Stability maps to predict anomalous ductility in B2 materials
While most B2 materials are brittle, a new class of B2 (rare-earth) intermetallic compounds is observed to have large ductility. We analytically derive a necessary condition for ductility (dislocation motion) involving ⟨111⟩ versus ⟨001⟩ slip and the relative stability of various planar defects that...
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| Format: | Article |
| Language: | en_US |
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American Physical Society
2014
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| Online Access: | http://hdl.handle.net/1721.1/88789 https://orcid.org/0000-0002-6833-3480 |
| _version_ | 1826205634939322368 |
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| author | Sun, Ruoshi Johnson, D. |
| author2 | Massachusetts Institute of Technology. Department of Materials Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Materials Science and Engineering Sun, Ruoshi Johnson, D. |
| author_sort | Sun, Ruoshi |
| collection | MIT |
| description | While most B2 materials are brittle, a new class of B2 (rare-earth) intermetallic compounds is observed to have large ductility. We analytically derive a necessary condition for ductility (dislocation motion) involving ⟨111⟩ versus ⟨001⟩ slip and the relative stability of various planar defects that must form. We present a sufficient condition for antiphase boundary bistability on {1[bar over 1]0} and {11[bar over 2]} planes that allows multiple slip systems. From these energy-based criteria, we construct two stability maps for B2 ductility that use only dimensionless ratios of elastic constants and defect energies, calculated via density functional theory. These two conditions fully explain and predict enhanced ductility (or lack thereof) for B2 systems. In the 23 systems studied, the ductility of YAg, ScAg, ScAu, and ScPd, ductile-to-brittle crossover for other rare-earth B2 compounds, and brittleness of all classic B2 alloys and ionic compounds are correctly predicted. |
| first_indexed | 2024-09-23T13:16:12Z |
| format | Article |
| id | mit-1721.1/88789 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T13:16:12Z |
| publishDate | 2014 |
| publisher | American Physical Society |
| record_format | dspace |
| spelling | mit-1721.1/887892022-09-28T13:03:30Z Stability maps to predict anomalous ductility in B2 materials Sun, Ruoshi Johnson, D. Massachusetts Institute of Technology. Department of Materials Science and Engineering Sun, Ruoshi While most B2 materials are brittle, a new class of B2 (rare-earth) intermetallic compounds is observed to have large ductility. We analytically derive a necessary condition for ductility (dislocation motion) involving ⟨111⟩ versus ⟨001⟩ slip and the relative stability of various planar defects that must form. We present a sufficient condition for antiphase boundary bistability on {1[bar over 1]0} and {11[bar over 2]} planes that allows multiple slip systems. From these energy-based criteria, we construct two stability maps for B2 ductility that use only dimensionless ratios of elastic constants and defect energies, calculated via density functional theory. These two conditions fully explain and predict enhanced ductility (or lack thereof) for B2 systems. In the 23 systems studied, the ductility of YAg, ScAg, ScAu, and ScPd, ductile-to-brittle crossover for other rare-earth B2 compounds, and brittleness of all classic B2 alloys and ionic compounds are correctly predicted. United States. Dept. of Energy. Division of Materials Sciences and Engineering (Grant DEFG02-03ER46026) 2014-08-19T14:51:55Z 2014-08-19T14:51:55Z 2013-03 2013-03 Article http://purl.org/eprint/type/JournalArticle 1098-0121 1550-235X http://hdl.handle.net/1721.1/88789 Sun, Ruoshi, and D. Johnson. “Stability Maps to Predict Anomalous Ductility in B2 Materials.” Phys. Rev. B 87, no. 10 (March 2013). © 2013 American Physical Society https://orcid.org/0000-0002-6833-3480 en_US http://dx.doi.org/10.1103/PhysRevB.87.104107 Physical Review B 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 American Physical Society American Physical Society |
| spellingShingle | Sun, Ruoshi Johnson, D. Stability maps to predict anomalous ductility in B2 materials |
| title | Stability maps to predict anomalous ductility in B2 materials |
| title_full | Stability maps to predict anomalous ductility in B2 materials |
| title_fullStr | Stability maps to predict anomalous ductility in B2 materials |
| title_full_unstemmed | Stability maps to predict anomalous ductility in B2 materials |
| title_short | Stability maps to predict anomalous ductility in B2 materials |
| title_sort | stability maps to predict anomalous ductility in b2 materials |
| url | http://hdl.handle.net/1721.1/88789 https://orcid.org/0000-0002-6833-3480 |
| work_keys_str_mv | AT sunruoshi stabilitymapstopredictanomalousductilityinb2materials AT johnsond stabilitymapstopredictanomalousductilityinb2materials |