Related papers: From Data-Driven Models to Physical Insight: Vibra…
Entropy production (EP) is a key quantity in thermodynamics, and yet measuring EP has remained a challenging task. Here we introduce an EP estimator, called multidimensional entropic bound (MEB), utilizing an ensemble of trajectories…
Sound is an information-rich medium that captures dynamic physical events. This work presents STReSSD, a framework that uses sound to bridge the simulation-to-reality gap for stochastic dynamics, demonstrated for the canonical case of a…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly…
In quantum physics, two prototypical model systems stand out due to their wide range of applications. These are the two-level system (TLS) and the harmonic oscillator. The former is often an ideal model for confined charge or spin systems…
A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…
We propose utilizing entropy as a diagnostic tool to distinguish between constant and dynamical dark energy models. Entropy, a measure of the system's disorder or information content, captures the complexity and evolution of the universe.…
We present here a theoretical method to determine the phononic contribution to the thermal conductance of nanoscale systems in the phase-coherent regime. Our approach makes use of classical molecular dynamics (MD) simulations to calculate…
We introduce an exactly solvable lattice model that reveals a universal finite-size scaling law for configurational entropy driven purely by geometry. Using exact enumeration via Burnside's lemma, we compute the entropy for diverse 1D, 2D,…
Any system that models the world under finite representational capacity must compress; any compression entails a prior; and the prior is the system's bias. What has not been established is whether uncertainty participates in the dynamics…
Entropy is useful in statistical problems as a measure of irreversibility, randomness, mixing, dispersion, and number of microstates. However, there remains ambiguity over the precise mathematical formulation of entropy, generalized beyond…
This chapter concerns "control volume analysis", the standard engineering tool for the analysis of flow systems, and its application to entropy balance calculations. Firstly, the principles of control volume analysis are enunciated and…
We combine a conventional harmonic analysis of vibrations in a one-atomic model glass of soft spheres with a Voronoi-Delaunay geometrical analysis of the structure. ``Structure potentials'' (tetragonality, sphericity or perfectness) are…
The Boson peak (BP), an excess of vibrational density of states, is ubiquitous for amorphous materials and is believed to hold the key to understanding the dynamics of glass and glass transition. Previous studies have established an energy…
Beta-PtO2 is a useful transition metal dioxide, but its fundamental thermodynamic and elastic properties remain unexplored. Using first-principles calculations, we systematically studied the structure, phonon, thermodynamic and elastic…
Machine learning has demonstrated great power in materials design, discovery, and property prediction. However, despite the success of machine learning in predicting discrete properties, challenges remain for continuous property prediction.…
The response of a vibrating beam to a force depends on many physical parameters including those determined by material properties. Damage caused by fatigue or cracks result in local reductions in stiffness parameters and may drastically…
High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density…
We study the measure of complexity in solid Argon system from the time series data of kinetic energy of single Argon atoms at different equilibrated temperatures. To account the inherent multi-scale dependence of the complexity, the…
In this work, we apply information theory inspired methods to quantify changes in daily activity patterns. We use in-home movement monitoring data and show how they can help indicate the occurrence of healthcare-related events. Three…