Results 1 to 10 of about 5,397 (162)
Atomistic Assessment of Solute-Solute Interactions during Grain Boundary Segregation [PDF]
Nanomaterials, 2021 Grain boundary solute segregation is becoming increasingly common as a means of stabilizing nanocrystalline alloys. Thermodynamic models for grain boundary segregation have recently revealed the need for spectral information, i.e., the full distribution ...
Thomas P. Matson, Christopher A. Schuh
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Applied Thermodynamics: Grain Boundary Segregation [PDF]
Entropy, 2014 Chemical composition of interfaces—free surfaces and grain boundaries—is generally described by the Langmuir–McLean segregation isotherm controlled by Gibbs energy of segregation.
Pavel Lejček +3 more
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The Significance of Entropy in Grain Boundary Segregation [PDF]
Materials, 2019 The role of entropy in materials science is demonstrated in this report in order to establish its importance for the example of solute segregation at the grain boundaries of bcc iron. We show that substantial differences in grain boundary chemistry arise if their composition is calculated with or without consideration of the entropic term.
Pavel Lejček +2 more
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Learning grain boundary segregation energy spectra in polycrystals [PDF]
Nature Communications, 2020 Predicting segregation energies of alloy systems can be challenging even for a single grain boundary. Here the authors propose a machine-learning framework, which maps the local environments on a distribution of segregation energies, to predict ...
Malik Wagih +2 more
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Journal of Magnesium and AlloysLow-alloyed magnesium (Mg) alloys have emerged as one of the most promising candidates for lightweight materials. However, their further application potential has been hampered by limitations such as low strength, poor plasticity at room temperature, and
Zhi Zhang +4 more
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Nuclear Materials and Energy, 2023 First-principles calculations have been performed to investigate the effect of segregation of transmutation helium and lithium atoms on the strength of beryllium {101̄1} grain boundary.
Yinlong Wang +5 more
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Entropy-Driven Grain Boundary Segregation: Prediction of the Phenomenon
Metals, 2021 The question is formulated as to whether entropy-driven grain boundary segregation can exist. Such a phenomenon would be based on the assumption that a solute can segregate at the grain boundary sites that exhibit positive segregation energy (enthalpy ...
Pavel Lejček, Siegfried Hofmann
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Materials & Design, 2022 The role of alloying element segregation at grain boundary on the microstructure and mechanical properties is investigated in the case of Ca, Ce, and Nd addition in Mg-1Zn (wt.%) alloy.
Xiaoying Qian +12 more
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Journal of Materials Research and Technology, 2023 By employing high-throughput first-principles calculations, the segregation capacity of fifteen widely used metallic alloying elements (viz., Be, Mn, Co, Cr, Ni, Al, Mo, W, Mg, Ta, Nb, Sb, Sn, Zr, and Bi) at ∑3 grain boundary in low alloy ferritic steel,
Mengmeng Yang +8 more
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On Agreement of Experimental Data and Calculated Results in Grain Boundary Segregation
Metals, 2022 There are two sources of quantitative data on grain boundary segregation: careful experimental results and calculated data. These values can be compared in various ways. Here we show a comparison of average concentrations of silicon, vanadium, and tin at
Miroslav Černý +3 more
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