相关论文: Entropy-Driven Microstructure Evolution Predicted …
Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…
We apply a newly proposed Monte Carlo method, the Wang-Landau algorithm, to the study of the three-dimensional antiferromagnetic q-state Potts models on a simple cubic lattice. We systematically study the phase transition of the models with…
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain…
We propose a minimal model to simulate long waiting times followed by evolutionary bursts on rugged landscapes. It combines point and inversions-like mutations as sources of genetic variation. The inversions are intended to simulate one of…
We simulate the evolution of a protein-like sequence subject to point mutations, imposing conservation of the ground state, thermodynamic stability and fast folding. Our model is aimed at describing neutral evolution of natural proteins. We…
Starting from a coarse-grained map of a quantum many-body system, we construct the inverse map that assigns a microscopic state to a coarse-grained state based on the maximum entropy principle. Assuming unitary evolution in the microscopic…
We present a model system for objects, climbers, which have the ability to move as ASEP particles with non-uniform forward and backward jumping rate dynamics. These climbers are implemented as Mandal-Quan-Jarzynski [1] machines. Climbers on…
This paper presents a new monolithic free-surface formulation that exhibits correct kinetic and potential energy behavior. We focus in particular on the temporal energy behavior of two-fluids flow with varying densities. Correct energy…
Evolution is a dynamic process. The two classical forces of evolution are mutation and selection. Assuming small mutation rates, evolution can be predicted based solely on the fitness differences between phenotypes. Predicting an…
We revisit textbook claims that entropy must increase and show that, under time-reversal invariant microscopic dynamics, no universal trajectory-wise or statistical assertion that the coarse-grained entropy $S(t)$ is non-decreasing can…
Various methods achieving importance sampling in ensembles of nonequilibrium trajectories enable to estimate free energy differences and, by maximum-likelihood post-processing, to reconstruct free energy landscapes. Here, based on Bayes…
The energy landscapes of proteins have evolved to be different from most random heteropolymers. Many studies have concluded that evolutionary selection for rapid and reliable folding to a given structure that is stable at biological…
Previously derived "global" thermodynamic speed limit theorems state that increasing the maximum speed with which a system can evolve between two given probability distributions over its states requires the system to produce more entropy in…
Starting at the mesoscopic level with a general formulation of stochastic thermodynamics in terms of Markov jump processes, we identify the scaling conditions that ensure the emergence of a (typically nonlinear) deterministic dynamics and…
This work presents a general unifying theoretical framework for quantum non-equilibrium systems. It is based on a re-statement of the dynamical problem as one of inferring the distribution of collision events that move a system toward…
The maximum-weight matching problem and the behavior of its energy landscape is numerically investigated. We apply a perturbation method adapted from the analysis of spin glasses. This gives inside into the complexity of the energy…
This paper investigates the thermodynamic evolution of the universe within the framework of a quadratic equation of state (EoS). Building upon the basis of the quadratic EoS model, as a phenomenological extension to dark energy models, we…
This study establishes a universal mechanism for entropy production in isolated quantum systems governed by interactions that induce random-phase fluctuations. By developing a resolvent-based framework, we demonstrate that steady-state…
The accuracy of the energy landscape of silicon systems obtained from various density functional methods, a tight binding scheme and force fields is studied. Quantum Monte Carlo results serve as quasi exact reference values. In addition to…
Entropic Dynamics (ED) is a framework in which Quantum Mechanics is derived as an application of entropic methods of inference. In ED the dynamics of the probability distribution is driven by entropy subject to constraints that are codified…