CAJ | 학술논문

在羟基磷灰石多孔支架快速成型制造过程中，为了制造出不易发生断裂的骨支架模型，利用分子动力学模拟方法分别对α-氰基丙烯酸正丁酯和α-氰基丙烯酸正辛酯与羟基磷灰石表面之间的胶粘行为进行研究，重点对其结合能进行了对比，并对羟基磷灰石不同表面的原子密度进行了比较。研究结果表明：在羟基磷灰石（100）、（110）和（111）三个不同剪切面中，聚丙烯酸正丁酯和聚丙烯酸正辛酯均与羟基磷灰石（110）剪切面有较大的结合能；聚丙烯酸正辛酯与羟基磷灰石表面的粘结强度大于聚丙烯酸正丁酯与羟基磷灰石表面的粘结强度。羟基磷灰石多孔陶瓷材料沿（110）方向与粘结剂之间的粘结更稳固，不易产生裂缝及断裂等现象。
재간기린회석다공지가쾌속성형제조과정중，위료제조출불역발생단렬적골지가모형，이용분자동역학모의방법분별대α-청기병희산정정지화α-청기병희산정신지여간기린회석표면지간적효점행위진행연구，중점대기결합능진행료대비，병대간기린회석불동표면적원자밀도진행료비교。연구결과표명：재간기린회석（100）、（110）화（111）삼개불동전절면중，취병희산정정지화취병희산정신지균여간기린회석（110）전절면유교대적결합능；취병희산정신지여간기린회석표면적점결강도대우취병희산정정지여간기린회석표면적점결강도。간기린회석다공도자재료연（110）방향여점결제지간적점결경은고，불역산생렬봉급단렬등현상。
During the prototyping process ,in order to make more stable artificial bone scaffold models for patient ,the interface interaction between the poly-acrylic ester and the hydroxyapatite surface is explored using molecular dynamics (MD) simulations in COMPASS force field .The interaction energy and atom density of different hydroxyapatite surfaces are compared . T he results show that along the (100) ,(110) and (111) three different crystallographical ,the interaction energy of poly-acrylic ester on hydroxyapatite(110) is the highest .The interaction energy between NOCA and hydroxyapatite surface is higher than the case of hydroxyapatite with NBCA on it .