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国家自然科学基金(50971072)

作品数:5 被引量:7H指数:2
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Thermodynamic prediction of metastable phases of Ni-Ti system formed by ion beam mixing被引量:3
2012年
By taking into account the valence electron number and periodic number of constituting metals, a new method is first proposed to calculate the structural enthalpy in the Miedema's model and the modified Miedema's model is then used to predict the formation of metastable phases in Ni-Ti system. To testify the relevance of the present prediction, the multilayered films of Ni1-xTix (x=27.3, 30.5, 42.4, 83.1, 89) are prepared and irradiated by 200 keV xenon ions. Experiment results reveal that uniform amorphous phases are obtained in the Ni72.7Ti27.3, Ni69.5Ti30.5, and Ni57.6Ti42.4 films by increasing the irradiation dose. While for the Ni16.9Ti83.1 and Ni11Ti89 films, an hcp Ti-based solid solution phase and a bcc Ti-rich solid solution phase coexist upon irradiation dose higher than 6×1014 Xe+/cm2. The predictions of relative stabilities of metastable phases in Ni-Ti system by the modified Miedema's model match well with IBM experiments, thus justifying the modification proposed in the present study.
ZHAO ShiZhenLI JiaHaoLIU BaiXin
关键词:亚稳相离子束混合MIEDEMA模型镍钛照射剂量
第一性原理研究Pt-Zr系统中化合物的生成焓/体模量与原子体积的线性相关性(英文)被引量:2
2013年
通过第一性原理的计算方法,研究118种不同结构的Pt-Zr中间化合物,并选取相关的物理性能,如结构稳定性、晶格常数、生成焓、弹性常数以及体模量等进行计算。根据计算得出的生成焓信息,绘制Pt-Zr系统的基态能量曲线。计算得到的物理相关信息为未来的热力学计算和原子尺度模拟提供基础数据。在选取的Pt-Zr化合物中,存在两组线性相关关系:生成焓与原子体积成正线性相关,而体模量与原子体积成负线性相关关系。
白雪李家好戴叶柳百新
关键词:热学性能弹性性能第一性原理计算生成焓
Synthesis of metallic glasses and metallic glass based composites in the Cu-Mo-Hf system by ion beam mixing被引量:1
2012年
Single-phase and dual-phase metallic glasses as well as metallic glass based composites were synthesized in the Cu-Mo-Hf ternary metal system by 200 keV xenon ion beam mixing of far-from-equilibrium. It was found that Mo-Hf-based and Cu-Mo-based single-phase metallic glasses could be obtained at compositions around Cu17Mo20Hf63 and Cu34Mo57Hf9, respectively. Interestingly, at the nearly equal-atomic stoichiometry of Cu38Mo31Hf31, a dual-phase Cu-Mo-Hf metallic glass, consisting both of the Mo-Hf-based and Cu-Mo-based phases, was first obtained at relatively low irradiation doses ranging from (1-5)×1015 Xe+/cm2, and a single-phase metallic glass was eventually obtained at a dose of 7×1015 Xe+/cm2. In addition, two glass-based composites were obtained at the compositions of Cu14Mo62Hf24 and Cu77Mo14Hf9, and they consisted of the Mo-Hf based and Cu-Mo based metallic glasses, dissolved with some uniformly distributed BCC Mo-based and FCC Cu-based crystalline solid solutions, respectively. The formation mechanism of the above described non-equilibrium alloy phases was also discussed in terms of the atomic collision theory.
BAI XueWANG TongLeCUI YuanYuanDING NingLI JiaHaoLIU BaiXin
关键词:离子束混合金属玻璃玻璃基
Non-equilibrium alloy phase formation and transformation driven by ion beam mixing in the Fe-Hf-Nb multilayers被引量:2
2012年
In the ion beam mixing experiments,eight Fe-Hf-Nb multilayered films,with overall compositions of Fe67Hf22Nb11,Fe67Hf11Nb22,Fe54Hf38Nb8,Fe54Hf30Nb16,Fe54Hf11Nb35,Fe25Hf67Nb8,Fe25Hf50Nb25 and Fe25Hf11Nb64,were irradiated by 200 keV xenon ions to doses ranging from 3×1014 Xe+/cm2 to 7×1015 Xe+/cm2.The results showed that unique amorphous phases were obtained at designed alloy compositions,falling in the favored glass-forming region deduced from three binary metal sub-systems.Interestingly,at some alloy compositions,the crystal-amorphous-crystal transformations were observed back and forth while varying the irradiation doses.In addition,at the alloy composition of Fe25Hf67Nb8,a metastable FCC phase was formed through an HCP-FCC structural phase transformation and it had a large lattice constant identified to be a=4.51 .Besides,the formation mechanism of non-equilibrium alloy phases was also discussed in terms of thermodynamics of solids and atomic collision theory.
LI NanWANG TongLeDING NingDAI YeBAI XueLIU BaiXin
关键词:合金相合金成分
Formation of non-equilibrium phases and associated structural transition in the Pd-Ta system induced by ion beam mixing被引量:1
2011年
For the Pd-Ta system characterized by a negative heat of formation of -78 kJ/mol, 200 keV xenon ion beam mixing with nano-sized Pd-Ta multilayered films was conducted to study the non-equilibrium phase formation. The results showed that uniform amorphous alloys can be formed within a composition range of 25 at%-78 at% Ta, which falls in the maximum possible amorphization range of 22 at%-80 at% Ta predicted by the empirical model. Moreover, two metastable crystalline phases both of FCC structure, yet with different lattice constants were obtained. Interestingly, a self-assembled fractal pattern was observed in the Pd52Ta48 multilayered films after irradiation to a dose of 1×1015 Xe+/cm2 and its dimension was determined to be 1.75±0.05. The possible mechanisms for the formation of amorphous and metastable crystalline phases as well as for the growth of the fractal pattern were discussed.
ZHAO Man DAI Ye LI JiaHao LIU BaiXin
关键词:离子束TA非晶合金
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