There are successful and standard ways to model materials for macroscopic engineering purposes. Likewise, there are many effective ways for atomic scale modelling, though only for relatively few atoms. But many materials properties of major importance depend on what happens at the mesoscale, where microstructures of ceramics or of teeth or bones, the dislocation engineering of metal alloys, and the spaghetti structures of polymers all have a major influence on performance. We discuss the main issues involved, and how such systems can be modelled effectively.
StonehamA. M. and HardingJ. H.: Nature Mater., 2003,2, 77–83.
4.
AntoniettiM. and OzinG. A.: Chem. Eur. J, 2004, 10, 29–41.
5.
ChoyT. C.: ‘Effective medium theory, principles and applications’: 1999, Oxford, Oxford University Press.
6.
HayesW. and StonehamA. M.: ‘Defects and defect processes in non-metallic solids’: 1985, New York, Wiley.
7.
JainP. K., El-SayedI. H. and El-SayedM. A.: Nano Today, 2007, 2, 18–29.
8.
GovorovA. O. and RichardsonH. H.: Nano Today, 2007,2, 30–38.
9.
EshelbyJ. D.: Proc. Roy. Soc. A, 1975, 241A, 376–396.
10.
DuanH. L., WangJ., HuangZ. P. and KarihalooB. L.: Proc. Roy. Soc. A, 2005, 461A, 3335–3353.
11.
JaglinskiT., KochmannD., StoneD. and LakesR. S.: Science, 2007, 315, 620–622.
12.
HashinZ.: J. Mech. Phys. 1988, 36, 719–734.
13.
DoltsinisI. S., HardingJ. H. and MarcheseM.: Arch Comput. Methods Eng., 1998, 5, 59–166.
14.
CedeIleJ., VardelleM., PateyronB. and FauchaisP.: High. Temp. High Press., 2004, 8, 353–379.
15.
LandauerR.: ‘Electrical transport and optical properties of inhomogeneous media’, (ed.GarlandJ. C. and TannerD. B.), 2-25; 1978, New York, American Institute of Physics.
16.
StonehamA. M., RamosM. M. D., AlmeidaA. M., CorreiaH. M. G., RibeiroR. M., NessH. and FisherA. J.: J. Phys. Conduct Matter, 2002, 14, 9877–9898.
17.
RamosM. M. D. and CorreiaH. M. G.: J. Phys. Conduct. Matter, 2006, 18, S429.
18.
BarbosaH. M. C., RamosM. M. D.: Plasma Process. Polym., 2007, 4, S104.
19.
StonehamA. M. and RamosM. M. D.: J. Phys. Conduct. Matter, 2001, 13, 2411–2424
20.
RauhH. R., StonehamA. M. and ChoyT. C.: ‘Materials modelling: from theory to technology’, (ed. J. Matthews et al), 201-208; 1992, Bristol, Adam Hilger.
21.
BarabasiA.-L. and StanleyH. E.: ‘Fractal concepts in surface growth’: 1995, Cambridge, Cambridge University Press.
22.
ChoyT. C. and StonehamA. M.: J. Phys. Conduct. Matter, 1990, 2, 2867–2871.
LeamyH. J. and DirksA. G.: J. Phys. D, 1977, 10D, L95—L98.
25.
LeamyH. J. and DirksA. G.: J. Appl. Phys. 1978, 49, 3430–3438.
26.
PaikS. M., KimS., SchullerI. K. and RamirezR.: Phys. Rev. B, 1991, 43B, 1843-1846; see D. Moldovan, D. Wolf and S. R. Philpott: Philos. Mag., 2003, 83, 3643-3659 for a recent discussion of this kind of model
27.
DwyerV. M.: J. AppL Phys., 2004, 96, 2914–2922.
28.
TuK. N. : J. AppL Phys., 2003, 94, 5451–5473.
29.
StonehamA. M.: Rep. Prog. Phys., 2007, 70, 1055-1097 discussed by Philip Ball: Nature Mater., 2007, 6, 719.
30.
Vila VerdeA. C., RamosM. M. D. and StonehamA. M.: Phys. Med Biol., 2007, 527, 2703–2717.
MoseleyP. T., StonehamA. M. and WilliamsD. E.: ‘Techniques and mechanisms in gas sensing’, (ed.MoseleyP. T. et al), 108-138; 1991, Bristol, Adam Hilger.
33.
BendsoeM. P. and SigmundO.: Arch Appl. Mech., 1999,69, 635–654.
34.
KirchnerH. O. K., PeterlikH. and MichotG.: Phys. Rev. E, 2004, 69E, Art. 011306 and private communication of Herwig Peterlik with Stoneham.
35.
AnceyC.: Phil. Trans. Roy. Soc. A, 2005, 363A, 1529–1550.
36.
StonehamA. M., HoweA. and ChartT.: ‘Predictive materials modelling’, Report DTI/Pub5344/02/01/NP, URN 01/630, Department of Trade and Industry, Office of Science and Technology, London, 2001.
