Ab initio study of precipitate stability in an Mg–Zn–Zr–Y alloy and its effects on corrosion, antimicrobial and in vitro biocompatibility
Abstract
DFT study of precipitate stability in an Mg–5Zn–0.5Zr–0.9Y alloy reveals that the Mg 24 Y 5 phase is more stable than the Mg 7 Zn 3 phase. The alloy exhibited excellent antibacterial activity without deteriorating cytocompatibility.
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Increased hydrophobicity reduces attachment of water molecules to the coating surface, and the densified network structure blocks penetration of corrosive ions like Cl−.
“This structural modification is critical for corrosion protection45,46, as increased hydrophobicity reduces the attachment of water molecules to the coating surface, and the densified network structure effectively blocks the penetration of corrosive ions like Cl⁻.”
From Intelligence-responsive wettability switch coating on magnesium implants for treating osteoporotic fracture (2026) · cites this paper as [46]
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References 73 · Cited by 3
- Authors
- Sahoo, S. N., Avula, I., Mandal, S., Pal, S., Balla, V. K., & Roy, M.
- Affiliations
- Indian Institute of Technology Kharagpur (IN)
- Indian Institute of Technology Bhubaneswar (IN)
- Central Glass and Ceramic Research Institute (IN)
- Corresponding author
- Roy, Mangal
- Venue
- Journal of Materials Chemistry B
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2025
- Volume
- 13
- Issue
- 22
- Pages
- 6533-6550
- ISSN
- 2050-750X (ISSN-L)
- 2050-7518
- OpenAlex
- W4410506684
- Cited by
- 3
- References
- 73
- Citations by year
- 2026: 3
- FWCI
- 0.63
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Materials Chemistry B (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Science and Engineering Research Board (SERB-CRG/2020/002818/MMM)
- Topics
- Physical Sciences › Materials Science › Biomaterials › Magnesium Alloys: Properties and Applications
- Physical Sciences › Materials Science › Materials Chemistry › Titanium Alloys Microstructure and Properties
- Health Sciences › Nursing › Nutrition and Dietetics › Magnesium in Health and Disease
- Keywords
- precipitate stability, Mg24Y5 phase, magnesium alloys, corrosion resistance, antibacterial activity, in vitro biocompatibility, yttrium, zinc
- MeSH terms
- Density Functional Theory, Alloys, Animals, Anti-Bacterial Agents, Biocompatible Materials, Corrosion, Escherichia coli, Magnesium, Materials Testing, Microbial Sensitivity Tests, Staphylococcus aureus, Surface Properties, Zinc, Zirconium, Mice
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