Part I Lecture 1 Introduction Mit Opencourseware-Books Pdf

Part I Lecture 1 Introduction MIT OpenCourseWare
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Subject structure and grading scheme, Part I Continuum and particle methods Markus Buehler. Lectures 2 13,Part II Quantum mechanics Jeff Grossman. Lectures 14 26, The two parts are based on one another and will be taught in an integrated. The final grade will be based on,Homework 50 and exams 50. A few things we d like you to remember, The goal is to provide you with an excellent foundation for modeling.
and simulation beyond the applications discussed in IM S. Our goal Discover the world of Modeling and Simulation with you. using a bottom up approach, We will cover multiple scales the atomic scale using Newton s laws. statistical mechanics and quantum mechanics involving electrons as. well as continuum methods, You will be able to apply the knowledge gained in IM S to many other. complex engineering and science problems,Subject content Big picture. Subject provides an introduction to modeling and simulation. Scientists and engineers have long used models to better understand. the system they study for analysis and quantification performance. prediction and design However in recent years due to the advance. of computational power new theories Density Functional Theory. reactive force fields e g ReaxFF and new experimental methods. atomic force microscope optical tweezers etc major advances have. been possible that provide a fundamentally new approach to modeling. materials and structures, This subject will provide you with the relevant theoretical and. numerical tools that are necessary to build models of complex physical. phenomena and to simulate their behavior using computers. The physical system can be a collection of electrons and nuclei core. shells atoms molecules structural elements grains or a. continuum medium As such the methods discussed here are VERY. The lectures will provide an exposure to several areas of application. based on the scientific exploitation of the power of computation. Engineering science paradigm Multi scale,view of materials.
Courtesy of Elsevier Inc 5,http www sciencedirect com. Buehler and Ackbarow Materials Today 2007 Used with permission. Characteristic scale of technology frontier materials. Bridging the scales,production,m Agriculture Building. materials Transistors,Integrated circuits,Industrialization AFM SEM. nm CNTs as electronic,devices Biology,IT revolution nanotech. Bio X revolution, Stone age bronze age semiconductor age nanotechnology.
Fig 1 1 in Buehler Markus J Atomistic Modeling of Materials Failure Springer 2008 Springer All rights reserved. This content is excluded from our Creative Commons license For more information see http ocw mit edu fairuse. Content overview,I Particle and continuum methods Lectures 1 13. 1 Atoms molecules chemistry, 2 Continuum modeling approaches and solution approaches. 3 Statistical mechanics,4 Molecular dynamics Monte Carlo. 5 Visualization and data analysis, 6 Mechanical properties application how things fail and. how to prevent it,7 Multi scale modeling paradigm,8 Biological systems simulation in biophysics how.
proteins work and how to model them,II Quantum mechanical methods Lectures 14 26. 1 It s A Quantum World The Theory of Quantum Mechanics. 2 Quantum Mechanics Practice Makes Perfect,3 The Many Body Problem From Many Body to Single. 4 Quantum modeling of materials,5 From Atoms to Solids. 6 Basic properties of materials,7 Advanced properties of materials. 8 What else can we do,Engineering science paradigm Multi scale.
view of materials,molecular explicitly,continuum matter. resolve molecules atoms,infinitely divisible no,Molecular Dynamics. internal structure,Part I e g finite element,source unknown All rights reserved This. quantum explicitly resolve electrons content is excluded from our Creative 8. Commons license For more information see, e g Density Functional Theory http ocw mit edu fairuse. A few important concepts in modeling and,simulation.
What is the difference between,modeling and simulation. Modeling and simulation,The term modeling refers to the development of a. mathematical representation of a physical situation. On the other hand simulation refers to the procedure of. solving the equations that resulted from model,development. What is a model,Mike Ashby Cambridge University, A model is an idealization Its relationship to the real problem is like that of. the map of the London tube trains to the real tube systems a gross. simplification but one that captures certain essentials. Physical situation Model, Google Inc All rights reserved This content is excluded Massachusetts Bay Transportation Authority All rights 11.
from our Creative Commons license For more information see reserved This content is excluded from our Creative Commons. http ocw mit edu fairuse license For more information see http ocw mit edu fairuse. What is a model,Mike Ashby Cambridge University, The map misrepresents distances and directions but it elegantly. displays the connectivity, The quality or usefulness in a model is measured by its ability to. capture the governing physical features of the problem All. successful models unashamedly distort the inessentials in order to. capture the features that really matter, At worst a model is a concise description of a body of data At best. it captures the essential physics of the problem it illuminates the. principles that underline the key observations and it predicts. behavior under conditions which have not yet been studied. What is a simulation, Simulation refers to the procedure of solving the equations. that resulted from model development, For example numerically solve a set of differential.
equations with different initial boundary conditions. 1 021 3 021 10 333 22 00 Introduction to Modeling and Simulation. Spring 2011,Part I Continuum and particle methods,Introduction part I. Markus J Buehler,Laboratory for Atomistic and Molecular Mechanics. Department of Civil and Environmental Engineering,Massachusetts Institute of Technology. Content overview,I Particle and continuum methods Lectures 2 13. 1 Atoms molecules chemistry, 2 Continuum modeling approaches and solution approaches.
3 Statistical mechanics,4 Molecular dynamics Monte Carlo. 5 Visualization and data analysis, 6 Mechanical properties application how things fail and. how to prevent it,7 Multi scale modeling paradigm,8 Biological systems simulation in biophysics how. proteins work and how to model them,II Quantum mechanical methods Lectures 14 26. 1 It s A Quantum World The Theory of Quantum Mechanics. 2 Quantum Mechanics Practice Makes Perfect,3 The Many Body Problem From Many Body to Single.
4 Quantum modeling of materials,5 From Atoms to Solids. 6 Basic properties of materials,7 Advanced properties of materials.

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