Disordered Solids Give Off Strange Vibes

by | Jan 11, 2022 | PhD, Physics, School of Physical and Mathematical Sciences

PhD student Shivam Mahajan (left) and Associate Professor Massimo Pica Ciamarra (right) have found an explanation for the anomalous behaviour of sound waves in disordered materials.

In certain materials, such as glass and metal alloys, the atoms are connected in a rigid but irregular fashion. These “disordered solids” behave very differently from crystalline solids like pure copper or salt, whose atoms are arranged in simple repeating patterns such as cubic grids. Despite decades of intensive research, many disordered solids’ properties remain poorly understood because of the difficulty of analysing their irregular atomic arrangements.

Recently, an important advance in the understanding of disordered solids has been achieved by physicists at Nanyang Technological University, Singapore (NTU Singapore). Associate Professor Massimo Pica Ciamarra, a faculty member at the School of Physical and Mathematical Sciences in NTU Singapore, and his PhD student Shivam Mahajan, have managed to explain two anomalous features of vibrations in disordered solids, which had been a longstanding source of disagreement between theory and experiment. Their findings were published in the journal Physical Review Letters in November 2021.

Disordered Solids Flout Theoretical Expectations

Physicists have long been interested in the vibrations of atoms in solid materials, which are responsible for transmitting sound and letting heat flow through solids. In crystalline solids, such vibrations can be described by well-established theories, which do a good job at predicting the resulting acoustic and thermal properties of the materials. However, the situation for disordered solids is more troubled.

The simplest and most widely-used theoretical model for vibrations in solids, introduced by the Dutch-American physicist Peter Debye in 1912, treats the vibrations as plane waves moving freely through the material. It predicts that the number of distinct ways in which an atomic lattice can vibrate at any given frequency – a quantity called the “density of states” – is proportional to the square of the frequency.

Disordered solids, however, do not behave according to Debye’s law. At specific frequencies, they have a substantially higher density of states (i.e., more modes of vibration) than expected, an anomaly known as the “boson peak”.

Moreover, in disordered solids, very low-frequency vibrations comprise the plane wave assumed by Debye’s model, involving the motion of all atoms, and vibrations involving the movement of atoms concentrated in specific random locations. These localised vibrations identify regions that are mechanically softer than the rest of the material.

Many competing theories have attempted to explain these anomalies without definitive success. One difficulty is that the two distinct anomalies – the boson peak and the existence of non-wavelike low frequency vibrations – happen at different frequencies, making it hard to explain both effects in a single theoretical framework.

A disordered solid is formed by atoms, depicted here as small circles, packed in an irregular arrangement. Special regions that are mechanically softer the their surroundings, coloured here in red, give rise to unusual vibrational properties. Figure credit: M. Pica Ciamarra and S. Mahajan

 

Flaws in the Pattern

In disordered solids, no location differs markedly from the rest due to the irregular arrangement of atoms, and defects are not structurally apparent. Using extensive numerical simulations, Mahajan and Pica Ciamarra have proven that the mechanically soft regions identified by the localised vibrational anomalies play the role of defects regulating the vibrational anomalies and sound propagation. When the disordered solid vibrates, the atoms in the soft regions oscillate with an unusually large amplitude, disrupting the transmission of vibrational waves through the material.
 
Mahajan and Pica Ciamarra used advanced numerical techniques to systematically study how the vibrational properties of disordered solids are affected by the characteristics of the soft regions. They discovered that the frequency of the Boson peak depends strongly on the defect size. Moreover, they showed that vibrational waves grow weaker as they pass through the disordered solids, through a process that is closely analogous to the scattering of light waves by impurities in the air (this scattering is the reason the sky is blue).
 
Both the Boson peak and the scattering of vibrational waves can be explained by a high-level statistical theory known as correlated fluctuating elasticity theory (corr-FET). Though appealing, corr-FET had failed to be verified by previous numerical studies. By undertaking a much more careful analysis, Mahajan and Pica Ciamarra were able to verify the correctness of corr-FET. Their simulations also showed that a critical parameter of corr-FET, the size scale of the correlated fluctuations, corresponds precisely to the typical size of the temperate regions in a disordered solid.
 
“Because disordered solids are such complicated materials, scientists have to study them through a combination of analytical theory, computer simulations, and experiments. So it was always disturbing the lack of a unifying theory of the vibrational properties,” says Associate Professor Pica Ciamarra. “Our work shows that by taking a careful and systematic approach, these longstanding issues can be resolved, which is very satisfying. We are also excited to use our numerical methods to uncover further details about the physical properties of these interesting materials.”
 
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