This page introduces books useful for computational materials research by category.

Material Science

1. L.B. Freund and S. Suresh, Thin Film Materials: stress, defect formation, and surface evolution, Cambridge University Press (2003)

2. George E. Dieter, Mechanical Metallurgy, McGrawHill (1988)

3. A.P. Sutton and R.W. Balluffi, Interface in Crystallline Materials, Oxford (2006)

4. L.R.G. Treloar, The Physics of Rubber Elasticity, Oxford (2005)

5. R. W. Hertzberg, R. P. Vinci, and J. L. Hertzberg, Deformation and Fracture Mechanics of Engineering Materials, 5th ed., John Wiley & Sons, Inc. (2013)

Materials Modelling and Simulation

1. Ronald W. Shonkwiler & Franklin Mendivil, Explorations in Monte Carlo Methods, New York, Springer (2009)

2. M. P. Allen & D. J. Tildesley, Computer Simulation of Liquids, Oxford Sci. Publications (2004)

3. Daan Frenkel & Berend Smit, Understanding Molecular Simulation: From Algorithms to Applications, Academic Press, 2nd edi. (2002)

FEM

1. Thomas J. R. Hughes, The Finite Element Method, Dover (1987)

2. Eric B. Becker, Graham F. Carey, J. Tinsley Oden, Finite Elements: An Introduction Vol. I, Prentice-Hall (1981)

Dislocations

1. Vasily V. Bulatov and Wei Cai, Computer Simulations of Dislocations, Oxford Materials (2006)

2. John P. Hirth and Jens Lothe, Theory of Dislocations, Krieger Publishing Company (1992)

3. J.P. Hirth, A Brief History of Dislocation Theory, Metall. Trans. A 16:2085 (1985)

"Examples in nature includes dislocations in block wall lattices, superconducting flux line lattices, cellular eutectics, foam structures, brick walks, corn-cobs, the stripes on a zebra, the eye of a fly, the seeds in a sunflower, virus colonies, spider webs, and so forth."

Optimization

1. Singiresu S. Rao, Engineering Optimization: Theoery and Practice, John Wiley & Sons, Inc., 4th ed. (2009)