Thermal fluctuations

Natural sciences
Physics
Thermodynamics
Statistical mechanics

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Thermal critical points from competing singlet formations in fully frustrated bilayer antiferromagnets

Frédéric Mila, Antoine Yves Dimitri Fache

We examine the ground-state phase diagram and thermal phase transitions in a plaquettized fully frustrated bilayer spin-1/2 Heisenberg model. Based on a combined analysis from sign-problem free quantum Monte Carlo simulations, perturbation theory, and free ...

AMER PHYSICAL SOC2022

A numerical study of the statistics of roughness parameters for fluctuating interfaces

Elisabeth Agoritsas

Self-affine rough interfaces are ubiquitous in experimental systems, and display characteristic scaling properties as a signature of the nature of disorder in their supporting medium, i.e. of the statistical features of its heterogeneities. Different metho ...

2021

Local excitations in amorphous solids

Wencheng Ji

Amorphous solids are structurally disordered. They are very common and include glasses, colloids, and granular materials, but are far less understood than crystalline solids. Key aspects of these materials are controlled by the presence of excitations in w ...

EPFL2021

Finite-temperature materials modeling from the quantum nuclei to the hot electron regime

Michele Ceriotti, Chiheb Ben Mahmoud, Nataliya Lopanitsyna

Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are usually hindere ...

2021

Fluctuation-dissipation relations in the absence of detailed balance: formalism and applications to active matter

Ignacio Pagonabarraga Mora, Sara Dal Cengio

We present a comprehensive study about the relationship between the way detailed balance is broken in non-equilibrium systems and the resulting violations of the fluctuation-dissipation theorem. Starting from stochastic dynamics with both odd and even vari ...

IOP PUBLISHING LTD2021

Thermally activated flow in models of amorphous solids

Matthieu Wyart, Thomas Willem Jan de Geus, Wencheng Ji, Marko Popovic

Amorphous solids yield at a critical value Sigma(c) of the imposed stress Sigma through a dynamical phase transition. While sharp in athermal systems, the presence of thermal fluctuations leads to the rounding of the transition and thermally activated flow ...

AMER PHYSICAL SOC2021

Global Free-Energy Landscapes as a Smoothly Joined Collection of Local Maps

Michele Ceriotti, Gareth Aneurin Tribello, Federico Giberti

Enhanced sampling techniques have become an essential tool in computational chemistry and physics, where they are applied to sample activated processes that occur on a time scale that is inaccessible to conventional simulations. Despite their popularity, i ...

2021

A general and efficient framework for atomistic machine learning

Félix Benedito Clément Musil

Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...

EPFL2021

Atomic scale investigations of fracture in metal alloys

Eleanor Yi Kei Mak

The demand for metal alloys with superior structural performance in industrial applications continues to increase, as does the need for more-energy efficient materials and methods. Many materials that are otherwise attractive for structural applications ar ...

EPFL2021

Photo- and thermally-induced electronic and structural dynamics in perovskites and transition metal oxides

Oliviero Cannelli

In this thesis, we exploited optical and X-ray pump-probe methods in a synergistic approach to study the interplay of the electronic, spin and structural degrees of freedom in two class of complex systems relevant for solar energy conversion applications: ...

EPFL2021

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