Jeong, C. U. Lee, S. -C. Rhee, H. N. Park, K. S. Choi, S. -H. 2024-01-20T09:31:37Z 2024-01-20T09:31:37Z 2021-09-05 2014-07 1598-9623 https://pubs.kist.re.kr/handle/201004/126619 A scale-bridging technique was used to investigate the effect of the elastic properties of beta-Ti alloys on the stress distribution around the femoral stem of an artificial hip joint with a simplified geometry when under an external loading. The anisotropic elastic constants of single-crystalline beta-Ti alloys (TN1: Ti-18.75 at% Nb, TN2: Ti-37.5 at% Nb, and TN3: Ti-43.75 at% Nb) were calculated using an ab-initio technique that was based on density functional theory calculation. The single-crystalline elastic constants calculated via the ab-initio technique were used to calculate the elastic constants of polycrystal beta-Ti alloys using an elastic selfconsistent scheme. Finite element analysis based on the elastic constants of polycrystalline beta-Ti alloys for a femoral stem was conducted to calculate the above-mentioned stress distribution. The model system consisting of a TN1 alloy exhibited a relatively high level of von Mises stress on the surface of cancellous and cortical bones compared to model systems consisting of TN2, TN3 alloys and commercial biomaterials (Ti-6Al-4V alloy and 316STS). The thickness of the cancellous bone between the femoral stem and the cortical bone affected the stress concentration on the surface of the cortical bone. English KOREAN INST METALS MATERIALS FINITE-ELEMENT-ANALYSIS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD AB-INITIO 1ST-PRINCIPLES CALCULATIONS MECHANICAL-PROPERTIES TITANIUM-ALLOYS BASIS-SET BETA-TI BONE Using a scale-bridging technique to determine the effect of elastic properties on stress distribution around the femoral stem of an artificial hip joint with a simplified geometry Article 10.1007/s12540-014-4003-4 1 METALS AND MATERIALS INTERNATIONAL, v.20, no.4, pp.593 - 600 METALS AND MATERIALS INTERNATIONAL 20 4 593 600 scie scopus kci ART001895964 000339957700003 2-s2.0-84905037536 Materials Science, Multidisciplinary Metallurgy & Metallurgical Engineering Materials Science Metallurgy & Metallurgical Engineering Article FINITE-ELEMENT-ANALYSIS TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD AB-INITIO 1ST-PRINCIPLES CALCULATIONS MECHANICAL-PROPERTIES TITANIUM-ALLOYS BASIS-SET BETA-TI BONE Ab-initio alloys elastic self-consistent computer simulation bone