Calin Mariana, Helth Arne, Gutierrez Moreno Julio J, Bönisch Matthias, Brackmann Varvara, Giebeler Lars, Gemming Thomas, Lekka Christina E, Gebert Annett, Schnettler Reinhard, Eckert Jürgen
IFW Dresden, Institute for Complex Materials, P.O. Box 270116, D-01171 Dresden, Germany.
IFW Dresden, Institute for Complex Materials, P.O. Box 270116, D-01171 Dresden, Germany.
J Mech Behav Biomed Mater. 2014 Nov;39:162-74. doi: 10.1016/j.jmbbm.2014.07.010. Epub 2014 Jul 23.
Recent developments showed that β-type Ti-Nb alloys are good candidates for hard tissue replacement and repair. However, their elastic moduli are still to be further reduced to match Young׳s modulus values of human bone, in order to avoid stress shielding. In the present study, the effect of indium (In) additions on the structural characteristics and elastic modulus of Ti-40 Nb was investigated by experimental and theoretical (ab initio) methods. Several β-type (Ti-40 Nb)-xIn alloys (with x ≤ 5.2 wt%) were produced by cold-crucible casting and subsequent heat treatments (solid solutioning in the β-field followed by water quenching). All studied alloys completely retain the β-phase in the quenched condition. Room temperature mechanical tests revealed ultimate compressive strengths exceeding 770 MPa, large plastic strains (>20%) and a remarkable strain hardening. The addition of up to 5.2 wt% indium leads to a noticeable decrease of the elastic modulus from 69 GPa to 49 GPa, which is closer to that of cortical bone (<30 GPa). Young's modulus is closely related to the bcc lattice stability and bonding characteristics. The presence of In atoms softens the parent bcc crystal lattice, as reflected by a lower elastic modulus and reduced yield strength. Ab initio and XRD data agree that upon In substitution the bcc unit cell volume increases almost linearly. The bonding characteristics of In were studied in detail, focusing on the energies that appeared from the EDOSs significant for possible hybridizations. It came out that minor In additions introduce low energy states with s character that present antibonding features with the Ti first neighboring atoms as well as with the Ti-Nb second neighboring atoms thus weakening the chemical bonds and leading to elastic softening. These results could be of use in the design of low rigidity β-type Ti-alloys with non-toxic additions, suitable for orthopedic applications.
近期的研究进展表明,β型钛铌合金是硬组织置换与修复的理想候选材料。然而,为避免应力屏蔽,其弹性模量仍需进一步降低以匹配人体骨骼的杨氏模量值。在本研究中,通过实验和理论(从头算)方法研究了添加铟(In)对Ti-40 Nb结构特征和弹性模量的影响。采用冷坩埚铸造及后续热处理(在β相区固溶处理后水淬)制备了几种β型(Ti-40 Nb)-xIn合金(x≤5.2 wt%)。所有研究合金在淬火状态下均完全保留β相。室温力学测试表明,其极限抗压强度超过770 MPa,具有较大的塑性应变(>20%)和显著的应变硬化。添加高达5.2 wt%的铟会导致弹性模量从69 GPa显著降至49 GPa,更接近皮质骨的弹性模量(<30 GPa)。杨氏模量与体心立方晶格稳定性和键合特性密切相关。In原子的存在使母相体心立方晶格软化,这表现为弹性模量降低和屈服强度减小。从头算和X射线衍射数据一致表明,In替代后体心立方晶胞体积几乎呈线性增加。详细研究了In的键合特性,重点关注态密度中对可能的杂化有重要意义的能量。结果表明,少量In的添加引入了具有s特征的低能态,这些低能态与Ti的第一近邻原子以及Ti-Nb的第二近邻原子呈现反键特征,从而削弱了化学键并导致弹性软化。这些结果可用于设计添加无毒元素、适合骨科应用的低刚度β型钛合金。