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Constant-pressure nested sampling with atomistic dynamics

Publications associées (35)

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Vapor compression and energy dissipation in a collapsing laser-induced bubble

Mohamed Farhat, Danail Obreschkow, Davide Bernardo Preso, Armand Baptiste Sieber

The composition of the gaseous phase of cavitation bubbles and its role on the collapse remains to date poorly understood. In this work, experiments of single cavitation bubbles in aqueous ammonia serve as a novel approach to investigate the effect of the ...

Melville2024

Possible restoration of particle-hole symmetry in the 5/2-quantized Hall state at small magnetic field

Frédéric Mila, Loïc Jean Pierre Herviou

Motivated by the experimental observation of a quantized 5/2 thermal conductance at filling nu = 5/2, a result incompatible with both the Pfaffian and the anti-Pfaffian states, we have pushed the expansion of the effective Hamiltonian of the 5/2-quantized ...

AMER PHYSICAL SOC2023

Charge multipole correlations and order in Cs2TaCl6

Henrik Moodysson Rønnow, Ivica Zivkovic, Jian Rui Soh, Jana Pásztorová

We examine the role of charge, structural, and spin degrees of freedom in the previously poorly understood phase transition in the 5d1 transition-metal double perovskite Cs2TaCl6 using a combination of computational and experimental techniques. Our heat ca ...

AMER PHYSICAL SOC2023

Structural Measures as Guides to Ultrastable States in Overjammed Packings

Sangwoo Kim

Jammed, disordered packings of given sets of particles possess a multitude of equilibrium states with different mechanical properties. Identifying and constructing desired states, e.g., of superior stability, is a complex task. Here, we show that in two-di ...

2022

We consider high-dimensional random optimization problems where the dynamical variables are subjected to nonconvex excluded volume constraints. We focus on the case in which the cost function is a simple quadratic cost and the excluded volume constraints a ...

AMER PHYSICAL SOC2022

Predicting when phase changes occur in nanoparticles is fundamental for designing the next generation of devices suitable for catalysis, biomedicine, optics, chemical sensing and electronic circuits. The estimate of the temperature at which metallic nanopa ...

ROYAL SOC CHEMISTRY2021

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At the liquid-gas phase transition in water, the density has a discontinuity at atmospheric pressure; however, the line of these first-order transitions defined by increasing the applied pressure terminates at the critical point(1), a concept ubiquitous in ...

2021

In this article, three different modes of a novel integrated system would be evaluated by the application of high temperature Thermal Energy Storage (TES) to produce electricity, cooling, and freshwater. Freshwater is produced using the reverse osmosis (RO ...

PERGAMON-ELSEVIER SCIENCE LTD2020

Design of a set of indicators suitable to help decision-making on energy strategies for Cuba

Heydi Contreras Peraza

The goal of this Master thesis project was to design a methodology that helps to analyze a set of indicators that can support the decision-making process, by identifying energy strategies with a temporal horizon 2030-2050 in Cuba. Several sources of data a ...

2020

Exergoeconomic optimization of a solar driven system with reverse osmosis desalination unit and phase change material thermal energy storages

Hossein Pourrahmani

The goal of the current article is to suggest a novel solar system to produce power, fresh water, and cooling. As solar energy is unavailable at nights, a novel thermal storage system (TES) based on phase change material (PCM) is used to store the required ...

PERGAMON-ELSEVIER SCIENCE LTD2019