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Dealloying of an amorphous TiCuRu alloy results in a nanostructured electrocatalyst for hydrogen evolution reaction
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作者 Jinsen Tian Yuanchao Hu +5 位作者 wenfei lu Jiahua Zhu Xiaodi Liu Jun Shen Gang Wang Jan Schroers 《Carbon Energy》 SCIE CSCD 2023年第8期87-97,共11页
Development of an electrocatalyst that is cheap and has good properties to replace conventional noble metals is important for H_(2) applications.In this study,dealloying of an amorphous Ti_(37)Cu_(60)Ru_(3) alloy was ... Development of an electrocatalyst that is cheap and has good properties to replace conventional noble metals is important for H_(2) applications.In this study,dealloying of an amorphous Ti_(37)Cu_(60)Ru_(3) alloy was performed to prepare a freestanding nanostructured hydrogen evolution reaction(HER)catalyst.The effect of dealloying and addition of Ru to TiCu alloys on the microstructure and HER properties under alkaline conditions was investigated.3 at.%Ru addition in Ti_(40)Cu_(60) decreases the overpotential to reach a current density of 10mA cm^(-2) and Tafel slope of the dealloyed samples to 35 and 34mV dec−1.The improvement of electrocatalytic properties was attributed to the formation of a nanostructure and the modification of the electronic structure of the catalyst.First-principles calculations based on density function theory indicate that Ru decreases the Gibbs free energy of water dissociation.This work presents a method to prepare an efficient electrocatalyst via dealloying of amorphous alloys. 展开更多
关键词 amorphous alloy DEALLOYING first-principles calculations HER TiCuRu
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Heat treatment of hot-isostatic-pressed 60NiTi shape memory alloy:Microstructure,phase transformation and mechanical properties 被引量:1
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作者 Yinghao Zhou Xiyu Yao +4 位作者 wenfei lu Dandan Liang Xiaodi Liu Ming Yan Jun Shen 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2022年第12期124-135,共12页
60NiTi alloy is considered to be a promising material for specialized bearing and gear applications due to its high hardness,strength,and low modulus.However,fabricating 60NiTi through conventional processing methods ... 60NiTi alloy is considered to be a promising material for specialized bearing and gear applications due to its high hardness,strength,and low modulus.However,fabricating 60NiTi through conventional processing methods is challenging due to the brittleness and poor workability.In this study,60NiTi with high relative density was successfully fabricated directly from pre-alloyed powder through hot isostatic pressing.The effects of solution and aging treatments on microstructure and mechanical properties were systematically studied by advanced characterization techniques.The hot-isostatic-pressed 60NiTi showed low average hardness and elastic strain due to the formation of a soft Ni_(3)Ti phase and B2 NiTi matrix.Solution treatment above 1000℃dissolved the Ni_(3)Ti phase and promoted the formation of nanoscale Ni_(4)Ti_(3)precipitates,which significantly improved the hardness,strength,and elastic strain of 60NiTi.The formation of the Ni_(4)Ti_(3) phase can be mainly attributed to the driving forces induced by the chemical supersaturation and mechanical stress concentration.Finally,the phase transformation mechanisms during heat treatment and compression test were discussed. 展开更多
关键词 Ni-rich 60NiTi Hot isostatic pressing Heat treatment Phase transformation Mechanical properties
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机器学习原子运动揭示金属玻璃塑性起源:从热塑性到超声塑性 被引量:1
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作者 刘晓俤 赫全锋 +6 位作者 卢文飞 周子清 田锦森 梁丹丹 马将 杨勇 沈军 《Science China Materials》 SCIE EI CAS CSCD 2022年第7期1952-1962,共11页
金属玻璃具有无序的原子排列,但其结构与动力学并非各处均匀.许多研究证实金属玻璃的结构与动态不均匀性对于其塑性机制至关重要.金属玻璃的"缺陷"被视为结构上疏松排布、动力学上积极响应外界刺激的区域.但迄今仍未建立明确... 金属玻璃具有无序的原子排列,但其结构与动力学并非各处均匀.许多研究证实金属玻璃的结构与动态不均匀性对于其塑性机制至关重要.金属玻璃的"缺陷"被视为结构上疏松排布、动力学上积极响应外界刺激的区域.但迄今仍未建立明确的结构-性能关系来甄别金属玻璃中的类液缺陷.本文中,我们基于模拟原子运动轨迹并结合机器学习提出了一种不依赖于静态结构特征的缺陷.利用k近邻机器学习模型分析并预测了不同温度下的原子运动行为,建立了温度类标签-原子运动特征映射关系.应用这个"机器学习温度"参数理解金属玻璃在应力下的塑性流,识别类液区原子.类液区的演化揭示了金属玻璃塑性的动态起源(包括热塑性和超声塑性),展示了应力诱发的非均匀性和原子局域环境的关联,为热塑性成型和超声加工提供了新见解. 展开更多
关键词 metallic glass PLASTICITY machine learning molecular dynamics simulation
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