First-principles calculations of strengthening compounds in magnesium alloy: a general review

Y Liu, H Ren, WC Hu, DJ Li, XQ Zeng, KG Wang… - Journal of Materials …, 2016 - Elsevier
First-principles computation methods play an important role in developing and designing
new magnesium alloys. In this article, we present an overview of the first-principles modeling …

Effect of alloying elements on the γ'antiphase boundary energy in Ni-base superalloys

M Dodaran, AH Ettefagh, SM Guo, MM Khonsari… - Intermetallics, 2020 - Elsevier
Mechanical and fatigue performance of γ-γ′ Ni-base superalloys are strongly affected by
the antiphase boundary energy (APBE) of the γ′ precipitates which, in turn, is dictated by …

[HTML][HTML] Effect of external electric field on diffusivity and flash sintering of 8YSZ: a molecular dynamics study

W Xu, A Maksymenko, S Hasan, JJ Meléndez… - Acta Materialia, 2021 - Elsevier
The atomistic structural modification and ionic diffusivity in 8YSZ at elevated temperature
with the presence of an external electric field (E-field) were investigated by molecular …

Hydrogen trapping, desorption and clustering in heterophase interfaces of W-ZrC alloy

Y Zhang, X Li, Y Xu, Y Lei, Z Xie, X Wang, Q Fang… - Acta Materialia, 2023 - Elsevier
Understanding the interaction of hydrogen (H) with defects has been recognized as a central
aspect in hydrogen-induced damages in metals. In this work, the role of coherent and semi …

Synchrotron tomographic quantification of the influence of Zn concentration on dendritic growth in Mg-Zn alloys

S Shuai, E Guo, J Wang, AB Phillion, T Jing, Z Ren… - Acta Materialia, 2018 - Elsevier
Dendritic microstructural evolution during the solidification of Mg-Zn alloys was investigated
as a function of Zn concentration using in situ synchrotron X-ray tomography. We reveal that …

Extremely thin interlayer of multi-element intermetallic compound between Sn-based solders and FeCoNiMn high-entropy alloy

YA Shen, SW Chen, HZ Chen, CM Chang… - Applied Surface …, 2021 - Elsevier
We examined the interfacial reactions between Sn–3.0 Ag–0.5 Cu (SAC305)
alloy/FeCoNiMn (FCNM) high-entropy alloy (HEA) and Sn–58Bi (SB58)/FCNM. FCNM …

[HTML][HTML] An atomistic study of deformation mechanisms in metal matrix nanocomposite materials

MS Hasan, G Berkeley, K Polifrone, W Xu - Materials Today …, 2022 - Elsevier
With nanoscale reinforcements resulting in a high density of matrix/reinforcer interfaces,
metal matrix nanocomposite (MMNC) materials behave differently from their micro …

Insight into interface cohesion and impurity-induced embrittlement in carbide dispersion strengthen tungsten from first principles

X Wu, X Zhang, ZM Xie, X Li, CR Miranda… - Journal of Nuclear …, 2020 - Elsevier
The fundamental understanding of interface properties is crucial in materials design and
lifetime predictions. In this work, the stability, adhesion and impurity-induced embrittlement …

Nano-crystal domains in Co-based fcc (111) epitaxial magnetic junctions and their impact on tunnel magnetoresistance

C He, K Masuda, J Song, T Scheike, Z Wen, Y Miura… - Acta Materialia, 2023 - Elsevier
Nano-crystal domain structures formed in a MgO barrier and their effects on tunnel
magnetoresistance (TMR) in epitaxial fcc-Co 90 Fe 10 (CoFe)(111)/MgO (111)/CoFe (111) …

Comparative study of Ti and Cr adhesion to the AlN ceramic: Experiments and calculations

S Zhang, W Jin, H Yang, K Gao, X Pang, L Yan… - Applied Surface …, 2018 - Elsevier
In this manuscript, ceramic substrates with different adhesion layers were prepared by the
direct-plated-copper (DPC) method. Microstructure and mechanical properties were …