Solid-amorphous transition is related to the waterlike anomalies in a fluid without liquid-liquid phase transition.

J Chem Phys

Centro de Ciências, Tecnologias e Saúde, Campus Araranguá, Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150, CEP 88905-120 Araranguá, Santa Catarina, Brazil.

Published: April 2023

The most accepted origin for the water anomalous behavior is the phase transition between two liquids (LLPT) in the supercooled regime connected to the glassy first order phase transition at lower temperatures. Two length scale potentials are an effective approach that has long been employed to understand the properties of fluids with waterlike anomalies and, more recently, the behavior of colloids and nanoparticles. These potentials can be parameterized to have distinct shapes, as a pure repulsive ramp, such as the model proposed by de Oliveira et al. [J. Chem. Phys. 124, 64901 (2006)]. This model has waterlike anomalies despite the absence of LLPT. To unravel how the waterlike anomalies are connected to the solid phases, we employ molecular dynamics simulations. We have analyzed the fluid-solid transition under cooling, with two solid crystalline phases, BCC and HCP, and two amorphous regions being observed. We show how the competition between the scales creates an amorphous cluster in the BCC crystal that leads to amorphization at low temperatures. A similar mechanism is found in the fluid phase, with the system changing from a BCC-like to an amorphous-like structure in the point where a maxima in k is observed. With this, we can relate the competition between two fluid structures with the amorphous clusterization in the BCC phase. These findings help to understand the origins of waterlike behavior in systems without the liquid-liquid critical point.

Download full-text PDF

Source
http://dx.doi.org/10.1063/5.0144868DOI Listing

Publication Analysis

Top Keywords

waterlike anomalies
16
phase transition
12
waterlike
5
phase
5
solid-amorphous transition
4
transition waterlike
4
anomalies
4
anomalies fluid
4
fluid liquid-liquid
4
liquid-liquid phase
4

Similar Publications

A DPD model of soft spheres with waterlike anomalies and poly(a)morphism.

Soft Matter

October 2023

Departamento de Física, Instituto de Física e Matemática, Universidade Federal de Pelotas, Caixa Postal 354, CEP 96001-970, Pelotas, RS, Brazil.

Core-softened approaches have been employed to understand the behavior of a large variety of systems in soft condensed matter, from biological molecules to colloidal crystals, glassy phases, and water-like anomalies. At the same time, dissipative particle dynamics (DPD) is a powerful tool suitable for studying larger length and time scales. In this sense, we propose a simple model of soft molecules that exhibits a wide range of interesting phenomena: polyamorphism, with three amorphous phases, polymorphysm, including a recently found gyroid phase and a cubic diamond structure, reentrant liquid phase, and density, diffusion, and structural water-like anomalies.

View Article and Find Full Text PDF

Density anomaly in water-alcohol mixtures: Minimum model for structure makers and breakers.

Phys Rev E

March 2023

Instituto de Física - Universidade Federal do Rio Grande do Sul Porto Alegre, Rio Grande do Sul 91501-970, Brazil.

We modeled the change in the temperature of maximum density (TMD) of a waterlike solvent when small amounts of solute are added to the mixture. The solvent is modeled as a two length scales potential, which is known to exhibit waterlike characteristic anomalies, while the solute is chosen to have an attractive interaction with the solvent which is tuned from small to large attractive potential. We show that if the solute exhibits high attraction with the solvent it behaves as a structure maker and the TMD increases with the addition of solute, while if the solute shows a low attraction with the solvent the TMD decreases, with the solute behaving as a structure breaker.

View Article and Find Full Text PDF

Solid-amorphous transition is related to the waterlike anomalies in a fluid without liquid-liquid phase transition.

J Chem Phys

April 2023

Centro de Ciências, Tecnologias e Saúde, Campus Araranguá, Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150, CEP 88905-120 Araranguá, Santa Catarina, Brazil.

The most accepted origin for the water anomalous behavior is the phase transition between two liquids (LLPT) in the supercooled regime connected to the glassy first order phase transition at lower temperatures. Two length scale potentials are an effective approach that has long been employed to understand the properties of fluids with waterlike anomalies and, more recently, the behavior of colloids and nanoparticles. These potentials can be parameterized to have distinct shapes, as a pure repulsive ramp, such as the model proposed by de Oliveira et al.

View Article and Find Full Text PDF

Interfacial Properties of Fluids Exhibiting Liquid Polyamorphism and Water-Like Anomalies.

J Phys Chem B

April 2023

Institut Lumière Matière, Université de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut universitaire de France, F-69622 Villeurbanne, France.

It has been hypothesized that liquid polyamorphism, the existence of multiple amorphous states in a single-component substance, may be caused by molecular or supramolecular interconversion. A simple microscopic model [Caupin and Anisimov, , , 185701] introduces interconversion in a compressible binary lattice to generate various thermodynamic scenarios for fluids that exhibit liquid polyamorphism and/or water-like anomalies. Using this model, we demonstrate the dramatic effects of interconversion on the interfacial properties.

View Article and Find Full Text PDF

Anomalous behavior of a two-dimensional Hertzian disk system.

Phys Rev E

August 2022

Vereshchagin Institute of High Pressure Physics, Russian Academy of Sciences, Kaluzhskoe shosse, 14, Troitsk, Moscow, 108840 Russia.

The anomalous behavior of a two-dimensional system of Hertzian disks with exponent α=7/2 has been studied using the method of molecular dynamics. The phase diagram of this system is the melting line of a triangular crystal with several maxima and minima. Waterlike density and diffusion anomalies have been found in the reentrant melting regions.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!