Diffusion coefficients and atomic mobilities in fcc Ni–Cu–Mo alloys: Experiment and modeling

Zeng, Yiyu; Liu, Yuling; Min, Qianhui; Wen, Shiyi; Du, Cunbin; Zheng, Zhoushun; Liu, Huixin; Premović, Milena; Wang, Jiong

doi:10.1016/j.calphad.2020.102209

Cited by 13 publications

(2 citation statements)

References 34 publications

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“…Their finds indicated that the diffusion coefficients calculated by the modified Hart's equation agree with the values determined by Sauer-Friese analysis for nanoparticles. Zeng et al [18] used Electron Probe MicroAnalysis to determine the interdiffusion coefficients of fcc Ni-Cu-Mo alloy at temperatures of 1273, 1373, and 1473 K based on the concentration distribution of solid-solid diffusion couples and re-evaluated the kinetic parameters of fcc Ni-Cu-Mo alloy. The atomic mobility of fcc Ni-Cu-Mo alloys were optimized as a function of the temperature and composition by means of CALculation of Thermo-Physical Properties program.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

Sun,

Wang,

et al. 2023

Materials

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The Si atom diffusion behavior in Ni-based superalloys was evaluated based on first-principles calculations. Also, the site occupation of Si atoms as the melting point depressant elements in Cr, Mo, and W atom doped γ-Ni and γ′-Ni3Fe supercells was discussed and Si atom diffusion behaviors between both adjacent octahedral interstices were analyzed. Calculation results indicated that formation enthalpy (∆Hf) was decreased, stability was improved by doping alloying elements Cr, Mo, and W in γ-Ni and γ′-Ni3Fe supercells, Si atoms were more inclined to occupy octahedral interstices and the diffusion energy barrier was increased by increasing the radius of the doped alloy element. Especially, two diffusion paths were available for Si atoms in the γ′-Ni3Fe and Si diffusion energy barrier around the shared Fe atoms between adjacent octahedral interstices and was significantly lower than that around the shared Ni atoms. The increase of interaction strength between the doped M atom/octahedron constituent atom and Si atom increased Si atom diffusion and decreased the diffusion energy barrier. The Si atom diffusion behavior provides a theoretical basis for the phase structure evolution in wide-gap brazed joints.

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Section: Introductionmentioning

confidence: 99%

First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

Sun,

Wang,

et al. 2023

Materials

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“…High-throughput experiments, in general, encompass the highly efficient preparation, characterization and property evaluation of various categories of materials [18][19][20] . Prominent examples include the multitarget co-sputtering method to synthesize gradient multicomponent coatings [21] , the diffusion multivariate method to prepare gradient multicomponent alloys [22] and the combinatorial material characterization approach using an integrated micro-beam X-ray fluorescence and diffraction system to determine the chemical composition and phase constitution of materials simultaneously [23] . Alternatively, highthroughput calculations incorporate simulation methods at different scales, from the atomistic level (e.g., first-principles calculations [24] ), to the microscopic level (e.g., the calculation of phase diagrams [25] and diffusion simulations [26] ), the mesoscopic level (e.g., the phase-field method [27] ) and the macroscopic level (e.g., finite element analysis [28] ).…”

Section: Introductionmentioning

confidence: 99%

Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

Lou¹,

Xu²,

Chen³

et al. 2021

JMI

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The rise of the materials genome and materials informatics has enabled the accelerated development of robust surfaces for harsh service environments in the nuclear, aerospace and marine industries. Accurate information on the phase formation and transformation of materials (particularly coating materials) in synthesis and service processes is a prerequisite for the successful optimization of their properties. However, both these processes proceed under non-equilibrium conditions, making the traditional CALPHAD (CALculation of PHAse Diagrams) approach incapable of describing the phase relation and stability. Hence, this study provides a brief review on the recent research advances pertaining to the phase formation during coating deposition, the phase transformation in service and the materials optimization targeted for demanding working conditions. We also summarize the challenges of expanding phase diagram databases with a wide adaptability to metastable phase formation and non-equilibrium phase transformation in multicomponent systems. Through the elaboration of each research case, this review provides new insights into the surface protection of materials serving in harsh environments.

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Addressing Thermal Stability Challenges in Top‐Emission OLEDs: The Role of Buffer Layer in Preventing Pixel Shrinkage

Ok,

Le,

Son

et al. 2024

Advanced Optical Materials

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This study introduces a strategic buffer layer approach to mitigate thermal‐induced pixel shrinkage in top‐emission organic light‐emitting diodes (TEOLEDs), enhancing both thermal stability and efficiency. A new cathode composed of binary alloy from silver (Ag) and copper (Cu) is developed for their moderately high binding energy, improving film uniformity and boosting optical and electrical performance. High surface energy metals, aluminum (Al) and Cu are employed as buffer layers to regulate the growth mechanism, resulting in an exceptionally smooth cathode film. The optimal device is designed by incorporating a bilayer electron injection layer consisting of lithium fluoride (LiF) and ytterbium (Yb) along with the buffer layer. The TEOLEDs achieved an impressive efficiency of 178 cd A−1 and luminance of 247,000 cd m−2 while demonstrating superior thermal stability, with the absence of cathode shrinkage after 240 h at 85 °C. This stability is attributed to the suppression of thermal diffusion and aggregation, facilitated by the high surface energy buffer layer and innovative cathode compositions employed.

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Diffusion coefficients and atomic mobilities in fcc Ni–Cu–Mo alloys: Experiment and modeling

Cited by 13 publications

References 34 publications

First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

First-Principles Study on Si Atom Diffusion Behavior in Ni-Based Superalloys

Development of robust surfaces for harsh service environments from the perspective of phase formation and transformation

Addressing Thermal Stability Challenges in Top‐Emission OLEDs: The Role of Buffer Layer in Preventing Pixel Shrinkage

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