next up previous contents
Next: The code Up: Title Previous: Conclusion

Bibliography

1
M.P. Allen and D.J. Tildesley.
Computer Simulation of Liquids.
Oxford University Press, New York, 1989.

2
H.C. Andersen.
Molecular dynamics simulations at constant pressure and/or temperature.
Journal of Chemical Physics, 72:2384-93, 1980.

3
H.J.C. Berendsen, J.P.M. Postma, W.F. Van Gunsteren, A. Di Nola, and J.R. Haak.
Molecular dynamics systems with coupling to an external bath.
Journal of Chemical Physics, 81:3684-90, 1984.

4
M.S. Daw and M.I. Baskes.
Semiempirical, quantum mechanical calculation of hydrogen embrittlement in metals.
Physical Review Letters, 50(17):1285-8, April 1983.

5
M.S. Daw and M.I. Baskes.
Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals.
Physical Review B, 29(13):6443-53, June 1984.

6
S.M. Foiles, M.I. Baskes, and M.S. Daw.
Embedded-atom-method functions for the fcc metals cu, ag, au, ni, pd, pt, and their alloys.
Physical Review B, 33(12):7983-91, June 1986.

7
I.J. Ford.
Nucleation theorems, the statistical mechanics of molecular clusters, and a revision of classical nucleation theory.
Physicall Review E, 56(5):5615-29, November 1997.

8
C.W. Gear.
The numerical integration of ordinary differential equations of various orders.
Technical Report 7126, Argonne National Laboratory, 1966.

9
C.W. Gear.
Numerical initial value problems in ordinary differential equations.
Prentice-Hall, Englewood Cliffs, NJ, 1971.

10
Brad Lee Holian, Anthony J. De Groot, William G. Hoover, and Carol G. Hoover.
Time-reversible equilibrium and non-equilibrium isothermal-isobaric with centered difference stoermer algorithms.
Physical Review A, 41(8):4552-3, 1990.

11
William G. Hoover.
Canonical dynamics: Equlibrium phase-space distributions.
Physical Review A, 31(3):1695-1697, March 1985.

12
William G. Hoover.
Constant-pressure equations of motion.
Physical Review A, 34(3):2499-500, September 1986.

13
Shuichi Nosé.
A molecular dynamics method for simulations in the canonical ensemble.
Molecular Physics, 52(2):255-68, 1984.

14
Shuichi Nosé and M.L. Klein.
Constant pressure molecular dynamics for molecular systems.
Molecular Physics, 50(5):1055-76, 1983.

15
M. Parrinello and A. Rahman.
Physical Review Letters, 1980.

16
Harald A. Posch, William G. Hoover, and Franz J. Veseley.
Canonical dynamics of the nosé oscillator: Stability, order, and chaos.
Physical Review A, 33(6):4253-65, June 1986.

17
L. Verlet.
Computer 'experiments' on classical fluids i. thermodynamical properties of lennard-jones molecules.
Physical Review, 159:98-103, 1967.