Determine the unique constitutive properties of elastoplastic materials from their plastic zone evolution under nanoindentation

X Long, Z Shen, Q Jia, J Li, R Dong, Y Su, X Yang… - Mechanics of …, 2022 - Elsevier
The evolution of the plastic zone underneath the indenter is challenging to be described
during nanoindentation, which is recently known to be crucial to establish a constitutive …

Development of machine learning and empirical interatomic potentials for the binary Zr-Sn system

H Mei, L Chen, F Wang, G Liu, J Hu, W Lin… - Journal of Nuclear …, 2024 - Elsevier
Zirconium alloys are pivotal structural materials in nuclear reactors. Enhancing their
properties and performance necessitates a profound understanding of the interactions …

[HTML][HTML] Energies and structures of Cu/Nb and Cu/W interfaces from density functional theory and semi-empirical calculations

R Bodlos, V Fotopoulos, J Spitaler, AL Shluger… - Materialia, 2022 - Elsevier
Cu/Me multilayer systems, with Me referring to a body-centered cubic (bcc) metal, such as
Nb and W, are widely used for nuclear, electrical, and electronic applications. Despite …

Modeling the high-pressure solid and liquid phases of tin from deep potentials with ab initio accuracy

T Chen, F Yuan, J Liu, H Geng, L Zhang, H Wang… - Physical Review …, 2023 - APS
Constructing an accurate atomistic model for the high-pressure phases of tin (Sn) is
challenging because the properties of Sn are sensitive to pressures. We develop machine …

Machine learning search for stable binary Sn alloys with Na, Ca, Cu, Pd, and Ag

A Thorn, D Gochitashvili, S Kharabadze… - Physical Chemistry …, 2023 - pubs.rsc.org
We present our findings of a large-scale screening for new synthesizable materials in five M–
Sn binaries, M= Na, Ca, Cu, Pd, and Ag. The focus on these systems was motivated by the …

Electromechanical coupling in high-pressured superconducting Nb3Sn: analytical and simulation models

Y He, Z Shi, L Qiao, G Xiao, Z Li, L Yang - International Journal of …, 2022 - Elsevier
Based on molecular dynamics (MD) simulations of Nb 3 Sn crystals under high pressure, a
physics-based trans-scale model of the superconducting transition of high-pressure Nb 3 Sn …

First-principles calculations of structural and elastic properties of Sn solid solution, Cu6Sn5 and SnSb in tin-based bearing alloy

Q Dong, H Wei, H Li, C Liu - Materials Today Communications, 2024 - Elsevier
Tin-based bearing alloy has the microstructure characteristics of hard phases distributed on
the soft solution matrix. The soft solution matrix provides lubrication and embeddability, and …

Diffusion in A15 Nb3Sn: An atomistic study

SH Oh, D Seol, YJ Jeong, SH Na, J Kim, WS Ko… - Acta Materialia, 2022 - Elsevier
Detailed diffusion mechanism in the A15 Nb 3 Sn superconducting compound has been
investigated using an atomistic simulation based on a newly developed interatomic potential …

Insights on grain boundary effects on crack formation and propagation in Nb3Sn coatings at low temperature and high strain rates: a molecular dynamics simulation …

B Zhu, G Xiao, L Yang, L Liu… - … Science and Technology, 2023 - iopscience.iop.org
Abstract Mechanical behavior of Nb 3 Sn coatings is inherently correlated with the anti-
interference ability of the superconducting cavity system and the amplitude and phase …

Atomic behavior of Ti in A15 Nb3Sn and its effects on diffusional growth of Nb3Sn layer

SH Oh, YJ Jeong, SH Na, J Kim, A Zargaran… - Journal of Alloys and …, 2023 - Elsevier
Atomic details of the dramatic increase in the diffusional growth rate of A15 Nb 3 Sn
superconducting compound with Ti addition have been investigated using atomistic …