Hierarhija anomalij v modelu z mehko sredico

Breznikar, Rok (author), Urbič, Tomaž (mentor)

S simulacijami Monte Carlo v kanoničnem in izotermno-izobarnem ansamblu smo raziskali lastnosti anomalne tekočine v dvodimenzionalnem sistemu, modelirane s potencialom CSW, ki spada med modele z mehko sredico. Model je izotropen in vsebuje dve karakteristični razdalji. S simulacijami smo raziskovali prisotnost področij anomalij gostote, difuzije in strukture ter njihovo hierarhijo.

• Language: Slovenian
• Keywords: Monte Carlo, potencial CSW, voda, anomalije
• Work type: Bachelor thesis/paper
• Typology: 2.11 - Undergraduate Thesis
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2022
• PID: 20.500.12556/RUL-139578
• COBISS.SI-ID: 126407171
• Publication date in RUL: 05.09.2022

Secondary language

• Language: English
• Title: Hierarchy of anomalies in a core-softened model

Abstract

Using Monte Carlo simulations in the canonical and isothermal-isobaric ensembles, we investigated the properties of an anomalous liquid in a two-dimensional system, modelled by the CSW potential, a member of the core-softened models. The model is isotropic and is characterized by two characteristic distances. Through simulations, we investigated the presence of density, diffusion, and structural anomalies and their hierarchy.

• Keywords: Monte Carlo, CSW potential, water, anomalies