PHY 711 Fall 2012 -- Lecture 12 19/24/2012

PHY 711 Classical Mechanics and Mathematical Methods

10-10:50 AM MWF Olin 103

Plan for Lecture 13:Continue reading Chapter 6

Modern example of analysis using Lagrangian and Hamiltonian formalisms

PHY 711 Fall 2012 -- Lecture 12 29/24/2012

PHY 113 A Fall 2012 -- Lecture 12 39/26/2012

PHY 113 A Fall 2012 -- Lecture 12 49/26/2012

PHY 113 A Fall 2012 -- Lecture 12 59/26/2012

PHY 711 Fall 2012 -- Lecture 12 69/24/2012

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PHY 711 Fall 2012 -- Lecture 12 79/24/2012

J. Chem. Physics 72 2384-2393 (1980)

PHY 711 Fall 2012 -- Lecture 12 89/24/2012

“Molecular dynamics” is a subfield of computational physics focused on analyzing the motions of atoms in fluids and solids with the goal of relating the atomistic and macroscopic properties of materials. Ideally molecular dynamics calculations can numerically realize the statistical mechanics viewpoint.

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PHY 711 Fall 2012 -- Lecture 12 99/24/2012

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From this Lagrangian, can find the 3N coupled 2nd order differential equations of motion and/or find the corresponding Hamiltonian, representing the system at constant energy, volume, and particle number N (N,V,E ensemble).

PHY 711 Fall 2012 -- Lecture 12 109/24/2012

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PHY 711 Fall 2012 -- Lecture 12 119/24/2012

H. C. Andersen wanted to adapt the formalism for modeling an (N,V,E) ensemble to one which could model a system at constant pressure (P).

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PHY 711 Fall 2012 -- Lecture 12 129/24/2012

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PHY 711 Fall 2012 -- Lecture 12 139/24/2012

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