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高性能β钛合金设计研究进展--从经验试错到集成计算 被引量:1
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作者 朱文光 辛社伟 +2 位作者 吴迪 陈威 张聪惠 《稀有金属材料与工程》 SCIE EI CAS CSCD 北大核心 2021年第6期2229-2236,共8页
随着材料基因组计划(MGI)及集成计算材料工程(ICME)的快速发展,材料设计已经从过去的经验试错法转变为基于数据库、计算模型、高通量实验的集成设计。本文回顾了国内外钛合金的发展历史与合金化思路,发现以Al、Zr、Sn、Mo、V、Cr、Fe多... 随着材料基因组计划(MGI)及集成计算材料工程(ICME)的快速发展,材料设计已经从过去的经验试错法转变为基于数据库、计算模型、高通量实验的集成设计。本文回顾了国内外钛合金的发展历史与合金化思路,发现以Al、Zr、Sn、Mo、V、Cr、Fe多元素复合强化的近合金成为高性能合金发展趋势。在此基础上本文对钛合金的设计方法进行了总结,其中包含基于经验/半经验理论的试错法、Mo当量法、e/a法以及团簇-连接原子模型法和基于基础理论计算的Bo-Md方法和CALPHAD方法。最后,文章对结合第一性原理(ab-initio)、计算热力学(Calphad)、晶体塑性有限元模拟(CP-FEM)的集成计算材料设计方法进行了介绍,并对该方法在钛合金设计中的应用前景进行了展望。 展开更多
关键词 钛合金设计 Mo当量法 团簇-连接原子模型 bo-md 集成计算材料工程(ICME)
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TWIP-assisted Zr alloys for medical applications:Design strategy,mechanical properties and first biocompatibility assessment
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作者 Junhui Tang Hongtao Yang +4 位作者 Bingnan Qian Yufeng Zheng Philippe Vermaut Frédéric Prima Fan Sun 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2024年第17期32-42,共11页
This study proposes a novel strategy for the design of a new family of metastable Zr alloys.These al-loys offer improved mechanical properties for implants,particularly in applications where conventional stainless ste... This study proposes a novel strategy for the design of a new family of metastable Zr alloys.These al-loys offer improved mechanical properties for implants,particularly in applications where conventional stainless steels and Co-Cr alloys are currently used but lack suitability.The design approach is based on the controlled twinning-induced plasticity(TWIP)effect,significantly enhancing the ductility and strain-hardenability of the Zr alloys.In order to draw a“blueprint”for the compositional design of biomedical T WIP(Bio-T WIP)Zr alloys-using only non-toxic elements,the study combines D-electron phase stability calculations(specifically bond order(Bo)and mean d-orbital energy(Md))with a systematic experimental screening of active deformation mechanisms within the Zr-Nb-Sn alloy system.This research aids in ac-curately identifying the TWIP line,which signifies the mechanism shift between TWIP and classic slip as the primary deformation mechanism.To demonstrate the efficacy of the TWIP mechanism in enhancing mechanical properties,Zr-12Nb-2Sn,Zr-13Nb-1Sn,and Zr-14Nb-3Sn alloys are selected.Results indicate that the TWIP mechanism leads to a significant improvement of strain-hardening rate and a uniform elongation of∼20%in Zr-12Nb-2Sn,which displays both{332}<113>mechanical twinning and disloca-tion slip as the primary deformation mechanisms.Conversely,Zr-14Nb-3Sn exhibits the typical mechan-ical properties found in stable body-centered cubic(BCC)alloys,characterized by the sole occurrence of dislocation slip.Cell viability tests confirm the superior biocompatibility of Zr-Nb-based alloys with deformation twins on the surface,in line with existing literature.Based on the whole set of results,a comprehensive design diagram is proposed. 展开更多
关键词 Zr alloys STRAIN-HARDENING Twinning-induced plasticity(TWIP) bo-md diagram BIOCOMPATIBILITY Biomedical materials
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