| contributor author | Wang, Xudong | |
| contributor author | Benabou, Lahouari | |
| date accessioned | 2019-02-28T10:59:06Z | |
| date available | 2019-02-28T10:59:06Z | |
| date copyright | 8/9/2017 12:00:00 AM | |
| date issued | 2018 | |
| identifier issn | 0094-4289 | |
| identifier other | mats_140_01_011008.pdf | |
| identifier uri | http://yetl.yabesh.ir/yetl1/handle/yetl/4251429 | |
| description abstract | Grain boundary (GB) embrittlement by sulfur in fcc CuΣ5(012)[100] symmetrical tilt grain boundary (STGB) is simulated by first-principles calculations. The surface and grain boundary segregation energies are estimated by progressively placing solute atoms in the potential segregation sites in the boundaries. Based on the calculated segregation energies, the cohesive energy of the grain boundary is evaluated as a function of the sulfur atoms concentration. It is found that, when a two atomic layers’ concentration is attained, the cohesive energy is reduced by one order of magnitude compared to its value for the clean grain boundary. | |
| publisher | The American Society of Mechanical Engineers (ASME) | |
| title | First-Principles Investigation of Intergranular Fracture in Copper by Grain Boundary Segregation of Sulfur | |
| type | Journal Paper | |
| journal volume | 140 | |
| journal issue | 1 | |
| journal title | Journal of Engineering Materials and Technology | |
| identifier doi | 10.1115/1.4037274 | |
| journal fristpage | 11008 | |
| journal lastpage | 011008-5 | |
| tree | Journal of Engineering Materials and Technology:;2018:;volume 140:;issue 001 | |
| contenttype | Fulltext | |