En route to multi-model scheme for clinker comminution with chemical grinding aids
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In this paper, we propose a Bayesian network framework for managing interactivity between a tour-guide robot and visitors in mass exhibition conditions, through robust interpretation of multi-modal signals. We report on methods and experiments interpreting ...
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Computer simulation, using an ionic, Born-like model, is used to investigate the accommodation of titanium impurities in Ca-Al-Fe-O phases. Specifically, calcium titanate solution in Al2O3, Fe2O3, CF, C2F, CA, C(2)A, C(3)A, and C(4)AF (where C denotes CaO) ...
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Important advances in multi-scale computer simulation techniques for computational materials science have been made in the last decade as scientists and engineers strive to imbue continuum-based models with more-realistic details at quantum and atomistic s ...
Molecular dynamics simulations of the impact of Ag atoms at low energies (20 eV and 95 eV in the direction perpendicular to the surface) on Pd(100) are performed using embedded atom (EAM) potentials. The results are compared with recent helium scattering d ...
A review with 184 refs. The authors review the principles of the Car-Parrinello method for ab initio mol. dynamics (AIMD) simulations by first outlining the foundations of the method based on d. functional theory, plane wave basis sets and pseudopotentials ...
A review. First-principles mol. dynamics (Car-Parrinello) simulations based on d. functional theory have emerged as a powerful tool for the study of phys., chem. and biol. systems. At present, using parallel computers, systems of a few hundreds of atoms ca ...
We first describe the three-dimensional extension of the molecular-dynamics models for granular media simulations. We then discuss the known energy dissipation problem occurring when simulating dense granular media with the usual molecular-dynamics forces ...
