Computer Simulation of Gas-surface Interactions PDF Download
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Author: Valeriu Chirita
Publisher:
ISBN:
Category : Gas dynamics
Languages : en
Pages : 360
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Book Description
Author: Valeriu Chirita
Publisher:
ISBN:
Category : Gas dynamics
Languages : en
Pages : 360
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Book Description
Author: Rand Hampton Childs
Publisher:
ISBN:
Category : Molecular dynamics
Languages : en
Pages : 164
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Author: Baoqi Meng
Publisher:
ISBN:
Category :
Languages : en
Pages : 415
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 27
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Book Description
The interaction of atoms and molecule with surfaces is of great technological relevance. Both advantageous and harmful processes can occur at surfaces. If an atom or molecule impinges on a surface, it can either scatter back into the gas phase or become adsorbed on the surface. Molecules can furthermore undergo chemical reactions at the surface. All these processes are accompanied by energy transfer between the impinging projectile and the substrate. The simulation of the dynamics of the gas-surface interaction still represents a considerable challenge since the coupling of a low-dimensional object, the impinging atom or molecule, to the substrate with in principle infinitely many degrees of freedom has to be modeled. Furthermore, depending on the mass of the atom or molecule, quantum e ects both in the molecular motion as well as in the excitation of the substrate have to be taken into account. In this lecture, the quantum and classical methods required for the simulation of gas-surface dynamical interactions will be reviewed. Furthermore, the main processes occuring in the interaction of atoms and molecules with substrates will be illustrated using quantum calculations and classical molecular dynamics simulations.
Author: Howard Saltsburg
Publisher: Elsevier
ISBN: 1483270637
Category : Science
Languages : en
Pages : 568
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Book Description
Fundamentals of Gas–Surface Interactions presents the study of the surface itself and the study of the gas phase partner of the interaction in which physical or chemical transformation of the gas resulted from that interaction. This book discusses the study of the energy and momentum exchanges resulting from the gas–solid physical interaction in which either gas or solid phase properties can be measured. Organized into three parts encompassing 33 chapters, this book begins with an overview of the different sensitive physical methods for the study of surface topography, surface defects, and surface irregularities to an accuracy of a few Angstroms. This text then reviews the adsorption at very low coverage that has yielded to equilibrium analysis. Other chapters consider the measurement of surface area by adsorption and optical techniques. The final chapter deals with scattering processes including momentum and energy transfer. This book is a valuable resource for engineers.
Author: Alexander V. Bogdanov
Publisher: Springer Science & Business Media
ISBN: 3540588027
Category : Science
Languages : en
Pages : 140
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Book Description
Interface phenomena are most fascinating because of the mixing of different scales and the interference of diverse physical processes. This makes it necessary to use different levels of description: microscopic, kinetic, and gas-dynamical. A unified quasiclassical approach is used to answer practical questions dealing with inelastic gas-surface scattering, the kinetics of adsorption layers, the evolution of inhomogeneities and defects at the surface, the Knudsen layer, the development of boundary conditions on the kinetic and gas-dynamical levels, the determination of exchange and slip coefficients, and so on.
Author: Tengfei Liang
Publisher:
ISBN:
Category : Fluid dynamics
Languages : en
Pages : 111
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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 48
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A systematic technique for obtaining physical reasonable models of gas-surface interaction potentials was employed. A general computer model has been developed to provide realistic, interaction potentials for chemical reactions of gas species on a variety of surface structures. In order to better understand the model interaction potentials a computer program was developed to help probe and characterize the potential energy hypersurfaces. This enabled critical configurations such as equilibrium geometries and saddle points to be located; the program also provided minimum energy pathways for reactions occurring on the metal surfaces. Classical trajectory studies were carried out for models of direct chemical reaction of gas phase species with surfaces and for atomic recombination reactions occurring on the surfaces. The atomic recombination studies dealt with hydrogen and nitrogen atom recombination on Fe and Ta surfaces. These studies showed that the heat inputed into the surface from the atomic recombination reaction can be a significant fraction of the total energy of the heat release of the process. (Author).
Author: Jian Ru Gong
Publisher: BoD – Books on Demand
ISBN: 9533075562
Category : Science
Languages : en
Pages : 390
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Book Description
Graphene, a conceptually new class of materials in condensed-matter physics, has been the interest of many theoretical studies due to the extraordinary thermal, mechanical and electrical properties for a long time. This book is a collection of the recent theoretical work on graphene from many experts, and will help readers to have a thorough and deep understanding in this fast developing field.
Author: David Nicholson
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 424
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Book Description
