文章信息/Info

Title:

Key Material Genome of Titanium Alloys and Application of High Throughput Experiment and Computation

作者:

孫巧艷1; 杜勇2; 劉立斌2; 胡青苗3; 肖林1; 孫軍1

1.西安交通大學(xué) 金屬材料強(qiáng)度國家重點(diǎn)實(shí)驗(yàn)室，陜西 西安 710049 2.中南大學(xué) 粉末冶金國家重點(diǎn)實(shí)驗(yàn)室，湖南 長沙 410083 3.中國科學(xué)院金屬研究所 沈陽材料科學(xué)國家實(shí)驗(yàn)室，遼寧 沈陽 110016

Author(s):

SUN Qiaoyan1;  DU Yong2;  LIU Libin2;  HU Qingmiao3;  XIAO Lin1;  SUN Jun1

1.State Key Laboratory for Mechanical Behavior of Materials, Xi’an Jiaotong University, Xi’an 710049, China 2.State Key Laboratory for Powder Metallurgy, Central South University, Changsha 410083, China 3.Institute of Metal Research, Chinese Academy of Sciences, Shenyang National Laboratory for Materials Science, Shenyang 110016, China

關(guān)鍵詞:

鈦合金; 高通量實(shí)驗(yàn)與計(jì)算; 微觀組織; 力學(xué)性能; 材料基因

Keywords:

titanium alloys;  high throughput experiments and computation;  microstructure;  mechanical properties;  materials genome

DOI:

10.7502/j.issn.1674-3962.2018.04.07

文獻(xiàn)標(biāo)志碼:

A

摘要:

加快高性能鈦合金的研發(fā)速度、降低研發(fā)成本對(duì)我國高端裝備制造至關(guān)重要。作為關(guān)鍵結(jié)構(gòu)材料，強(qiáng)度、塑性與韌性是保障鈦合金構(gòu)件安全運(yùn)行的關(guān)鍵力學(xué)性能指標(biāo)。通過高通量計(jì)算可預(yù)測合金的模量、比熱、熱膨脹系數(shù)等多種物理性能指標(biāo)，但是對(duì)于強(qiáng)度、塑性與韌性等力學(xué)性能指標(biāo)尚缺少預(yù)測模型和公式，原因是力學(xué)性能間接依賴合金的化學(xué)成分，直接影響力學(xué)性能的因素是合金的微觀組織。高性能鈦合金的關(guān)鍵“基因”是成分、相/組織結(jié)構(gòu)與晶體缺陷。高通量計(jì)算和擴(kuò)散多元節(jié)建立合金成分與相的對(duì)應(yīng)關(guān)系，相場動(dòng)力學(xué)計(jì)算與模擬實(shí)現(xiàn)對(duì)相與微觀組織演化的預(yù)測，通過微納尺度力學(xué)性能測試技術(shù)獲得微觀組織結(jié)構(gòu)的力學(xué)性能數(shù)據(jù)。期望通過以上各環(huán)節(jié)研究結(jié)果與數(shù)據(jù)的有機(jī)整合，建立鈦合金成分、相與微觀組織、力學(xué)性能數(shù)據(jù)庫，有助于提升高性能鈦合金的研發(fā)速度，滿足我國關(guān)鍵技術(shù)領(lǐng)域?qū)ο冗M(jìn)鈦合金的需求。

Abstract:

To accelerate researching new�瞭ype titanium alloys with improved mechanical properties and to lower cost at the same time are very important for the advanced equipments of our country. As structural material, strength, ductility and toughness are key factors for performance of structural parts. Some physical properties, such as elastic modulus, heat conductivity, diffusion coefficient, thermal expansion coefficient and specific heat, have been calculated or measured with high�瞭hroughput computation and experiments. However, mechanical properties, such as strength, ductility and toughness, cannot be calculated with computational methods due to lack of models and enough data. The mechanical properties are much more dependent on microstructures than compositions. Therefore, the key genes for advanced titanium alloys are compositions, phases/microstructures and defects of crystals. The relationship between chemical composition and phase can be founded with first�瞤rinciples calculation, and dependence of phase on composition can be measured with diffusion�瞞ultiple approach efficiently. Microstructural evolution can be predicted with phase�瞗ield models. The mechanical properties of individual unit of microstructures can be measured with nano�瞞echanical methods, such as nano indentation and compressive or tensile methods. The above results and data should be integrated into database for titanium alloys and be used to accelerate researching new�瞭ype titanium alloys to meet great needs of advanced titanium alloys in key industrial fields of our country.