원문정보
Study on the DOS/Overlapping Electron Density and Density-Elastic Modulus Correlation Analysis of β-Ti-Based Ti-M (M=Zr, Ag, Au, Cu) Alloys
초록
영어
This study investigated the influence of alloying elements on the elastic modulus variation of titanium alloys and conducted theoretical density calculations, yielding the following conclusions. In Ti-M (M=Zr, Ag, Au, and Cu) alloys, the Md value ranges from 2.89325 to 11.1530, and the Bo value ranges from 2.30180 to 3.22978. Ti-Zr alloys are most suitable as optimal dental implant materials in terms of electronic structural stability and strength. Ti–Au and Ti–Ag primarily contribute to biocompatibility, corrosion resistance, and antibacterial performance, while offering less benefit for mechanical strengthening. Ti-Cu, while having low structural stability, exhibits excellent antibacterial functionality and is therefore worthy of consideration as a supplementary alloying element. The physical properties of ‑titanium–based Ti–M binary alloys have been examined, and future research will focus on extending the study to ternary and quaternary titanium alloy systems.
목차
1. 서론
2. 재료 및 방법
2.1 밀도 계산법
2.2 DV-X 클러스터에 의한 d-전자 에너지 준위와 결합 차수 계산
3. 결과 및 고찰
3.1 각 원소의 밀도와 탄성계수
3.2 타이타늄 합금에 대한 평균 d-전자에너지 준위(Md)와 평균 결합차수(Bo)
3.3 합금 원소의 결정구조, 밴드 구조 및 밀도 상태(DOS)
4. 결론
후기
References
