1 code implementation • 25 Sep 2019 • Zheyong Fan, Yanzhou Wang, Xiaokun Gu, Ping Qian, Yanjing Su, Tapio Ala-Nissila
Silicon is an important material and many empirical interatomic potentials have been developed for atomistic simulations of it.
Materials Science Computational Physics
1 code implementation • 15 Aug 2019 • Petri Hirvonen, Vili Heinonen, Haikuan Dong, Zheyong Fan, Ken R. Elder, Tapio Ala-Nissila
We extensively benchmark the model for two-dimensional binary systems in terms of their elastic properties and phase boundary configurations and their energetics.
Mesoscale and Nanoscale Physics
no code implementations • 27 May 2019 • Zhen Li, Shiyun Xiong, Charles Sievers, Yue Hu, Zheyong Fan, Ning Wei, Hua Bao, Shunda Chen, Davide Donadio, Tapio Ala-Nissila
Conventionally, the thermal conductivity of a finite system is calculated as the ratio between the heat flux and the temperature gradient extracted from the linear part of the temperature profile away from the local thermostats.
Mesoscale and Nanoscale Physics Statistical Mechanics Computational Physics
2 code implementations • 18 Nov 2018 • Zheyong Fan, Jose Hugo Garcia, Aron W. Cummings, Jose-Eduardo Barrios, Michel Panhans, Ari Harju, Frank Ortmann, Stephan Roche
In recent years, the role of predictive computational modeling has become a cornerstone for the study of fundamental electronic, optical, and thermal properties in complex forms of condensed matter, including Dirac and topological materials.
Mesoscale and Nanoscale Physics Disordered Systems and Neural Networks Materials Science
