The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit

التفاصيل البيبلوغرافية
العنوان: The structure and migration of heavily irradiated grain boundaries and dislocations in Ni in the athermal limit
المؤلفون: Chesser, Ian, Derlet, Peter M., Mishra, Avanish, Paguaga, Sarah, Mathew, Nithin, Dang, Khanh, Uberuaga, Blas Pedro, Hunter, Abigail, Fensin, Saryu
سنة النشر: 2024
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Materials Science
الوصف: The microstructural evolution at and near pre-existing grain boundaries (GBs) and dislocations in materials under high radiation doses is still poorly understood. In this work, we use the creation relaxation algorithm (CRA) developed for atomistic modeling of high-dose irradiation in bulk materials to probe the athermal limit of saturation of GB and dislocation core regions under irradiation in FCC Ni. We find that, upon continuously subjecting a single dislocation or GB to Frenkel pair creation in the athermal limit, a local steady state disordered defect structure is reached with excess properties that fluctuate around constant values. Case studies are given for a straight screw dislocation which elongates into a helix under irradiation and several types of low and high angle GBs, which exhibit coupled responses such as absorption of extrinsic dislocations, roughening and migration. A positive correlation is found between initial GB energy and the local steady state GB energy under irradiation across a wide variety of GB types. Metastable GB structures with similar density in the defect core region but different initial configurations are found to converge to the same limiting structure under CRA. The mechanical responses of pristine and irradiated dislocations and GB structures are compared under an applied shear stress. Irradiated screw and edge dislocations are found to exhibit a hardening response, migrating at larger flow stresses than their pristine counterparts. Mobile GBs are found to exhibit softening or hardening responses depending on GB character. Although some GBs recover their initial pristine structures upon migration outside of the radiation zone, many GBs sustain different flow stresses corresponding to altered mobile core structures.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2405.04633
رقم الأكسشن: edsarx.2405.04633
قاعدة البيانات: arXiv