Termodynamika mikroskopických nerovnovážných procesů
| Název práce v češtině: | Termodynamika mikroskopických nerovnovážných procesů |
|---|---|
| Název v anglickém jazyce: | Microscopic thermodynamics of irreversible processes |
| Akademický rok vypsání: | 2024/2025 |
| Typ práce: | disertační práce |
| Jazyk práce: | čeština |
| Ústav: | Katedra makromolekulární fyziky (32-KMF) |
| Vedoucí / školitel: | RNDr. Artem Ryabov, Ph.D. |
| Řešitel: | |
| Konzultanti: | RNDr. Viktor Holubec, Ph.D. |
| Zásady pro vypracování |
| Principal tasks:
- Studying contemporary literature on stochastic dynamics and thermodynamics of small systems. - Theoretical investigation of basic thermodynamic and transport coefficients for small systems and in multiplarticle models with short- and long-range interactions. - Development of analytical methods (thermodynamic formalism, bounds on performance of motors, designing effective stochastic model systems) and numerical algorithms (Monte Carlo and Brownian dynamics simulations for single- and many-particle systems). - Confronting theoretical results against experimental observations of behavior of naturally occurring molecular motors and artificial in-lab-prepared systems (catalytic enzymes, active and driven colloids). |
| Seznam odborné literatury |
| [1] U. Seifert, Ann. Rev. Condens. Matt. Phys. 10, 171-192 (2019)
[2] V. Holubec and A. Ryabov, J. Phys. A: Math. Theor. 55, 013001 (2022) [3] A. Ryabov and M. Tasinkevych, Soft Matter, accepted (2022), DOI: 10.1039/D2SM00054G [4] D. Voráč, P. Maass, and A. Ryabov, J. Phys. Chem. Lett. 11, 6887-6891 (2020) [5] E. Cereceda-López, D. Lips, A. Ortiz-Ambriz, A. Ryabov, P. Maass, and P. Tierno, Phys. Rev. Lett. 127, 214501 (2021) [6] K. Sekimoto, Stochastic Energetics (Springer, Berlin Heidelberg 2010) [7] C.W. Gardiner, Handbook of Stochastic Methods for Physics, Chemistry and the Natural Sciences (2nd ed., Springer-Verlag Berlin 1983) [8] Further literature shall be recommended by the advisor. |
| Předběžná náplň práce |
| Transformations of chemical free energy into mechanical work is a fundamental process involved in operation of molecular machines. However, basic physical principles governing and limiting such processes are far from being completely understood. In recent years, several general theorems describing fluctuations of thermodynamic quantities, defined for individual stochastic trajectories of a small system, were discovered and tested experimentally and the self-consistent theoretical framework known as “stochastic thermodynamics” has been established. Consequences of these general relations, which follow from microscopic reversibility of the underlying microscopic dynamics, for definitions and properties of thermodynamic quantities and for performance limitations of small machines are currently under active debate. The basic research following these directions will be the main topic of the current doctoral thesis. From a general perspective, the doctoral candidate will be exploring actual consequences of the principle of microscopic reversibility as valid for transport coefficients of individual molecular machines and their collective properties in case of strong interactions. This can include stochastic thermodynamic generalizations of the transition state theory, thermodynamics of nonlinear and unstable stochastic systems, and exploration of bounds on performance of thermodynamic characteristics of molecular motors.
Required skills of the candidate: - Experience in theoretical soft matter physics and chemical kinetics. - Good knowledge of equilibrium statistical mechanics and thermodynamics. - Experience with basics of non-equilibrium statistical physics, in particular with the linear irreversible thermodynamics, thermodynamics of coupled processes in nonequilibrium steady states, and the linear-response theory in statistical mechanics. - Basic knowledge of mathematical and numerical methods of theory of stochastic processes (Brownian motion, Brownian dynamics simulations, Monte Carlo simulations). |
| Předběžná náplň práce v anglickém jazyce |
| Transformations of chemical free energy into mechanical work is a fundamental process involved in operation of molecular machines. However, basic physical principles governing and limiting such processes are far from being completely understood. In recent years, several general theorems describing fluctuations of thermodynamic quantities, defined for individual stochastic trajectories of a small system, were discovered and tested experimentally and the self-consistent theoretical framework known as “stochastic thermodynamics” has been established. Consequences of these general relations, which follow from microscopic reversibility of the underlying microscopic dynamics, for definitions and properties of thermodynamic quantities and for performance limitations of small machines are currently under active debate. The basic research following these directions will be the main topic of the current doctoral thesis. From a general perspective, the doctoral candidate will be exploring actual consequences of the principle of microscopic reversibility as valid for transport coefficients of individual molecular machines and their collective properties in case of strong interactions. This can include stochastic thermodynamic generalizations of the transition state theory, thermodynamics of nonlinear and unstable stochastic systems, and exploration of bounds on performance of thermodynamic characteristics of molecular motors.
Required skills of the candidate: - Experience in theoretical soft matter physics and chemical kinetics. - Good knowledge of equilibrium statistical mechanics and thermodynamics. - Experience with basics of non-equilibrium statistical physics, in particular with the linear irreversible thermodynamics, thermodynamics of coupled processes in nonequilibrium steady states, and the linear-response theory in statistical mechanics. - Basic knowledge of mathematical and numerical methods of theory of stochastic processes (Brownian motion, Brownian dynamics simulations, Monte Carlo simulations). |