codes in LAMMPS and FlexPDE packages. A student is not allowed to take the exam if he / she scored less than 36 points during the semester. The grade for the exam cannot be less than 24 points for it to be an overall positive grade for the course.

Ukrainian