arXiv subjects

Bingyu Cui

Publications and source records attributed to Bingyu Cui.

At least 19 recordsLinked to original sources

arXiv2026

Resonant Coupling and the Non-Phononic Flat Band in Amorphous Solids

Recent experiments and simulations provide compelling evidence for the emergence of a non-phononic flat band in the dynamical structure factor of two- and three-dimensional amorphous solids. This feature has been suggested to be connected to the excess in the reduced vibrational density of states of glasses, commonly known as the boson peak, and displays several apparently universal characteristics. First, it is nearly dispersionless, with an energy close to the boson-peak frequency. Second, its intensity is negligible below a critical wave vector of the order of the first diffraction peak. Third, its reduced intensity exhibits a strong correlation with the static structure factor. Here, we revisit the resonant-coupling model, a single-mode harmonic realization of the soft-potential scenario in which acoustic phonons interact with single frequency quasi-localized vibrations. We show that, under minimal phenomenological assumptions, this framework naturally reproduces the main features of the observed flat band and clarifies its connection to the boson peak.

cond-mat.soft↗

arXiv2026

Thermal chemical reactivity in Frenkel exciton-polariton cavities

Hybrid light-matter states formed under strong coupling between molecular excitations and confined electromagnetic modes provide a potential route to modify chemical properties. Here we compute and compare a thermally averaged measure of molecular chemical activity for an equilibrium ensemble of molecules inside and outside a planar microcavity, explicitly accounting for the spatial distribution (and hence the in-plane wavevector dispersion) of the coupled light-matter states. Within a generalized Tavis-Cummings description, we find that the cavity-induced change in thermal chemical activity is most pronounced for small molecular ensembles (low areal density within a given cavity mode volume) and increases with the collective coupling strength (Rabi splitting), particularly at low temperatures. These results highlight the importance of the polariton dispersion and molecular-mode counting in assessing cavity modifications of thermally driven molecular reactivity.

physics.chem-ph↗

arXiv2026

Attenuation of long-wavelength sound in quenched disordered media

We derive analytically, and validate numerically, the dispersion renormalization and attenuation of acoustic waves propagating through quenched disordered media in the long-wavelength limit. We consider weak spatial fluctuations in elastic moduli and/or mass density and compute the disorder-induced self-energies within the leading (Born) approximation. For sufficiently weak disorder, the results depend only on the variances of the fluctuations and are therefore insensitive to the detailed form of the underlying random distribution. For spatially uncorrelated elasticity disorder we obtain Rayleigh-type attenuation, $\Gamma(q)\propto q^{d+1}$ , together with a reduction of the sound speed. In contrast, density disorder produces Rayleigh-type attenuation but does not renormalize the acoustic dispersion to leading order. Molecular dynamics simulations and normal-mode analyses of disordered one- and two-dimensional lattices quantitatively confirm the theoretical predictions.

cond-mat.dis-nn↗

arXiv2026

Collective resonance light scattering from thermally relaxing systems in cavities

We study steady-state resonance light scattering from ensembles of noninteracting molecules, both in free space and inside optical cavities, while accounting for local thermal relaxation. The scattering spectra are obtained from steady-state solutions of either the Schr\"{o}dinger equation or a Liouville-space master equation. In the absence of a cavity, the spectra exhibit an elastic peak at the incident-photon energy and an inelastic fluorescence peak near the molecular excitation energy. Inside a cavity, the fluorescence peak splits into upper- and lower-polaritonic peaks in the strong-coupling regime. We analyze how the elastic and inelastic spectral features scale with the number of molecules under fixed cavity-molecule coupling and identify distinct collective trends in the Rayleigh peak intensity and in the integrated polaritonic or fluorescence spectral weight. The two theoretical approaches yield qualitatively consistent results while highlighting different aspects of thermally induced relaxation and dephasing.

physics.chem-ph↗

arXiv2025

Finite-sample deviations and convergence in the statistics of Bohmian trajectory ensembles

