CHEM-EV02 - Transport and Self-assembly in Soft Matter, Lectures, 1.11.2021-10.12.2021

Please note! Course description is confirmed for two academic years, which means that in general, e.g. Learning outcomes, assessment methods and key content stays unchanged. However, via course syllabus, it is possible to specify or change the course execution in each realization of the course, such as how the contact sessions are organized, assessment methods weighted or materials used.

LEARNING OUTCOMES

After this course the students will
know the basics of Langevin and overdamped equation of motions,
be able to obtain and interpret radial distribution functions, direct correlation functions, and know their role in the Ornstein-Zernike equation,
be used to the concept of coarse-graining and the framework of classical density functional theory,
know the basics of Monte Carlo simulations and (pseudo) random number generators,
be able to perform simple Brownian dynamics simulations and interpret phase behaviours in ultra-soft systems,
be able to grasp recent advances in topic related to transport, phase separation and self assembly from scientific publications.

Credits: 5

Schedule: 01.11.2021 - 10.12.2021

Teacher in charge (valid for whole curriculum period):

Teacher in charge (applies in this implementation): Alberto Scacchi, Jenny Thors

Contact information for the course (applies in this implementation):

CEFR level (valid for whole curriculum period):

Language of instruction and studies (applies in this implementation):

Teaching language: English. Languages of study attainment: English

CONTENT, ASSESSMENT AND WORKLOAD

Content

  • valid for whole curriculum period:

    Theoretical
    1. Equations of motions (Langevin and Brownian dynamics)
    2. Liquid state theory: correlation functions such as RDF, static structure factor, dispersion relation and inversions, Ornstein-Zernike equation
    3. Coarse-graining concept and average density
    4. Introduction to classical density functional theory

    Numerical
    1. Recap of Monte Carlo simulations
    2. Brownian dynamics (extend to active Brownian dynamics with biological applications)
    3. Classical density functional theory (numerical aspects)

    Phenomena
    1. Cluster crystals in Generalised Exponential Models (GEM-n), a coarse grained model for dendrimers
    2. Self-assembly, e.g. micelles and quasicrystals
    3. Phase separations, e.g. wetting, drying and liquid-liquid phase separation

    Projects/Exercises
    These projects require a short report which will be evaluated (marks from 0-5)
    1. Introduction to random number generator in Python: use Monte Carlo to approximate the value of pi. Studyerror as a function of sample size.
    2. From a given Python code simulate N Lennard-Jones particles in a 3D periodic box using Brownian dynamics simulations. Implement and obtain the radial distribution function.
    3. From a given Python code simulate M GEM-8 particles in 2D periodic box using Brownian dynamics simulations. Study the cluster crystal formation for different concentrations (phase diagram).

Assessment Methods and Criteria

  • valid for whole curriculum period:

    Oral exam (70%) and projects marks (30%) for the evaluation of the course.

Workload

  • valid for whole curriculum period:

    36h lectures, 16h projects, 72h of personal study and 12h of scientific papers reading.

DETAILS

Study Material

  • valid for whole curriculum period:

    Lecture notes will be provided. The theoretical part is based on the book Theory of simple liquids, J.-P. Hansen and I. R. McDonald, third Ed. (2013) and the report Effective interactions in soft condensed matter physics, C. N. Likos, Physics Reports (2001). For numerical topics and phenomena discussions the lectures will be mainly based on published manuscripts.

Substitutes for Courses
Prerequisites
SDG: Sustainable Development Goals

    9 Industry, Innovation and Infrastructure

    12 Responsible Production and Consumption

FURTHER INFORMATION

Further Information

  • valid for whole curriculum period:

    Teaching Period:

    2021-2022: period II

    Course Homepage: https://mycourses.aalto.fi/course/search.php?search=CHEM-EV02

    Registration for Courses: In the academic year 2021-2022, registration for courses will take place on Sisu (sisu.aalto.fi) instead of WebOodi.

    SISU

Rules of Conduct - Students´ Rights and Responsibilities (in force from 1 August 2020)

Aalto University Code of Academic Integrity and Handling Violations Thereof