Concept

Maximum entropy thermodynamics

Publications associées (114)

First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

Materials for high -temperature environments are actively being investigated for deployment in aerospace and nuclear applications. This study uses computational approaches to unravel the crystallography and thermodynamics of a promising class of refractory ...

Pergamon-Elsevier Science Ltd2024

Growth and investigation of Argon thin films adsorbed on graphite by means of Ultrafast Electron Diffraction

Paolo Usai

Starting from our big universe to the microscopic world, phase transitions play an important role in nature. Just after the Big Bang our universe experienced multiple phase transitions, from high-temperature plasma to the matter we know today.Phase transit ...

EPFL2023

A complete description of thermodynamic stabilities of molecular crystals

Venkat Kapil, Edgar Albert Engel

Predictions of relative stabilities of (competing) molecular crystals are of great technological relevance, most notably for the pharmaceutical industry. However, they present a long-standing challenge for modeling, as often minuscule free energy differenc ...

NATL ACAD SCIENCES2022

Few-femtosecond resolved imaging of laser-driven nanoplasma expansion

Christoph Bostedt

The free expansion of a planar plasma surface is a fundamental non-equilibrium process relevant for various fields but as-yet experimentally still difficult to capture. The significance of the associated spatiotemporal plasma motion ranges from astrophysic ...

IOP Publishing Ltd2022

Transport across thin membranes: Effective solute flux jump

François Gallaire, Pier Giuseppe Ledda, Giuseppe Antonio Zampogna

A model to describe the transport across membranes of chemical species dissolved in an incompressible flow is developed via homogenization. The asymptotic matching between the microscopic and macroscopic solute concentration fields leads to a solute flux j ...

AIP Publishing2022

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Vassily Hatzimanikatis, Ljubisa Miskovic, Maria Masid Barcon, Mohammadomid Oftadeh, Pierre Guy Rémy Salvy

Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

NATURE PORTFOLIO2021

Differential Entropy of the Conditional Expectation under Gaussian Noise

Michael Christoph Gastpar, Alper Köse, Ahmet Arda Atalik

This paper considers an additive Gaussian noise channel with arbitrarily distributed finite variance input signals. It studies the differential entropy of the minimum mean-square error (MMSE) estimator and provides a new lower bound which connects the diff ...

IEEE2021

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

Bell Diagonal and Werner State Generation: Entanglement, Non-Locality, Steering and Discord on the IBM Quantum Computer

Nicolas Macris, Su Yeon Chang, Marc-André Dupertuis, Chun Lam Chan, Samuel Bosch, Nicolas Schwaller, Frédéric Gessler

We propose the first correct special-purpose quantum circuits for preparation of Bell diagonal states (BDS), and implement them on the IBM Quantum computer, characterizing and testing complex aspects of their quantum correlations in the full parameter spa ...

2021

Aggregation of discoidal particles due to depletion interaction

Depletion interactions between colloids of discoidal shape can induce their self-assembly into columnar aggregates. This is an effect of entropic origin with important implications in a range of colloidal systems, particularly in the clustering of erythroc ...

2021

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