Zobrazeno 1 - 10
of 568
pro vyhledávání: '"Srolovitz, David J."'
Autor:
Li, Zhuoyuan, Wen, Tongqi, Zhang, Yuzhi, Liu, Xinzijian, Zhang, Chengqian, Pattamatta, A. S. L. Subrahmanyam, Gong, Xiaoguo, Ye, Beilin, Wang, Han, Zhang, Linfeng, Srolovitz, David J.
The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials identification and design. This depends on the availability of accurate d
Externí odkaz:
http://arxiv.org/abs/2404.17330
Autor:
El-Atwani, Osman, Barnett, Annie K., Martinez, Enrique, Han, Jian, Leff, Asher C., Hung, Chang-Yu, Nathaniel, James E., He, Sicong, Mang, Emily H., Woryk, Larissa M., Hattar, Khalid, Uberuaga, Blas P., Srolovitz, David J., Falk, Michael L., Marian, Jaime, Taheri, Mitra L.
Grain boundaries (GBs) in polycrystalline materials are powerful sinks for irradiation defects. While standard theories assume that the sink efficiency of a grain boundary is defined solely by its character before irradiation, recent evidence conclus
Externí odkaz:
http://arxiv.org/abs/2404.10144
Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials knowledge
Externí odkaz:
http://arxiv.org/abs/2401.17788
Autor:
Gong, Xiaoguo, Li, Zhuoyuan, Pattamatta, A. S. L. Subrahmanyam, Wen, Tongqi, Srolovitz, David J.
Nickel (Ni) is a magnetic transition metal with two allotropic phases, stable face-centered cubic (FCC) and metastable hexagonal close-packed (HCP), widely used in structural applications. Magnetism affects many mechanical and defect properties, but
Externí odkaz:
http://arxiv.org/abs/2312.17596
Publikováno v:
npj Computational Materials 9, 216 (2023)
The $\alpha/\beta$ interface is central to the microstructure and mechanical properties of titanium alloys. We investigate the structure, thermodynamics and migration of the coherent and semicoherent Ti $\alpha/\beta$ interfaces as a function of temp
Externí odkaz:
http://arxiv.org/abs/2311.02897
The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical properties of mat
Externí odkaz:
http://arxiv.org/abs/2309.16366
Publikováno v:
npj Computational Materials 9, 228 (2023)
A multiscale approach based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) methods is developed to simulate the dynamics of an $\langle \mathbf{a} \rangle$ screw dislocation in $\alpha$-Ti. The free energy barriers for the core dissociation
Externí odkaz:
http://arxiv.org/abs/2306.10836
Dislocation-interface interactions dictate the mechanical properties of polycrystalline materials through dislocation absorption, emission and reflection and interface sliding. We derive a mesoscale interface boundary condition to describe these, bas
Externí odkaz:
http://arxiv.org/abs/2306.09689
Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitrarily-curved grain boundaries or heterophase interfaces accounting for
Externí odkaz:
http://arxiv.org/abs/2305.07211
Autor:
Wen, Tongqi, Liu, Anwen, Wang, Rui, Zhang, Linfeng, Han, Jian, Wang, Han, Srolovitz, David J., Wu, Zhaoxuan
Ti exhibits complex plastic deformation controlled by active dislocation and twinning systems. Understandings on dislocation cores and twin interfaces are currently not complete or quantitative, despite extensive experimental and simulation studies.
Externí odkaz:
http://arxiv.org/abs/2211.14072