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Machine learning-assisted efficient design of Cu-based shape memory alloy with specific phase transition temperature
M Wu, W Yong, C Fu, C Ma, R Liu - International Journal of Minerals …, 2024 - Springer
The martensitic transformation temperature is the basis for the application of shape memory
alloys (SMAs), and the ability to quickly and accurately predict the transformation …
alloys (SMAs), and the ability to quickly and accurately predict the transformation …
Semi-supervised generative approach to chemical disorder: application to point-defect formation in uranium–plutonium mixed oxides
Chemical disorder has a major impact on the characterization of the atomic-scale properties
of highly complex chemical compounds, such as the properties of point defects. Due to the …
of highly complex chemical compounds, such as the properties of point defects. Due to the …
Role of Partial Vacancy and Structural Distortion in the Stability of Nonstoichiometric Phases Ni7−δInSe2–xSx (1.26 ≥ δ ≥ 0.94; 0 ≤ x ≤ 1.33)
This study explores the structure and stability of partly disordered sulfur-substituted Ni5.
74InSe2 (I 4/mmm, a= 3.6766 (1) Å, c= 18.8178 (10) Å, Z= 2). The structure of Ni7–δ InSe2–x …
74InSe2 (I 4/mmm, a= 3.6766 (1) Å, c= 18.8178 (10) Å, Z= 2). The structure of Ni7–δ InSe2–x …
Vacancy-induced pseudogap formation in antiferromagnetic
Structural defects are important for both solid-state chemistry and physics, as they can have
a significant impact on chemical stability and physical properties. Here, we identify a …
a significant impact on chemical stability and physical properties. Here, we identify a …
A theoretical investigation of 18-electron half-Heusler tellurides in terms of potential thermoelectric value
Abstract Half-Heusler tellurides (M IV M VIII Te, where M IV= Ti, Zr, Hf, and M VIII= Fe, Ru,
Os) with 18 valence electrons were the subject of theoretical predictions from first principles …
Os) with 18 valence electrons were the subject of theoretical predictions from first principles …
Ineffectiveness of the triplet diffusion correction in the electron transport of disordered systems
D Gnida - Physical Review B, 2024 - APS
The mystery of the field-independent T 1/2 behavior of resistivity in single-crystal Th 2 CoSi 3
is unraveled through the lens of interacting electrons in disordered systems. Consistent with …
is unraveled through the lens of interacting electrons in disordered systems. Consistent with …
DFT and Monte Carlo simulations of the intermetallic compound MnZnSb
A Azouaoui, S Mouchou, Y Toual, A Rezzouk… - Molecular …, 2024 - Taylor & Francis
The present work aims to investigate the structural, magnetic and electronic properties of
ternary intermetallic MnZnSb using density functional theory (DFT) and Monte Carlo …
ternary intermetallic MnZnSb using density functional theory (DFT) and Monte Carlo …
Semi-supervised generative approach to point-defect formation in chemically disordered compounds: application to uranium-plutonium mixed oxides
Machine-learning methods are nowadays of common use in the field of material science. For
example, they can aid in optimizing the physicochemical properties of new materials, or help …
example, they can aid in optimizing the physicochemical properties of new materials, or help …
机器学**辅助具有特定相变温度的 Cu 基 SMA 高效设计
吴梦玮， 雍维， 付存琴， 马春梅… - International Journal of …, 2024 - ijmmm.ustb.edu.cn
中文摘要马氏体相变温度是形状记忆合金的应用基础, 快速准确预测形状记忆合金转变温度具有
非常重要的实际意义. 本文利用机器学**方法以加速搜索具有特定目标特性(相变温度) …
非常重要的实际意义. 本文利用机器学**方法以加速搜索具有特定目标特性(相变温度) …