Instabilities govern the low-frequency vibrational spectrum of amorphous solids

Amorphous solids exhibit an excess of low-frequency modes in their vibrational density of states (VDoS) beyond the Debye prediction, contributing to their anomalous mechanical and thermal properties. Recently a power-law behavior has been observed in the low frequency regime of their VDoS; however, a precise exponent remains a subject of debate. In this study, we demonstrate that boundary-condition-induced instabilities play a key role in the variability of this exponent. We identify two distinct types of elastic branches that differ in the nature of their energy landscape: Fictitious branches, where shear minima cannot be reached through elastic deformation alone and undergo plastic instabilities, and True branches, where elastic deformation can access these minima. Configurations on Fictitious branches display a VDoS scaling as D(ω) ∼ ω3, while those on True elastic branches under simple and pure shear deformations exhibit a scaling of D(ω) ∼ ω5.5. In simulations where this distinction is not made, ensemble averaging leads to a weighted combination of spectra from configurations with different mechanical stabilities, resulting in an exponent close to 4, as commonly reported in the literature. Furthermore, when solids are relaxed to their shear minima, eliminating residual stress, a scaling of D(ω) ∼ ω6.5 emerges in both two and three dimensions. Importantly, our simulations show that the prevalence of solids on Fictitious branches increases with increasing system size. Our findings therefore suggest two possible limiting behaviors for amorphous solids: increasing system size without addressing instabilities may result in a low-frequency VDoS scaling as D(ω) ∼ ω3, while removing residual stresses in each configuration results in a D(ω) ∼ ω6.5 behavior.

Authors

Institutions

Publication Details

Journal
The Journal of Chemical Physics
Published
2025-07-14
DOI
https://doi.org/10.1063/5.0279200
Primary Topic
Material Dynamics and Properties
Type
article
Field-Weighted Citation Impact
0.00

Funders

Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Instabilities govern the low-frequency vibrational spectrum of amorphous solids

Smarajit Karmakar, Kabir Ramola, Surajit Chakraborty, Roshan Maharana
The Journal of Chemical Physics
Material Dynamics and Properties
article

Instabilities govern the low-frequency vibrational spectrum of amorphous solids

Smarajit Karmakar, Kabir Ramola, Surajit Chakraborty, Roshan Maharana
article en

Abstract

Amorphous solids exhibit an excess of low-frequency modes in their vibrational density of states (VDoS) beyond the Debye prediction, contributing to their anomalous mechanical and thermal properties. Recently a power-law behavior has been observed in the low frequency regime of their VDoS; however, a precise exponent remains a subject of debate. In this study, we demonstrate that boundary-condition-induced instabilities play a key role in the variability of this exponent. We identify two distinct types of elastic branches that differ in the nature of their energy landscape: Fictitious branches, where shear minima cannot be reached through elastic deformation alone and undergo plastic instabilities, and True branches, where elastic deformation can access these minima. Configurations on Fictitious branches display a VDoS scaling as D(ω) ∼ ω3, while those on True elastic branches under simple and pure shear deformations exhibit a scaling of D(ω) ∼ ω5.5. In simulations where this distinction is not made, ensemble averaging leads to a weighted combination of spectra from configurations with different mechanical stabilities, resulting in an exponent close to 4, as commonly reported in the literature. Furthermore, when solids are relaxed to their shear minima, eliminating residual stress, a scaling of D(ω) ∼ ω6.5 emerges in both two and three dimensions. Importantly, our simulations show that the prevalence of solids on Fictitious branches increases with increasing system size. Our findings therefore suggest two possible limiting behaviors for amorphous solids: increasing system size without addressing instabilities may result in a low-frequency VDoS scaling as D(ω) ∼ ω3, while removing residual stresses in each configuration results in a D(ω) ∼ ω6.5 behavior.

The Journal of Chemical PhysicsVol. 163(2)
Tata Institute of Fundamental Research (IN), TIFR Centre for Interdisciplinary Sciences (IN)
Department of Science and Technology, Ministry of Science and Technology, India, Department of Atomic Energy, Government of India, Science and Engineering Research Board
Affordable and clean energy
Openalex Percentile: Top 88%
Material Dynamics and Properties
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.