3.021J | Spring 2012 | Undergraduate

Introduction to Modeling and Simulation

Assignments

This page contains suggested readings for the assignments in Part I, and the problem sets for Part II of this course. The assignments for Part I are not available. Note that Part I materials are as taught the previous year.

ASSIGNMENTS READINGS
Part I
Assignment 1 readings

Vlachos, D., L. Schmidt, et al. “Structures of Small Metal Clusters. I. Low Temperature Behavior.” Journal of Chemical Physics 96, no. 9 (1992): 6880–90.

Sanchez, J., et al. “Modeling of γ/γ′ Phase Equilibrium in the Nickel-Aluminum System.” Acta Metallurgica 32, no. 9 (1984): 1519–25.

Assignment 2 readings

Sen, D., and M. Buehler. “Chemical Complexity in Mechanical Deformation of Metals.” International Journal for Multiscale Computational Engineering 5, no. 3 and 4 (2007): 181–202.

Buehler, M., et al. “Multi-Paradigm Modeling of Fracture of a Silicon Single Crystal Under Mode II Shear Loading.” J_ournal of Algorithms & Computational Technology_ 2, no. 2 (2008): 203–21.

Buehler, M., et al. “Multiparadigm Modeling of Dynamical Crack Propagation in Silicon Using a Reactive Force Field.” _Physical Review Letter_s 96, no. 9 (2006).

Buehler, M., et al. “Threshold Crack Speed Controls Dynamical Fracture of Silicon Single Crystals.” Physical Review Letters 99, no. 16 (2007).

Assignment 3 readings

Gautieri, A., et al. “Hierarchical Structure and Nanomechanics of Collagen Microfibrils from the Atomistic Scale Up.” Nano Letters 11, no. 2 (2011): 757–66.

Qin, Z., et al. “Hierarchical Structure Controls Nanomechanical Properties of Vimentin Intermediate Filaments.” PLOS ONE 4, no. 10 (2009).

ASSIGNMENTS ADDITIONAL MATERIALS
Part II
Assignment 4 (PDF)  
Assignment 5 (PDF)

Fuel 1: fuel1-cis.xyz (XYZ), fuel1-trans.xyz (XYZ)

Fuel 2: fuel2-cis.xyz (XYZ), fuel2-trans.xyz (XYZ)

Solar spectrum data: thesun.xlsx (XLS), (PDF)

Assignment 6 (PDF)