相关论文: A physics-augmented neural network framework for m…
The ability to understand and engineer molecular structures relies on having accurate descriptions of the energy as a function of atomic coordinates. Here we outline a new paradigm for deriving energy functions of hyperdimensional molecular…
Thermodynamics-informed neural networks employ inductive biases for the enforcement of the first and second principles of thermodynamics. To construct these biases, a metriplectic evolution of the system is assumed. This provides excellent…
Boundary layer turbulence, particularly the vertical fluxes of momentum, shapes the evolution of winds and currents and plays a critical role in weather, climate, and biogeochemical processes. In this work, a unified, data-driven…
Modelling the complex physics of the Interstellar Medium (ISM) in the context of large-scale numerical simulations is a challenging task. A number of methods have been proposed to embed a description of the ISM into different codes. We…
We present a data-driven framework for the modeling of nonlocal heat transport in plasmas using a nonlocal theory informed neural network trained on kinetic Particle-in-Cell simulations that span both local and nonlocal regimes. The model…
Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials to represent intricate potential energy surfaces (PES) with…
The main focus of this paper is to analyze the behavior of a numerical solution of the Timoshenko system coupled with Thermoelasticity and incorporating second sound effects. In order to address this target, we employ the Physics-Informed…
Reynolds-averaged Navier-Stokes (RANS) equations are widely used in engineering turbulent flow simulations. However, RANS predictions may have large discrepancies due to the uncertainties in modeled Reynolds stresses. Recently, Wang et al.…
Porous materials -- natural or engineered -- often exhibit dual pore-network structures that govern processes such as mineral exploration and hydrocarbon recovery from tight shales. Double porosity/permeability (DPP) mathematical models…
The heterogeneous micromechanical properties of biological tissues have profound implications across diverse medical and engineering domains. However, identifying full-field heterogeneous elastic properties of soft materials using…
We describe the development of artificial neural networks (ANN) for the prediction of the properties of ceramic materials. The ceramics studied here include polycrystalline, inorganic, non-metallic materials and are investigated on the…
The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations. In this work, we alleviate this issue by extending…
We study the structure of Fermionic networks, i.e., a model of networks based on the behavior of fermionic gases, and we analyze dynamical processes over them. In this model, particle dynamics have been mapped to the domain of networks,…
Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…
The paper presents a versatile framework for solids which undergo nonisothermal processes with irreversibly changing microstructure at large strains. It outlines rate-type and incremental variational principles for the full thermomechanical…
Physics-Informed Neural Networks (PINNs) provide a framework for integrating physical laws with data. However, their application to Prognostics and Health Management (PHM) remains constrained by the limited uncertainty quantification (UQ)…
A deep neural network was developed for the purpose of predicting thermal conductivity with a case study performed on neutron irradiated nuclear fuel. Traditional thermal conductivity modeling approaches rely on existing theoretical…
Data-driven convective parameterization aims to accurately represent convective adjustments to large-scale forcings in a computationally economic manner. While previous studies have demonstrated success using various model architectures,…
We introduce GlassMLP, a machine learning framework using physics-inspired structural input to predict the long-time dynamics in deeply supercooled liquids. We apply this deep neural network to atomistic models in 2D and 3D. Its performance…
Seismic events, among many other natural hazards, reduce due functionality and exacerbate vulnerability of in-service buildings. Accurate modeling and prediction of building's response subjected to earthquakes makes possible to evaluate…