First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications
The excellent shape memory effect and biocompatibility of TiNi alloys have revolutionized the scientific and industrial communities, particularly in biomedical applications. These materials can undergo major or quasi-plastic deformation before returning to their original form when subjected to exter...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2024-01-01
|
| Series: | MATEC Web of Conferences |
| Online Access: | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02007.pdf |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1850109453583515648 |
|---|---|
| author | Mathews Thabiso Madigoe Mandy Modiba Rosinah Sithole Enoch |
| author_facet | Mathews Thabiso Madigoe Mandy Modiba Rosinah Sithole Enoch |
| author_sort | Mathews Thabiso |
| collection | DOAJ |
| description | The excellent shape memory effect and biocompatibility of TiNi alloys have revolutionized the scientific and industrial communities, particularly in biomedical applications. These materials can undergo major or quasi-plastic deformation before returning to their original form when subjected to external stimuli like stress or temperature. However, nickel has been shown to be carcinogenic, it may lead to cytotoxicity which can result in infections, follow-up issues, or implant failure. The aim of this study is to improve the biocompatibility of TiNi by substituting Ni with Nb employing the first principle approach. The structural and elastic properties of the TiNi- Nb alloy were investigated using the CASTEP code embedded in Materials Studio. The findings indicated that Ti8Ni4Nb4's formation energy had increased. The poisons ratio decreased slightly, reaching a value of 0.32 in line with the G/B findings. Increasing Nb content also lowered the density of states at the Fermi levels. It was found that Ti8Ni4Nb4 was the most suitable substitute for TiNi alloys. |
| format | Article |
| id | doaj-art-4c90079baecf4103a721e2dd116246d9 |
| institution | OA Journals |
| issn | 2261-236X |
| language | English |
| publishDate | 2024-01-01 |
| publisher | EDP Sciences |
| record_format | Article |
| series | MATEC Web of Conferences |
| spelling | doaj-art-4c90079baecf4103a721e2dd116246d92025-08-20T02:38:05ZengEDP SciencesMATEC Web of Conferences2261-236X2024-01-014060200710.1051/matecconf/202440602007matecconf_rapdasa2024_02007First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applicationsMathews Thabiso0Madigoe Mandy1Modiba Rosinah2Sithole Enoch3Department of Physics, Sefako Makgatho Health Sciences UniversityManufacturing Cluster, Advanced Materials EngineeringDepartment of Physics, Sefako Makgatho Health Sciences UniversityDepartment of Physics, Sefako Makgatho Health Sciences UniversityThe excellent shape memory effect and biocompatibility of TiNi alloys have revolutionized the scientific and industrial communities, particularly in biomedical applications. These materials can undergo major or quasi-plastic deformation before returning to their original form when subjected to external stimuli like stress or temperature. However, nickel has been shown to be carcinogenic, it may lead to cytotoxicity which can result in infections, follow-up issues, or implant failure. The aim of this study is to improve the biocompatibility of TiNi by substituting Ni with Nb employing the first principle approach. The structural and elastic properties of the TiNi- Nb alloy were investigated using the CASTEP code embedded in Materials Studio. The findings indicated that Ti8Ni4Nb4's formation energy had increased. The poisons ratio decreased slightly, reaching a value of 0.32 in line with the G/B findings. Increasing Nb content also lowered the density of states at the Fermi levels. It was found that Ti8Ni4Nb4 was the most suitable substitute for TiNi alloys.https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02007.pdf |
| spellingShingle | Mathews Thabiso Madigoe Mandy Modiba Rosinah Sithole Enoch First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications MATEC Web of Conferences |
| title | First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications |
| title_full | First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications |
| title_fullStr | First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications |
| title_full_unstemmed | First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications |
| title_short | First-principle study of Ti50Ni50-xNbx shape memory alloys for biomedical applications |
| title_sort | first principle study of ti50ni50 xnbx shape memory alloys for biomedical applications |
| url | https://www.matec-conferences.org/articles/matecconf/pdf/2024/18/matecconf_rapdasa2024_02007.pdf |
| work_keys_str_mv | AT mathewsthabiso firstprinciplestudyofti50ni50xnbxshapememoryalloysforbiomedicalapplications AT madigoemandy firstprinciplestudyofti50ni50xnbxshapememoryalloysforbiomedicalapplications AT modibarosinah firstprinciplestudyofti50ni50xnbxshapememoryalloysforbiomedicalapplications AT sitholeenoch firstprinciplestudyofti50ni50xnbxshapememoryalloysforbiomedicalapplications |