Related papers: A first engineering principles model for dynamical…
An open question of whether phenomenological fluid equations to be used for direct numerical simulation of turbulence are warranted on `first principles' is addressed, and the problem is posed using Klimontovich microscopic density to…
An energy stable finite element scheme within arbitrary Lagrangian Eulerian (ALE) framework is derived for simulating the dynamics of millimetric droplets in contact with solid surfaces. Supporting surfaces considered may exhibit…
We present a first-principles based multiscale modeling approach to heterogeneous catalysis that integrates first-principles kinetic Monte Carlo simulations of the surface reaction chemistry into a fluid dynamical treatment of the…
In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…
A framework for simulation of dynamics of mechanical aggregates has been developed. This framework enables us to build model of aggregate from models of its parts. Framework is a part of universal framework for science and engineering.
Phase-space methods allow one to go beyond the mean-field approximation to simulate the quantum dynamics of interacting fields. Here, we obtain a technique for initializing either Wigner or positive-P phase-space simulations of…
The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as…
We develop a general method for calculating the thermal efficiency of arbitrary thermodynamic cycles defined in the pressure-volume ($p-V$) diagram. To demonstrate how effective our approach is, we calculate the thermal efficiency of ideal…
First-principle modeling of dense hydrogen is crucial in materials and planetary sciences. Despite its apparent simplicity, predicting the ionic and electronic structure of hydrogen is a formidable challenge, and it is connected with the…
Modern modeling languages for general physical systems, such as Modelica, Amesim, or Simscape, rely on Differential Algebraic Equations (DAE), i.e., constraints of the form f(dot{x},x,u)=0. This drastically facilitates modeling from first…
In this paper, we extend and analyze a Bayesian hierarchical spatio-temporal model for physical systems. A novelty is to model the discrepancy between the output of a computer simulator for a physical process and the actual process values…
In the dynamic analysis of structural engineering systems, it is common practice to introduce damping models to reproduce experimentally observed features. These models, for instance Rayleigh damping, account for the damping sources in the…
The controller design of the so-called "difference algebraic equation" (DAE) systems that are frequently shown in industrial processes, tend to be challenging because of the combination of algebraic equations and high state dimensions. In…
Data-driven emulation of nonlinear dynamics is challenging due to long-range skill decay that often produces physically unrealistic outputs. Recent advances in generative modeling aim to address these issues by providing uncertainty…
We propose an efficient method to build a simple discrete element model (DEM) that accurately simulates the oscillation of a continuum beam. The DEM is based on the Timoshenko beam theory of slender cylindrical members and their…
Virtual flow meters, mathematical models predicting production flow rates in petroleum assets, are useful aids in production monitoring and optimization. Mechanistic models based on first-principles are most common, however, data-driven…
Computer simulators can be computationally intensive to run over a large number of input values, as required for optimization and various uncertainty quantification tasks. The standard paradigm for the design and analysis of computer…
The chemistry of an astrophysical environment is closely coupled to its dynamics, the latter often found to be complex. Hence, to properly model these environments a 3D context is necessary. However, solving chemical kinetics within a 3D…
We introduce a framework for developing efficient and interpretable climate emulators (CEs) for economic models of climate change. The paper makes two main contributions. First, we propose a general framework for constructing carbon-cycle…
High-dimensional recordings of dynamical processes are often characterized by a much smaller set of effective variables, evolving on low-dimensional manifolds. Identifying these latent dynamics requires solving two intertwined problems:…