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Computer Simulation of Liquids
TitreComputer Simulation of Liquids
Des pages151 Pages
Nom de fichiercomputer-simulation_ENXx2.epub
computer-simulation_CChdC.mp3
Durée54 min 13 seconds
Taille du fichier1,388 KiloByte
QualitéDST 192 kHz
Publié1 year 6 months 26 days ago

Computer Simulation of Liquids

Catégorie: Famille et bien-être, Santé, Forme et Diététique, Manga
Auteur: Ann M. Martin, V. E. Schwab
Éditeur: Lois Lowry
Publié: 2019-11-03
Écrivain: Beth Reekles
Langue: Polonais, Allemand, Tagalog
Format: Livre audio, eBook Kindle
WAX | - Viscosity of liquid Na–K alloys from molecular dynamics simulations ... présentée au « Ulam Computer Simulations Workshop », du 21/06/17 au 24/06/17 à Lviv ...
Bertrand GUILLOT - Chemical potential of triatomic polar liquids: a computer simulation study . Y. Guissani, B. Guillot and F. Sokolic, Chem. Phys. 96, p.271 (1985). Molecular ...
Structural properties of liquid mixture HCl/DCl: a computer simulation analysis - Molecular dynamics calculations have been carried out for HCl/DCl systems at different mole fractions of HCl. The analysis of the radial distribution function shows that the intensity of the first peak increases with dilution. This increase is associated with the preference of HCl molecules to maintain their relative orientation in comparison to that in pure HCl. This interpretation is further enhanced by the analysis of the evolution of both the microscopic mole fraction and the angular distribution function with the mole fractions of HCl.
Sergey Semenov - Ingénieur Docteur en modélisation - SIMTEC | LinkedIn - Voir le profil de Sergey Semenov sur LinkedIn, le plus grand réseau professionnel mondial. Sergey a 8 postes sur son profil. Consultez le profil complet sur LinkedIn et découvrez les relations de Sergey, ainsi que des emplois dans des entreprises similaires.
- Computer Simulation of Liquids: Second Edition - Allen, Michael P., Tildesley, Dominic J. - Livres - Computer Simulation of Liquids: Second Edition
– Andrea Saverio Ninarello , Computer simulations of supercooled liquids near the experimental glass transition - La compréhension du mécanisme de la formation du verre est l'un des importants problèmes ouverts en recherche sur la matière condensée. De nombreuses questions restent sans réponse, en raison d'une énorme augmentation des temps de relaxation pendant le processus de refroidissement qui ne permet pas l'exploration des propriétés d'équilibre des liquides surfondus à très basses températures. Les simulations numériques des liquides surfondus sont actuellement en mesure d'atteindre l'équilibre à des températures comparables à la température du crossover de la théorie de couplages de modes, qui est bien supérieure à la température de transition vitreuse expérimentale. En conséquence, les simulations plus lentes que les expériences pour équilibrer un liquide surfondu par un facteur d'environ huit ordres de grandeur. Les progrès réalisés pour combler cet écart ont été lents et résultent essentiellement d'améliorations de l'architecture des ordinateurs. Dans cette thèse, nous résol
Computer simulations of ionic liquids at electrochemical interfaces. - Ionic liquids are widely used as electrolytes in electrochemical devices. In this context, many experimental and theoretical approaches have been recently developed for characterizing their interface with electrodes. In this perspective article, we review the most recent advances in the field of computer simulations (mainly molecular dynamics). A methodology for simulating electrodes at constant electrical potential is presented. Several types of electrode geometries have been investigated by many groups in order to model planar, corrugated and porous materials and we summarize the results obtained in terms of the structure of the liquids. This structure governs the quantity of charge which can be stored at the surface of the electrode for a given applied potential, which is the relevant quantity for the highly topical use of ionic liquids in supercapacitors (also known as electrochemical double-layer capacitors). A key feature, which was also shown by atomic force microscopy and surface force apparatus exper
Computer simulations of supercooled liquids near the experimental glass transition - 28 Nov 2018 ... exploration of equilibrium properties of supercooled liquids at very low temperature. Computer simulations of glass-forming liquids are ...
Elasticity, viscoelasticity, and glass transition of model systems by computer simulation - Elasticity, viscoelasticity and glass transitions of glass-forming liquids and model solids are investigated by computer simulations at equilibrium using the stress fluctuation formalism. The models systems studied include Lennard-Jones systems at two and three dimensions, a binary mixture of Lennard-Jones (LJ) particles constituting the two-dimensional version of the well known glass-former Kob-Andersen model (KA2d model), a AB13 binary mixture of repulsive particles and a ternary mixture of hard spheres. Our studies aim mainly at the effect of the temperature T on the mechanical properties of the systems under investigation, with special focus on phase transitions such as the crystallization, or the glass transition. Our results are presented in two parts, namely static properties and time-dependent properties. The static properties we studied are essentially the shear modulus G and the bulk modulus K. Using molecular dynamics simulations provided by the LAMMPS code, we characterized G and K of the glass-fo
- Computer Simulation of Liquids - Allen, M. P., Tildesley, D. J. - Livres - Computer Simulation of Liquids
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