TY - JOUR
T1 - Statistical mechanics of local force dipole responses in computer glasses
AU - Rainone, Corrado
AU - Bouchbinder, Eran
AU - Lerner, Edan
N1 - The authors would like to acknowledge inspiring discussions with Jeppe Dyre, Gustavo Düring, Geert Kapteijns, and David Richard. E.L. acknowledges support from the NWO (Vidi Grant No. 680-47-554/3259). E.B. acknowledges support from the Minerva Foundation with funding from the Federal German Ministry for Education and Research, the Ben May Center for Chemical Theory and Computation, and the Harold Perlman Family
PY - 2020/5/21
Y1 - 2020/5/21
N2 - Soft quasilocalized modes (QLMs) are universally featured by structural glasses quenched from a melt, and are involved in several glassy anomalies such as the low-temperature scaling of their thermal conductivity and specific heat, and sound attenuation at intermediate frequencies. In computer glasses, QLMs may assume the form of harmonic vibrational modes under a narrow set of circumstances; however, direct access to their full distribution over frequency is hindered by hybridizations of QLMs with other low-frequency modes (e.g., phonons). Previous studies to overcome this issue have demonstrated that the response of a glass to local force dipoles serves as a good proxy for its QLMs; we, therefore, study here the statistical-mechanical properties of these responses in computer glasses, over a large range of glass stabilities and in various spatial dimensions, with the goal of revealing properties of the yet-inaccessible full distribution of QLMs' frequencies. We find that as opposed to the spatial-dimension-independent universal distribution of QLMs' frequencies omega (and, consequently, also of their stiffness kappa = omega (2)), the distribution of stiffnesses associated with responses to local force dipoles features a (weak) dependence on spatial dimension. We rationalize this dependence by introducing a lattice model that incorporates both the real-space profiles of QLMs-associated with dimension-dependent long-range elastic fields-and the universal statistical properties of their frequencies. Based on our findings, we propose a conjecture about the form of the full distribution of QLMs' frequencies and its protocol-dependence. Finally, we discuss possible connections of our findings to basic aspects of glass formation and deformation.
AB - Soft quasilocalized modes (QLMs) are universally featured by structural glasses quenched from a melt, and are involved in several glassy anomalies such as the low-temperature scaling of their thermal conductivity and specific heat, and sound attenuation at intermediate frequencies. In computer glasses, QLMs may assume the form of harmonic vibrational modes under a narrow set of circumstances; however, direct access to their full distribution over frequency is hindered by hybridizations of QLMs with other low-frequency modes (e.g., phonons). Previous studies to overcome this issue have demonstrated that the response of a glass to local force dipoles serves as a good proxy for its QLMs; we, therefore, study here the statistical-mechanical properties of these responses in computer glasses, over a large range of glass stabilities and in various spatial dimensions, with the goal of revealing properties of the yet-inaccessible full distribution of QLMs' frequencies. We find that as opposed to the spatial-dimension-independent universal distribution of QLMs' frequencies omega (and, consequently, also of their stiffness kappa = omega (2)), the distribution of stiffnesses associated with responses to local force dipoles features a (weak) dependence on spatial dimension. We rationalize this dependence by introducing a lattice model that incorporates both the real-space profiles of QLMs-associated with dimension-dependent long-range elastic fields-and the universal statistical properties of their frequencies. Based on our findings, we propose a conjecture about the form of the full distribution of QLMs' frequencies and its protocol-dependence. Finally, we discuss possible connections of our findings to basic aspects of glass formation and deformation.
U2 - 10.1063/5.0005655
DO - 10.1063/5.0005655
M3 - مقالة
SN - 0021-9606
VL - 152
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 19
M1 - 194504
ER -