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Showing 2018 · physics.comp-phShow all
3 papers · 2 filters
physics.comp-ph2018
A structural modeling approach to solid solutions based on the similar atomic environment
Fuyang Tian, De-Ye Lin, Xingyu Gao +2
Solid solution is an important way to enhance the structural and functional performances of materials. In this work, we develop a structural modeling approach to solid solutions ba…
physics.comp-ph2018★ 157 cited
End-to-end Symmetry Preserving Inter-atomic Potential Energy Model for Finite and Extended Systems
Linfeng Zhang, Jiequn Han, Han Wang +3
Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology. Of particular inter…
physics.comp-ph2018
Discrete Boltzmann model for implosion and explosion related compressible flow with spherical symmetry
Aiguo Xu, Guangcai Zhang, Yudong Zhang +2
To kinetically model implosion and explosion related phenomena, we present a theoretical framework for constructing Discrete Boltzmann Model(DBM) with spherical symmetry in spheric…