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The research of innovative methods aimed at reducing costs and shortening the time needed for simulation, going beyond conventional approaches based on Monte Carlo methods, has been sparked by the development of collision simulations at the…
The critical dimension necessary for a flame to propagate in suspensions of fuel particles in oxidizer is studied analytically and numerically. Two types of models are considered: First, a continuum model, wherein the individual particulate…
The physicochemical mechanisms underlying the pyrolysis of n-hexane in a high temperature Ar-H2 environment were investigated for plasma pyrolysis process. An optimal chemical kinetics model was developed using the Reaction Mechanism…
Presented is a quantum computing representation of Dirac particle dynamics. The approach employs an operator splitting method that is an analytically closed-form product decomposition of the unitary evolution operator. This allows the Dirac…
An integrated simulation approach fully based upon particle-in-cell (PIC) model is proposed, which involves both fast particle generation via laser solid-density plasma interaction and transport and energy deposition of the particles in…
We present a study, within a mean-field approach, of the kinetics of the spin-1 Blume-Capel model on cylindrical Ising nanowire in the presence of a time-dependent oscillating external magnetic field. We employ the Glauber transition rates…
In fire spread simulations, heat transfer and pyrolysis are processes to describe the thermal degradation of solid material. In general, the necessary material parameters cannot be directly measured. They are implicitly deduced from micro-…
We consider the basic features of complex dynamical and control systems. Special attention is paid to the problems of synthesis of dynamical models of complex systems, construction of efficient control models, and to the development of…
We analyze a quantum heat engine described by the full Dicke model. The system exhibit quantum phase transitions under certain conditions. We consider the system performing a Stirling thermodynamic cycle. We obtain an enhancement of…
The forthcoming energy transition calls for a new generation of thermal power generation systems with low- or zero-emission and highly flexible operation. Dynamic modelling and simulation is a key enabling factor in this field, as…
This paper discusses the design and implementation of the Modular Pipe Climber inside ASTM D1785 - 15e1 standard pipes [1]. The robot has three tracks which operate independently and are mounted on three modules which are oriented at…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
Molecular dynamics simulation of a generic polymer model is applied to study melts of polymers with different types of intrinsic stiffness. Important static observables of the single chain such as gyration radius or persistence length are…
We recently introduced the dynamical cluster approximation(DCA), a new technique that includes short-ranged dynamical correlations in addition to the local dynamics of the dynamical mean field approximation while preserving causality. The…
We present a new particle-based (discrete element) numerical method for the simulation of granular dynamics, with application to motions of particles on small solar system body and planetary surfaces. The method employs the parallel N-body…
Thermalization of heavy quarks in the quark-gluon plasma (QGP) is one of the most promising phenomena for understanding the strong interaction. The energy loss and momentum broadening at low momentum can be well described by a stochastic…
In dynamic simulation of complete wheel loaders, one interesting aspect, specific for the working task, is the momentary power distribution between drive train and hydraulics, which is balanced by the operator. This paper presents the…
We describe a first-principles statistical mechanics approach enabling us to simulate the steady-state situation of heterogeneous catalysis. In a first step density-functional theory together with transition-state theory is employed to…
The complete flow field surrounding a rotating cylinder is calculated by solving the Navier-Stokes equations using the finite difference method. The numerical simulation is performed on a transformed rectilinear grid, with axes representing…
Complex industrial processes such as the drying of combustible biomass can be modeled with computational fluid dynamics simulations. Due to their complexity, it is not straightforward to use these models for the analysis of system…