1 citations · 1 across the 6 of their papers we have counts for
7 papers
Dynamic heterogeneity in sodium silicate melts via machine-learning potential
Kumpei Shiraishi, Rikuta Nozawa, Emi Minamitani
We present a comprehensive characterisation of dynamic heterogeneity in sodium silicate melts using molecular dynamics simulation with machine-learning potentials. By studying sodi…
Boson peak in the dynamical structure factor of network- and packing-type glasses
Hideyuki Mizuno, Emi Minamitani
Glasses are structurally disordered solids that host, in addition to crystalline-like phonons, vibrational excitations with no direct phononic counterpart. A long-standing universa…
Topological descriptor for interpretable thermal transport prediction in amorphous graphene
Kosuke Yamazaki, Takuma Shiga, Kumpei Shiraishi +1
Understanding and predicting thermal transport in disordered materials remains a significant challenge due to the absence of periodicity and the complex nature of medium-range stru…
Benchmarking thermostat algorithms in molecular dynamics simulations of a binary Lennard-Jones glass-former model
Kumpei Shiraishi, Emi Minamitani, Kang Kim
A systematic comparison was carried out to assess the influence of representative thermostat methods in constant-temperature molecular dynamics simulations. The thermostat schemes…
Boson peak in covalent network glasses: Isostaticity and marginal stability
Hideyuki Mizuno, Tatsuya Mori, Giacomo Baldi +1
The boson peak (BP) stands as a key feature in understanding glasses and amorphous materials. It directly underlies their anomalous material properties, including thermal behaviors…
Self-stabilized charge states in a double-decker molecular magnet on Pb(111)
Xin Liao, Rui-Jing Sun, Emi Minamitani +7
Electron charging play key roles in physiochemical processes, whose intrinsic stabilization in single molecules is desirable for tailoring molecular functionality and developing mo…
Persistent homology elucidates hierarchical structures responsible for mechanical properties in covalent amorphous solids
Emi Minamitani, Takenobu Nakamura, Ippei Obayashi +1
Understanding how atomic-level structures govern the mechanical properties of amorphous materials remains a fundamental challenge in solid-state physics. Under mechanical loading,…