Related papers: Thermodynamic validity criterion for the irreversi…
The rates of chemical reactions are not absolute but their magnitude depends upon the relative speeds of the moving observers. This has been proved by unifying theories of chemical kinetics, which are transition state theory, collision…
Biochemical reactions are fundamentally noisy at a molecular scale. This limits the precision of reaction networks, but also allows fluctuation measurements which may reveal the structure and dynamics of the underlying biochemical network.…
A new lattice Boltzmann model (LBM) for chemically reactive mixtures is presented. The approach capitalizes on the recently introduced thermodynamically consistent LBM for multicomponent mixtures of ideal gases. Similar to the non-reactive…
Motivated by the recent proposed models of the information engine [D. Mandal and C. Jarzynski, Proc. Natl. Acad. Sci. 109, 11641 (2012)] and the information refrigerator [D. Mandal, H. T. Quan, and C. Jarzynski, Phys. Rev. Lett. 111, 030602…
Irreversible thermodynamics of single-molecule experiments subject to external constraining forces of a mechanical nature is presented. Extending Onsager's formalism to the non-linear case of systems under non-equilibrium external…
Understanding the dynamical consequences of quantum phase transitions on thermodynamical quantities, such as work statistics and entropy production, is one of the most intriguing aspect of quantum many-body systems, pinpointing the…
We consider the microscopic solutions of the Boltzmann-Enskog equation discovered by Bogolyubov. The fact that the time-irreversible kinetic equation has time-reversible microscopic solutions is rather surprising. We analyze this paradox…
The standard argument for the Lorentz invariance of the thermodynamic entropy in equilibrium is based on the assumption that it is possible to perform an adiabatic transformation whose only outcome is to accelerate a macroscopic body,…
Years ago Edwards proposed a thermodynamic description of dense granular matter, in which the grains (the `atoms' of the system) interact with inelastic forces. The approach is intriguing but is not justified from first principles, and…
Traditional stochastic modeling of reactive systems limits the domain of applicability of the associated path thermodynamics to systems involving a single elementary reaction at the origin of each observed change in composition. An…
Using the dedicated computer Janus, we follow the nonequilibrium dynamics of the Ising spin glass in three dimensions for eleven orders of magnitude. The use of integral estimators for the coherence and correlation lengths allows us to…
Generic far-away-from-equilibrium many-body dynamics involve entropy production, and hence are thermodynamically irreversible. Near quantum critical points, an emergent conformal symmetry can impose strong constraints on entropy production…
On the occasion of the 100th anniversary of the beginning of the revolutionary contributions to physics by Einstein, I am happy to respond to a problem posed by him in 1905. He said: In this paper it will be shown that according to the…
This work consists in the theorical development on the analysis of the Thermodynamic Laws and thermodynamic systems in relative motion, according to the laws of Classical Mechanics. The difference of this work for many of the literature is…
Attempts to establish microcanonical entropy as an adiabatic invariant date back to works of Gibbs and Hertz. More recently, a consistency relation based on adiabatic invariance has been used to argue for the validity of Gibbs (volume)…
Low-temperature-differential (LTD) Stirling heat engines are able to operate with a small temperature difference between low-temperature heat reservoirs that exist in our daily lives, and thus they are considered to be an important…
Thermodynamics can be formulated in either of two approaches, the phenomenological approach, which refers to the macroscopic properties of systems, and the statistical approach, which describes systems in terms of their microscopic…
We use functional, Fr\'echet, derivatives to quantify how thermodynamic outputs of a molecular dynamics (MD) simulation depend on the potential used to compute atomic interactions. Our approach quantifies the sensitivity of the quantities…
Investigations of quantum and mesoscopic thermodynamics force one to answer two fundamental questions associated with the foundations of statistical mechanics: (i) how does macroscopic irreversibility emerge from microscopic reversibility?…
Quantum mechanics/molecular mechanics (QM/MM) is a standard computational tool for describing chemical reactivity in systems with many degrees of freedom, including polymers, enzymes, and reacting molecules in complex solvents. However,…