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| 1 | Formation of coherent, core-shelled nano-particles in dilute Al-Sc-Zr alloys from the first-principles显示文摘We present a systematic first-principles based study on the formation of coherent L12-phase nanoparticles in dilute Al-Sc-Zr alloys.Bulk structures and properties,solute substitution,interface formation energies,and interfacial coherent strains are all calculated.Nucleation modeling and relevant energetic calculations are performed on various possible structures of L12-phase nano-precipitates,i.e.individual L12-Al3Sc and L12-Al3Zr,homogeneous L12-Al3(ScxZr1-x)and the core-shelled L12-Al3Sc(Al3Zr)and L12-Al3Zr(Al3Sc).The following insights are obtained.Matrix-dissolved Sc or Zr strongly prefers to substitute the X sublattice sites in L12-Al3X(X=Zr or Sc),while the inter-substitution between L12-Al3Sc and Al3Zr is only weakly feasible.The cube-on-cube orientation with the(100)/(100)contacting facets is the most energy favored for the Al/Al3Sc(L12),Al/Al3Zr(L12)and Al3Sc(L12)/Al3Zr(L12)interfaces.All these interfaces are highly coherent,with fairly low formation energy.And particularly,the Al3Sc(L12)/Al3Zr(L12)interface has essentially zero formation energy.Ternary L12-Al3(ScxZr1-x)precipitates tend to form a Al3Sc-based core and Al3Zr-based shell structure,with a relatively sharp inner interface of Al3Sc(L12)/Al3Zr(L12).This core-shelled structure becomes energetically more favorable for the particle size R>1–2 nm.The potential influence of the Sc/Zr ratio and temperature on the relative stabilities of L12-phases in Al is also evaluated and discussed. | Chaomin Zhang Yong Jiang Fuhua Cao Tao Hu Yiren Wang Dengfeng Yin | 2019 | Journal of Materials Science & Technology2019，35，5： | 8 |
| 2 | Chemical inhomogeneity inhibits grain boundary fracture:A comparative study in CrCoNi medium entropy alloy显示文摘Grain boundary(GB)fracture is arguably one of the most important reasons for the catastrophic failure of ductile polycrystalline materials.It is of interest to explore the role of chemical distribution on GB defor-mation and fracture,as GB segregation becomes a key strategy for tailoring GB properties.Here we report that the inhomogeneous chemical distribution effectively inhibits GB fracture in a model CoCrNi medium entropy alloy compared to a so-called‘average-atom’sample.Atomic deformation kinematics combined with electronic behavior analysis reveals that the strong charge redistribution ability in chemical disor-dered CrCoNi GBs enhances shear deformation and thus prevents GB crack formation and propagation.Inspects on the GBs with different chemical components and chemical distributions suggest that not only disordered chemical distribution but also sufficient“harmonic elements”with large electronic flexibility contribute to improving the GB fracture resistance.This study provides new insight into the influence mechanism of GB chemistry on fracture behavior,and yields a systematic strategy and criterion,from the atoms and electrons level,forward in the design of high-performance materials with enhanced GB fracture resistance. | Fuhua Cao Yan Chen Hai-Ying Wang Lan-Hong Dai | 2023 | Journal of Materials Science & Technology2023，，22： | 0 |
| 3 | Optimization of Supercritical Extraction Process of Laoshan Black Tea by Response Surface Methodology显示文摘[Objectives]Laoshan black tea was subjected to supercritical CO_(2) extraction. [Methods]The extraction conditions of Laoshan black tea were studied by an orthogonal experiment and optimized by response surface methodology. [Results] The optimum extraction conditions of black tea extract by supercritical CO_(2) extraction were as follows: extraction pressure 23.53 MPa, extraction time 1.73 h, and extraction temperature 49.75 ℃, with which the extract yield could reach 5.15% theoretically. [Conclusions] Based on the traditional extraction process, a supercritical extraction method optimized by response surface methodology and a unique extraction process were formed, which enriches the extraction processes and methods of natural raw materials. | Yongxin LIU Zhiguang LIU Zengyu WANG Shuai ZHANG Guofeng YU Jianhong SUN Shoutao CAO Qiulin LIU Xulun WEI Cuishu LENG Fuhua MA Xuegang LI Yinlong WANG Shoujie NIE | 2023 | Agricultural Biotechnology2023，12，1： | 0 |
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