Environmental Engineering Reference
In-Depth Information
20. Stillinger, F. H. and Weber, T. A. (1985) Computer simulation of local
order in condensed phases of silicon,
Phys. Rev. B
,
31
,5262-5271.
21. Tersoff, J. (1988) New empirical approach for the structure and energy
of covalent systems,
Phys. Rev. B
,
37
,6991-7000.
22. Tersoff,J.(1989)Modelingsolid-statechemistry:interatomicpotentials
formulticomponent systems,
Phys. Rev. B
,
39
,5566-5568(R).
23. Brenner, D. W. (1990) Empirical potential for hydrocarbons for use in
simulatingthechemicalvapordepositionofdiamondfilms,
Phys.Rev.B
,
42
,9458-9471.
24. Brenner, D. W., Shenderova, O. A., Harrison, J. A., Stuart, S. J., Ni, B., and
Sinnott,S.B.(2002)Asecond-generationreactiveempiricalbondorder
(REBO) potential energy expression for hydrocarbons,
J. Phys. Condens.
Matter
,
14
,783-802.
25. Nose, S. (1984) A unified formulation of the constant temperature
molecular dynamics methods,
J. Chem. Phys.
,
81
,511.
26. Hoover, W. G. (1985) Canonical dynamics: equilibrium phase-space
distributions,
Phys. Rev. A
,
31
,1695-1697.
27. Dhar, A. (2008) Heat transport in low-dimensional systems,
Adv. Phys.
,
57
,457-537.
28. Kubo, R. (1966) The fluctuation-dissipation theorem,
Rep. Prog. Phys.
,
29
,255-284.
29. Holland,M.G.(1963)Analysisoflatticethermalconductivity,
Phys.Rev.
,
132
,2461-2471.
30. Muller-Plathe, F. (1997) A simple nonequilibrium molecular dynamics
method for calculating the thermal conductivity,
J. Chem. Phys.
,
106
,
6082.
31. Ikeshoji, T., and Hafskjold, B. (1994) Nonequilibrium molecular dy-
namics calculation of heat-conduction in liquid and through liquid-gas
interface,
Mol. Phys.
,
81
,251-261.
32. Chen, J., Zhang, G., and Li, B. (2010) Molecular dynamics simulations of
heat conduction in nanostructures: Effect of heat bath,
J. Phys. Soc. Jpn.
,
79
,074604.
33. Jiang, J.-W., Chen, J., Wang, J.-S., and Li, B. (2009) Edge states induce
boundary temperature jump in molecular dynamics simulation of heat
conduction,
Phys. Rev. B
,
80
,052301.
34. Kim, S. Y., and Park, H. S. (2009) The importance of edge effects on the
intrinsic loss mechanisms of graphene nanoresonators,
Nano Lett.,
9
,
969-974.