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High impact applications, properties and synthesis of exciting new materials
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Physics, chemistry and biology of Soft Matter
Feature Article
J. Mater. Chem., 2006, 16, 1105 - 1112, DOI: 10.1039/b511650c
The challenge of biominerals to simulations
J. H. Harding and D. M. Duffy
Biomaterials are hierarchical systems whose structure and properties represent a major challenge to simulation. We briefly discuss the remarkable experimental data now available both on the structure, formation and properties of biominerals. In the light of this we discuss current attempts to simulate biomaterials at atomic and meso length scales and timescales and the range of physical effects that are important in producing biomaterials. We emphasise the importance of obtaining robust forcefields for these systems and the sensitivity of simulations to the forcefields used. We conclude by suggesting future directions for the field and remaining problems to be solved.
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