Areas of anomalous properties as function of shape of potential

Turk, Matevž (avtor), Urbič, Tomaž (avtor)

By molecular dynamics and Monte Carlo simulations we have determined regions and hierarchy of anomalies in the purely repulsive core-softened system. The particles are repelling each other through an isotropic core-softened potential with two characteristics lengths. The first is a hard core with one diameter and the second a soft corona with at larger distance. The thermodynamics and structure was assessed and anomalous regions determined. We have shown that in two dimensional systems the size of 100 particles is enough to get correct details by comparing these results to data from simulations 1000 and even 10000 particles. The model has anomaly of density, diffusivity and structure and their hierarchy is water-like no matter what parameters are used. We have shown that in two dimensional systems the size of 100 particles is enough to get correct details by comparing these results to data from simulations of 1000 and even 10000 particles.

• Jezik: Angleški jezik
• Ključne besede: anomalies, hierarchy, molecular dynamics, density anomaly, structural anomaly
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2024
• Št. strani: 9 str.
• Številčenje: Vol. 577, art. 113988
• PID: 20.500.12556/RUL-152932
• UDK: 544.272
• ISSN pri članku: 0378-3812
• DOI: 10.1016/j.fluid.2023.113988
• COBISS.SI-ID: 171430403
• Datum objave v RUL: 12.12.2023

Gradivo je del revije

• Naslov: Fluid phase equilibria
• Skrajšan naslov: Fluid phase equilib.
• Založnik: Elsevier
• ISSN: 0378-3812
• COBISS.SI-ID: 6362119

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: anomalne lastnosti, anomalije, molekulska dinamika