Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States
Herein, the stress-state dependence of fracture entropy for a polyamide 6 material is investigated through molecular dynamics simulations. Although previous research suggests that a constant entropy increase can be universally applied for the definition of material fracture, the dependence of stress...
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-04-01
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| Series: | Materials |
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| Online Access: | https://www.mdpi.com/1996-1944/14/8/1884 |
| _version_ | 1797538175055298560 |
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| author | Naohiro Takase Jun Koyanagi Kazuki Mori Takenobu Sakai |
| author_facet | Naohiro Takase Jun Koyanagi Kazuki Mori Takenobu Sakai |
| author_sort | Naohiro Takase |
| collection | DOAJ |
| description | Herein, the stress-state dependence of fracture entropy for a polyamide 6 material is investigated through molecular dynamics simulations. Although previous research suggests that a constant entropy increase can be universally applied for the definition of material fracture, the dependence of stress triaxiality has not yet been discussed. In this study, entropy values are evaluated by molecular dynamics simulations with varied combined stress states. The calculation is implemented using the 570,000 all-atom model. Similar entropy values are obtained independently of stress triaxiality. This study also reveals the relationship between material damage, which is correlated with void size, and the entropy value. |
| first_indexed | 2024-03-10T12:26:48Z |
| format | Article |
| id | doaj.art-2e7422178b964a41b2c466071fe74c39 |
| institution | Directory Open Access Journal |
| issn | 1996-1944 |
| language | English |
| last_indexed | 2024-03-10T12:26:48Z |
| publishDate | 2021-04-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Materials |
| spelling | doaj.art-2e7422178b964a41b2c466071fe74c392023-11-21T14:57:34ZengMDPI AGMaterials1996-19442021-04-01148188410.3390/ma14081884Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress StatesNaohiro Takase0Jun Koyanagi1Kazuki Mori2Takenobu Sakai3Department of Materials Science and Technology, Graduate School of Tokyo University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585, JapanDepartment of Materials Science and Technology, University of Science, 6-3-1 Niijuku, Katsushika-ku, Tokyo 125-8585, JapanItochu Techno-Solutions Corporation, Art Village Osaki Central Tower, 1-2-2, Osaki, Shinagawa-ku, Tokyo 141-8522, JapanDepartment of Mechanical Engineering, Saitama University, Shimo-Okubo, Sakura-ku, Saitama 338-8570, JapanHerein, the stress-state dependence of fracture entropy for a polyamide 6 material is investigated through molecular dynamics simulations. Although previous research suggests that a constant entropy increase can be universally applied for the definition of material fracture, the dependence of stress triaxiality has not yet been discussed. In this study, entropy values are evaluated by molecular dynamics simulations with varied combined stress states. The calculation is implemented using the 570,000 all-atom model. Similar entropy values are obtained independently of stress triaxiality. This study also reveals the relationship between material damage, which is correlated with void size, and the entropy value.https://www.mdpi.com/1996-1944/14/8/1884molecular dynamicsentropytensile failurestress triaxialityvoid |
| spellingShingle | Naohiro Takase Jun Koyanagi Kazuki Mori Takenobu Sakai Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States Materials molecular dynamics entropy tensile failure stress triaxiality void |
| title | Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States |
| title_full | Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States |
| title_fullStr | Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States |
| title_full_unstemmed | Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States |
| title_short | Molecular Dynamics Simulation for Evaluating Fracture Entropy of a Polymer Material under Various Combined Stress States |
| title_sort | molecular dynamics simulation for evaluating fracture entropy of a polymer material under various combined stress states |
| topic | molecular dynamics entropy tensile failure stress triaxiality void |
| url | https://www.mdpi.com/1996-1944/14/8/1884 |
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