Zobrazeno 1 - 10
of 85
pro vyhledávání: '"Wen, Tongqi"'
Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions, complementing expe
Externí odkaz:
http://arxiv.org/abs/2411.12280
Autor:
Liu, Xinzijian, Han, Yanbo, Li, Zhuoyuan, Fan, Jiahao, Zhang, Chengqian, Zeng, Jinzhe, Shan, Yifan, Yuan, Yannan, Xu, Wei-Hong, Liu, Yun-Pei, Zhang, Yuzhi, Wen, Tongqi, York, Darrin M., Zhong, Zhicheng, Zheng, Hang, Cheng, Jun, Zhang, Linfeng, Wang, Han
In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable computing resources and automated workflow management on both cloud a
Externí odkaz:
http://arxiv.org/abs/2404.18392
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
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
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
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
Autor:
Wang, Rui, Ma, Xiaoxiao, Zhang, Linfeng, Wang, Han, Srolovitz, David J., Wen, Tongqi, Wu, Zhaoxuan
BCC transition metals (TMs) exhibit complex temperature and strain-rate dependent plastic deformation behaviour controlled by individual crystal lattice defects. Classical empirical and semi-empirical interatomic potentials have limited capability in
Externí odkaz:
http://arxiv.org/abs/2209.12322
To fill the gap between accurate (and expensive) ab initio calculations and efficient atomistic simulations based on empirical interatomic potentials, a new class of descriptions of atomic interactions has emerged and been widely applied; i.e., machi
Externí odkaz:
http://arxiv.org/abs/2203.00393