Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model
<jats:title>Abstract</jats:title><jats:p>Dynamic fracture is an important area of materials analysis, assessing the atomic-level mechanisms by which materials fail over time. Here, we focus on brittle materials failure and show that an atomistically derived progressive transformer...
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| Format: | Article |
| Language: | English |
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ASME International
2023
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| Online Access: | https://hdl.handle.net/1721.1/148574 |
| _version_ | 1826216168554233856 |
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| author | Buehler, Markus J |
| author2 | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Civil and Environmental Engineering Buehler, Markus J |
| author_sort | Buehler, Markus J |
| collection | MIT |
| description | <jats:title>Abstract</jats:title><jats:p>Dynamic fracture is an important area of materials analysis, assessing the atomic-level mechanisms by which materials fail over time. Here, we focus on brittle materials failure and show that an atomistically derived progressive transformer diffusion machine learning model can effectively describe the dynamics of fracture, capturing important aspects such as crack dynamics, instabilities, and initiation mechanisms. Trained on a small dataset of atomistic simulations, the model generalizes well and offers a rapid assessment of dynamic fracture mechanisms for complex geometries, expanding well beyond the original set of atomistic simulation results. Various validation cases, progressively more distinct from the data used for training, are presented and analyzed. The validation cases feature distinct geometric details, including microstructures generated by a generative neural network used here to identify novel bio-inspired material designs for mechanical performance. For all cases, the model performs well and captures key aspects of material failure.</jats:p> |
| first_indexed | 2024-09-23T16:43:21Z |
| format | Article |
| id | mit-1721.1/148574 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T16:43:21Z |
| publishDate | 2023 |
| publisher | ASME International |
| record_format | dspace |
| spelling | mit-1721.1/1485742023-03-17T03:01:56Z Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model Buehler, Markus J Massachusetts Institute of Technology. Department of Civil and Environmental Engineering <jats:title>Abstract</jats:title><jats:p>Dynamic fracture is an important area of materials analysis, assessing the atomic-level mechanisms by which materials fail over time. Here, we focus on brittle materials failure and show that an atomistically derived progressive transformer diffusion machine learning model can effectively describe the dynamics of fracture, capturing important aspects such as crack dynamics, instabilities, and initiation mechanisms. Trained on a small dataset of atomistic simulations, the model generalizes well and offers a rapid assessment of dynamic fracture mechanisms for complex geometries, expanding well beyond the original set of atomistic simulation results. Various validation cases, progressively more distinct from the data used for training, are presented and analyzed. The validation cases feature distinct geometric details, including microstructures generated by a generative neural network used here to identify novel bio-inspired material designs for mechanical performance. For all cases, the model performs well and captures key aspects of material failure.</jats:p> 2023-03-16T13:31:49Z 2023-03-16T13:31:49Z 2022 2023-03-16T13:28:55Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/148574 Buehler, Markus J. 2022. "Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model." Journal of Applied Mechanics, 89 (12). en 10.1115/1.4055730 Journal of Applied Mechanics Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. application/pdf ASME International ASME |
| spellingShingle | Buehler, Markus J Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title | Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title_full | Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title_fullStr | Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title_full_unstemmed | Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title_short | Modeling Atomistic Dynamic Fracture Mechanisms Using a Progressive Transformer Diffusion Model |
| title_sort | modeling atomistic dynamic fracture mechanisms using a progressive transformer diffusion model |
| url | https://hdl.handle.net/1721.1/148574 |
| work_keys_str_mv | AT buehlermarkusj modelingatomisticdynamicfracturemechanismsusingaprogressivetransformerdiffusionmodel |