Modified Embedded Atom Method
Modified Embedded Atom Method

Author:

Publisher:

Published: 2012

Total Pages:

ISBN-13:

DOWNLOAD EBOOK

Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

Molecular Dynamics
Molecular Dynamics

Author: Lichang Wang

Publisher: BoD – Books on Demand

Published: 2012-04-05

Total Pages: 440

ISBN-13: 9535104438

DOWNLOAD EBOOK

Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics simulations to solve a wider range of scientific and engineering challenges. The contents illustrate the rapid progress on molecular dynamics simulations in many fields of science and technology, such as nanotechnology, energy research, and biology, due to the advances of new dynamics theories and the extraordinary power of today's computers. This first book begins with a general description of underlying theories of molecular dynamics simulations and provides extensive coverage of molecular dynamics simulations in nanotechnology and energy. Coverage of this book includes: Recent advances of molecular dynamics theory Formation and evolution of nanoparticles of up to 106 atoms Diffusion and dissociation of gas and liquid molecules on silicon, metal, or metal organic frameworks Conductivity of ionic species in solid oxides Ion solvation in liquid mixtures Nuclear structures

The Art of Molecular Dynamics Simulation
The Art of Molecular Dynamics Simulation

Author: D. C. Rapaport

Publisher: Cambridge University Press

Published: 2004-04

Total Pages: 568

ISBN-13: 9780521825689

DOWNLOAD EBOOK

First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.

A Molecular Dynamics Simulation Study of Liquid Metal Targets Using the Embedded Atom Method
A Molecular Dynamics Simulation Study of Liquid Metal Targets Using the Embedded Atom Method

Author: Michael Lee Fisher

Publisher:

Published: 1988

Total Pages: 68

ISBN-13:

DOWNLOAD EBOOK

A molecular dynamics digital simulation was used to investigate the sputtering yields from both liquid and solid metal targets. The system consisted of 1.0 keV Argon ions bombarding Rhodium targets. The embedded atom method of calculating potentials was used with a modified Moliere/Morse potential function. The yields from the solid and liquid targets were compared with the liquid showing a slightly higher yield than the solid. The liquid was simulated by random displacements of the atoms from a solid crystal lattice. Changing the seed, used by the random number generator to produce the liquid, effected the sputtering yield similar to moving the impact point. Four different sampling methods were investigated which produced similar results. Hence, the models described in this thesis should provide a basis for general sputtering simulations of liquids. Simulation, Molecular dynamics, Liquids, Embedded atom method, Theses. (MJM).

C, H, N and O in Si and Characterization and Simulation of Materials and Processes
C, H, N and O in Si and Characterization and Simulation of Materials and Processes

Author: A. Borghesi

Publisher: Newnes

Published: 2012-12-02

Total Pages: 580

ISBN-13: 044459633X

DOWNLOAD EBOOK

Containing over 200 papers, this volume contains the proceedings of two symposia in the E-MRS series. Part I presents a state of the art review of the topic - Carbon, Hydrogen, Nitrogen and Oxygen in Silicon and in Other Elemental Semiconductors. There was strong representation from the industrial laboratories, illustrating that the topic is highly relevant for the semiconductor industry. The second part of the volume deals with a topic which is undergoing a process of convergence with two concerns that are more particularly application oriented. Firstly, the advanced instrumentation which, through the use of atomic force and tunnel microscopies, high resolution electron microscopy and other high precision analysis instruments, now allows for direct access to atomic mechanisms. Secondly, the technological development which in all areas of applications, particularly in the field of microelectronics and microsystems, requires as a result of the miniaturisation race, a precise mastery of the microscopic mechanisms.

Molecular Dynamics Simulation of Nanostructured Materials
Molecular Dynamics Simulation of Nanostructured Materials

Author: Snehanshu Pal

Publisher: CRC Press

Published: 2020-04-28

Total Pages: 334

ISBN-13: 0429672454

DOWNLOAD EBOOK

Molecular dynamics simulation is a significant technique to gain insight into the mechanical behavior of nanostructured (NS) materials and associated underlying deformation mechanisms at the atomic scale. The purpose of this book is to detect and correlate critically current achievements and properly assess the state of the art in the mechanical behavior study of NS material in the perspective of the atomic scale simulation of the deformation process. More precisely, the book aims to provide representative examples of mechanical behavior studies carried out using molecular dynamics simulations, which provide contributory research findings toward progress in the field of NS material technology.