Monte Carlo Simulation Of Atomic Diffusion
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Monte Carlo Simulation Of Atomic Diffusion Gold Into Silicon
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Author : Poovanaesvaran P.
language : en
Publisher:
Release Date : 2006
Monte Carlo Simulation Of Atomic Diffusion Gold Into Silicon written by Poovanaesvaran P. and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006 with categories.
Monte Carlo Simulation Of Atomic Diffusion
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Author : Poovanaesvaran Paramaesvaran
language : en
Publisher:
Release Date : 2004
Monte Carlo Simulation Of Atomic Diffusion written by Poovanaesvaran Paramaesvaran and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2004 with Diffusion categories.
Monte Carlo Simulation Of Atomic Diffusion In Si And Gaas Via Vacancies And Interstitials
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Author : Uwe Schmid
language : en
Publisher:
Release Date : 1988
Monte Carlo Simulation Of Atomic Diffusion In Si And Gaas Via Vacancies And Interstitials written by Uwe Schmid and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with Diffusion categories.
A computer simulation program, which runs efficiently on micro-computers, for the diffusion of point defects in the diamond and zincblende structure was developed. The simulated point defects comprise vacancies, host or impurity interstitials on any of three types of interstitials sites, and impurities. Diffusion via vacancy first and second neighbor hopping, the Frank-Turnbull (vacancy-interstitial) and the kick-out (host-impurityinterstitial) mechanism are simulated. The program is entirely controlled by the user, who may simulate various diffusion models with different parameters, such as activation energies and bond energies. Thus, the evolution of an initial defect configuration as fed to the program - can be monitored in space and time, giving insight into the simulated model. The program was applied to the diffusion of Au into Si. It gave U-shaped profiles, similar to those observed, for both of the previously proposed models, a simple Frank-Turnbull and a simple kick-out hypothesis. These ignore any effects due to the charge states of the various species, variation of the Fermi level across the sample and throughout the process, and any effect due to electron-hole recombination enhancement of the process together with the variation of the minority carrier lifetime as a result of this process. Whereas the data of the simple Frank-Turnbull could be fitted to a complementary error function, the kick-out yielded an exponential profile close to the surface. Neither of the models could account for the right time dependence of the central gold concentration, which is known experimentally to be a square root law. It can be concluded that neither suggested model contains the physics required to explain the experimental data.
Simulation Of Atomic Diffusion In The Fcc Nial System
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Author :
language : en
Publisher:
Release Date : 2015
Simulation Of Atomic Diffusion In The Fcc Nial System written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015 with categories.
The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out for the purpose of understanding the predicted trends.
Monte Carlo Simulation Of Atom Diffusion Via Vacancies In Nanofilms
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Author :
language : en
Publisher:
Release Date : 2009
Monte Carlo Simulation Of Atom Diffusion Via Vacancies In Nanofilms written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with categories.
Monte Carlo Diffusion Studies
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Author : D.J. Fisher
language : en
Publisher: Trans Tech Publications Ltd
Release Date : 2015-02-13
Monte Carlo Diffusion Studies written by D.J. Fisher and has been published by Trans Tech Publications Ltd this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-02-13 with Technology & Engineering categories.
The Monte Carlo method, largely the brainchild of Stanislaw Ulam and first implemented by John von Neumann, depends upon the use of digital computers and is therefore very much a product of post-WW2 technological developments; even though one could argue that the Buffons Needle estimate was an ancestor of the technique. The probabilistic nature of the method makes it a good choice for modeling those physical phenomena which involve similarly random motions at the atomic scale; a particularly good example being that of mass diffusion. The present volume comprises a compilation of selected Monte Carlo studies of diffusion in borides, carbides, diamond, graphene, graphite, hydrides, ice, metals, oxides, semiconductors, sulfides, zeolites and other materials. General aspects of diffusion are also covered. The 516 entries cover the period from 1966 to 2014.
Monte Carlo Simulation Studies Of Diffusion Coefficients And Mobilities For Ionic Swarm Drifting In Atomic And Molecular Gases
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Author : Minmei Li
language : en
Publisher:
Release Date : 1996
Monte Carlo Simulation Studies Of Diffusion Coefficients And Mobilities For Ionic Swarm Drifting In Atomic And Molecular Gases written by Minmei Li and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996 with Electron transport categories.
Quantum Monte Carlo Programming
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Author : Wolfgang Schattke
language : en
Publisher: John Wiley & Sons
Release Date : 2013-08-30
Quantum Monte Carlo Programming written by Wolfgang Schattke and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-08-30 with Science categories.
Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum-Monte-Carlo (VQMC) scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. Several intermediate steps cover the Hydrogen molecule, how to deal with a two electron systems, going over to three electrons, and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The exmples in the field of VQMC are followed by the subject of diffusion Monte-Calro (DMC) which covers a common example, the harmonic ascillator. The book is unique as it provides both theory and numerical programs. It includes rather practical advices to do what is usually described in a theoretical textbook, and presents in more detail the physical understanding of what the manual of a code usually promises as result. Detailed derivations can be found at the appendix, and the references are chosen with respect to their use for specifying details or getting an deeper understanding . The authors address an introductory readership in condensed matter physics, computational phyiscs, chemistry and materials science. As the text is intended to open the reader's view towards various possibilities of choices of computing schemes connected with the method of QMC, it might also become a welcome literature for researchers who would like to know more about QMC methods. The book is accompanied with a collection of programs, routines, and data. To download the codes, please follow http://www.wiley-vch.de/books/sample/3527408517_codes.tar.gz
Fundamental Studies Of Atomic Diffusion By Computer Simulation Of Atomic Processes On The Giga Event Scale And Multiple Pc S In Parallel
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Author : Qiongshan Zhang
language : en
Publisher:
Release Date : 1992
Fundamental Studies Of Atomic Diffusion By Computer Simulation Of Atomic Processes On The Giga Event Scale And Multiple Pc S In Parallel written by Qiongshan Zhang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Diffusion categories.
The classic treatment of diffusion by Einstein and by Chandrasekhar assumed conservative boundary conditions; mobile species were neither created nor destroyed on the sample surface. It is normal to assume that vacancies and host interstitials are created and annihilated on incoherent interfaces or free surfaces; i.e., these are assumed to be perfect sources and sinks. Impurities may also be gained or lost at an interface. It seems that no analytic solutions are available for diffusion with annihilating boundary conditions. In this thesis, the author presents massive data obtained by giga event Monte Carlo simulation of the macro-consequence of atomic level assumptions using VIDSIM, a computer simulation program for the simulation of point defect diffusion and interaction in diamond and zinc-blend structure crystals. The author contrasts these results with the error function complement (ERFC) forms obtained with conservative boundary conditions. An empirical formula is proposed with the help of DF_FIT, a fitting program developed by the author to conduct the statistical analysis and fitting the experimental data to certain functions typical for diffusion processes. Investigations on the redistributions of impurities in an atomiclayer- doped (ALD) host materials such as Si is reported. Asymmetric diffusion of ALD impurities is observed and demonstrated.
Monte Carlo Research Series
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Author : U.S. Atomic Energy Commission
language : en
Publisher:
Release Date : 1958
Monte Carlo Research Series written by U.S. Atomic Energy Commission and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1958 with categories.