Related papers: From Data-Driven Models to Physical Insight: Vibra…
We study dynamical properties of systems with many interacting Fermi-particles under the influence of static imperfections. Main attention is payed to the time dependence of the Shannon entropy of wave packets, and to the fidelity of the…
We present example applications of an approach to first-principles calculations of vibrational properties of materials implemented within the Exabyte.io platform. We deploy models based on the Density Functional Perturbation Theory to…
Data-driven approaches offer novel opportunities for improving the performance of turbulent flow simulations, which are critical to wide-ranging applications from wind farms and aerodynamic designs to weather and climate forecasting. While…
Coarse-grained modeling in molecular simulations serves not only to extend accessible time and length scales beyond atomistic limits, but also to reduce high-dimensional chemical data to low-dimensional representations that expose the…
Understanding the electrical and thermal transport properties of materials is critical to the design of electronics, sensors and energy conversion devices. Computational modeling can accurately predict materials properties but, in order to…
In the design of engineered components, rigorous vibration testing is essential for performance validation and identification of resonant frequencies and amplitudes encountered during operation. Performing this evaluation numerically via…
In this paper the relaxed micromorphic continuum model with weighted free and gradient micro-inertia is used to describe the dynamical behavior of a real two-dimensional phononic crystal for a wide range of wavelengths. In particular, a…
Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…
Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…
We develop a geometric foundation of microcanonical thermodynamics in which entropy and its derivatives are determined from the geometry of phase space, rather than being introduced through an a priori ensemble postulate. Once the minimal…
The change of the von Neumann entropy of a set of harmonic oscillators initially in thermal equilibrium and interacting linearly with an externally driven quantum system is computed by adapting the Feynman-Vernon influence functional…
We present a simple model for the turbulent kinetic energy behavior of subsonic plasma turbulence undergoing isotropic three-dimensional compression, such as may exist in various inertial confinement fusion experiments or astrophysical…
In this work, we study the dynamics of complex systems with time-dependent transition rates, focusing on $p$-adic analysis in modeling such systems. Starting from the master equation that governs the stochastic dynamics of a system with a…
This paper presents the development of a new entropy-based feature selection method for identifying and quantifying impacts. Here, impacts are defined as statistically significant differences in spatio-temporal fields when comparing…
The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…
Granular matter is comprised of a large number of particles whose collective behavior determines macroscopic properties such as flow and mechanical strength. A comprehensive theory of the properties of granular matter, therefore, requires a…
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 investigate the thermodynamics of model systems exhibiting two-scale fractal spectra. In particular, we present both analytical and numerical studies on the temperature dependence of the vibrational and electronic specific heats. For…
Medium and high entropy ceramics, with their distinctive disordered structures, exhibit ultra-low thermal conductivity and high temperature stability. These properties make them strong contenders for next generation thermal barrier coating…
Understanding and reasoning about dynamics governed by physical laws through visual observation, akin to human capabilities in the real world, poses significant challenges. Currently, object-centric dynamic simulation methods, which emulate…