4 papers
Analysis of molecular dynamics simulation data via statistical distances between covariance matrices
Yusuke Ono, Takumi Sato, Kenji Yasuoka +1
Molecular dynamics (MD) simulations are powerful tools for elucidating the macroscopic physical properties of materials from microscopic atomic behaviors. However, the massive, hig…
Thermodynamic Multipoles and Dissipative Conductivities in Metallic Systems
Takumi Sato, Satoru Hayami
Multipoles provide a systematic framework for describing the electronic structures of quantum materials from a symmetry perspective. Thermodynamic multipole moments in crystalline…
Enhanced premelting at the ice-rubber interface using all-atom molecular dynamics simulation
Takumi Kojima, Ikki Yasuda, Takumi Sato +2
The ice-rubber interface is critical in applications such as tires and shoe outsoles, yet its molecular tribology remains unclear. Using all-atom molecular dynamics simulations, we…
Molecular Dynamics Investigation of Static and Dynamic Interfacial Properties in Ice-Polymer Premelting Layers
Takumi Sato, Ikki Yasuda, Noriyoshi Arai +1
Premelting at the ice-polymer interfaces, in which a quasi-liquid layer (QLL) forms below the melting point, is strongly influenced by polymer surface chemistry; however, the molec…