By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. ...By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. MSED can provide a clear description of the “energy relaxation” process on a PEL. Through MSED analysis, we have obtained a characteristic time similar to that derived from structure analysis, namely τ_(α)^(*).Further, we establish a connection between MSED and the feature of PELs, providing a concise and quantitative description of PELs. The relaxation behavior of energy has been found to follow a stretched exponential form.As the temperature decreases, the roughness of the accessible PEL changes significantly around a characteristic temperature T_(x), which is 20% higher than the glass transition temperature T_(g) and is comparable to the critical temperature of the mode-coupling theory. More importantly, one of the PEL parameters is closely related to the Adam–Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of glasses.展开更多
Equations(2)and(6)and the corresponding discussion in the paper[Chin.Phys.Lett.42,056301(2025)]have been corrected.These modiffcations do not affect the results derived in the paper.
The effect of the equilibrium pair separation on the evolution of cluster structures is investigated based on a new proposed pair potential.The computational results demonstrate that the potential with large equilibri...The effect of the equilibrium pair separation on the evolution of cluster structures is investigated based on a new proposed pair potential.The computational results demonstrate that the potential with large equilibrium pair separation stabilizes decahedra and close-packed structures,while disordered structures appear for the potential with small equilibrium pair separation.The icosahedral clusters are dominated in the middle range of equilibrium pair separation.For the small size clusters(N≤24)the dominated structural motif is the polytetrahedra,which is almost independent of the details of the potential.展开更多
基金supported by the National Key Research and Development Program of China (Grant No. 2022YFA1404603)by the National Natural Science Foundation of China (Grant Nos. 12274127 and 12188101)。
文摘By extending the concept of diffusion to the potential energy landscapes(PELs), we introduce the meansquared energy difference(MSED) as a novel quantity to investigate the intrinsic properties of supercooled liquids. MSED can provide a clear description of the “energy relaxation” process on a PEL. Through MSED analysis, we have obtained a characteristic time similar to that derived from structure analysis, namely τ_(α)^(*).Further, we establish a connection between MSED and the feature of PELs, providing a concise and quantitative description of PELs. The relaxation behavior of energy has been found to follow a stretched exponential form.As the temperature decreases, the roughness of the accessible PEL changes significantly around a characteristic temperature T_(x), which is 20% higher than the glass transition temperature T_(g) and is comparable to the critical temperature of the mode-coupling theory. More importantly, one of the PEL parameters is closely related to the Adam–Gibbs configurational entropy. The present research, which directly links the PEL to the relaxation process, provides avenues for further research of glasses.
文摘Equations(2)and(6)and the corresponding discussion in the paper[Chin.Phys.Lett.42,056301(2025)]have been corrected.These modiffcations do not affect the results derived in the paper.
基金This research was supported by the National Science Foundation of China and Shanghai Project for the Basic Research.The computation is performed in the Supercomputer Center of Shanghai.
文摘The effect of the equilibrium pair separation on the evolution of cluster structures is investigated based on a new proposed pair potential.The computational results demonstrate that the potential with large equilibrium pair separation stabilizes decahedra and close-packed structures,while disordered structures appear for the potential with small equilibrium pair separation.The icosahedral clusters are dominated in the middle range of equilibrium pair separation.For the small size clusters(N≤24)the dominated structural motif is the polytetrahedra,which is almost independent of the details of the potential.
