CAJ | 학술논문

基于HA/PLA复合材料可以在很大程度上实现 HA与PLA两者的优势互补,有望成为一种理想的骨替换材料。运用分子动力学(MD)方法,从分子理论的角度研究了羟基磷灰石(HA)的3个晶面(001)、(100)、(110)分别与聚乳酸(PLA)相互作用后混合体系的结合能,并对(110)晶面径向分布函数和力学性能进行了计算分析。结果表明,3晶面所对应结合能大小为 HA(110)>HA(100)>HA(001)；其相互作用主要源自PLA中的O 原子分别与HA中的H 原子形成的氢键以及 Oa1-Ca之间形成了离子键；PLA 组分能够对 HA的力学性能起到明显的加强作用,且 HA/PLA混合体系在各个方向的力学性能较单组分 HA更为接近,从而克服了因材料各向异性而导致的缺陷。
기우HA/PLA복합재료가이재흔대정도상실현 HA여PLA량자적우세호보,유망성위일충이상적골체환재료。운용분자동역학(MD)방법,종분자이론적각도연구료간기린회석(HA)적3개정면(001)、(100)、(110)분별여취유산(PLA)상호작용후혼합체계적결합능,병대(110)정면경향분포함수화역학성능진행료계산분석。결과표명,3정면소대응결합능대소위 HA(110)>HA(100)>HA(001)；기상호작용주요원자PLA중적O 원자분별여HA중적H 원자형성적경건이급 Oa1-Ca지간형성료리자건；PLA 조분능구대 HA적역학성능기도명현적가강작용,차 HA/PLA혼합체계재각개방향적역학성능교단조분 HA경위접근,종이극복료인재료각향이성이도치적결함。
HA/PLA composite material can realize the complementary advantages in the very great degree,was expected to become an ideal bone replacement material.In this paper,molecular dynamics simulation was ap-plied to investigate the binding energy of PLA on HA crystallographic planes (001),(100)and (110),and then the mechanical properties and radial distribution function of the HA(110)/PLA mixed system were calculated and analyzed.The results show that HA (110)has the highest binding energy with these polymers because of its higher planar atom density than that of HA (001)and (100).By calculating the radial distribution function, the interface interaction and its essence of the HA(110)/PLA were elucidated.There was a strong interaction between HA crystallographic plane (110)and PLA,it was mainly derived from the hydrogen bonds between O atoms of PLA and H atoms in HA crystal.The PLA component plays a significant role in strengthening the mechanical properties of HA.And the mechanical properties of HA/PLA in each direction was closer than sin-gle component HA,thus overcoming the defects caused due to the anisotropy of the material.