The challenge of biominerals to simulations

被引:62
作者
Harding, JH [1 ]
Duffy, DM
机构
[1] Univ Sheffield, Dept Mat Engn, Mappin St, Sheffield S1 3JD, S Yorkshire, England
[2] UCL, Dept Phys & Astron, London WC1E 6BT, England
基金
英国工程与自然科学研究理事会;
关键词
D O I
10.1039/b511650c
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:1105 / 1112
页数:8
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