We analyze finite-sample statistics of Bohmian trajectories for single spinless and spin-1/2 particles. Equivariance ensures agreement with $|\psi|^2$ in the quantum equilibrium limit, yet experiments and simulations necessarily use finite ensembles. We show that in regular flows (e.g., wavepackets or low-mode superpositions of eigenstates of harmonic oscillators) sample means and/or variances over modest $N$ are consistent with Born-rule moments. In contrast, degenerate superpositions of 3D oscillators with nodal barriers and chaotic Bohmian dynamics exhibit sensitive dependence on initial conditions and complex flow partitioning, which can yield noticeable finite-sample deviations in the mean and variance. For the spin-1/2 particle, both convective and Pauli currents conserve $|\psi|^2$, but they are associated with different velocity fields and thus might yield different finite-sample trajectory statistics. These findings calibrate the interpretation of trajectory-based uncertainty and provide practical guidance for numerical Bohmian simulations of spin and transport, without challenging the equivalence to orthodox quantum mechanics in the quantum equilibrium ensemble.

quant-ph↗

arXiv2025

Open quantum systems with particle and bath driven by time-dependent fields

We derive a generalized quantum Langevin equation and its fluctuation-dissipation relation describing the quantum dynamics of a tagged particle interacting with a medium (environment), where both the particle and the environment are driven by an external time-dependent (e.g. oscillating) field. We specialize on the case of a charged tagged particle interacting with a bath of charged oscillators, under an external AC electric field, although the results are much more general and can be applied to any type of external time-dependent fields. We derive the corresponding quantum Langevin equation, which obeys a modified fluctuation-dissipation relation (FDR) where the AC field plays an explicit role. The modified FDR is non-Markovian even if the undriven particle-bath system is Markovian without the external field. We provide an illustration of the usefulness of these results and derive a new form of the quantum Nyquist noise for the voltage fluctuations in electrical circuits under AC conditions (finite frequency), which is the most general since it also accounts for the response of the heat bath (e.g. lattice ions) to the applied AC electric field in the GHz-THz region, of relevance for 5G/6G wireless technologies. This generalized quantum fluctuation-dissipation relation for driven systems can also find other applications ranging from quantum noise in quantum optics to quantum computing with trapped ions.

quant-ph↗

arXiv2025

The partition function in the quantum-to-classical transition

In classical statistical mechanics, the partition function is defined in phase space. We extend this concept to quantum statistical mechanics using Bohmian trajectories. The quantum partition function in phase space captures the ensemble of positions and momenta, along with the probability distribution that accounts for the inherent uncertainty in measuring particle locations. Within this framework, the quantum-to-classical transition arises naturally, maintaining consistency between dynamics and statistical mechanics.

quant-ph↗

arXiv2024

Spectral Decomposition of Liquid Viscosity into Instantaneous Normal Modes

Viscosity, the resistance of a liquid to flow, is driven by atomic-scale friction but its microscopic origin remains poorly understood. We use a theoretical framework based on nonaffine linear response to decompose the viscosity of metallic and model liquids into contributions from individual instantaneous normal modes (INMs). Our approach reveals excellent agreement with simulations and exposes the specific excitations that govern viscous dynamics. Above the mode-coupling temperature ($T_{\text{MC}}$), viscosity is controlled by unstable localized INMs (ULINMs), which act as precursors for diffusive momentum transport. Below $T_{\text{MC}}$, we find a dynamical crossover where stable modes govern viscosity, a behavior consistent with a transition in the potential energy landscape from saddle-dominated to minima-dominated dynamics. We also propose a quantitative model connecting viscosity with ULINMs in both Arrhenius and non-Arrhenius regimes. This work provides a spectral decomposition of liquid viscosity, identifying the atomic modes responsible for it and opening a path to predict it from elementary excitations.

cond-mat.soft↗

arXiv2024

Hyperballistic transport in dense systems of charged particles under ac electric fields

The Langevin equation is ubiquitously employed to numerically simulate plasmas, colloids and electrolytes. However, the usual assumption of white noise becomes untenable when the system is subject to an external AC electric field. This is because the charged particles in the system, which provide the thermal bath for the particle transport, become themselves responsive to the AC field and the thermal noise is field-dependent and non-Markovian. We theoretically study the particle diffusivity in a Langevin transport model for a tagged charged particle immersed in a dense system of charged particles (plus also, possibly, other neutral particles) that act as the thermal bath, under an external AC electric field. This is done by properly accounting for the effects of the AC field on the thermal bath statistics. We analytically derive the time-dependent generalized diffusivity $D(t)$ for different initial conditions. The generalized diffusivity exhibits damped oscillatory-like behaviour with initial very large peaks, where the generalized diffusion coefficient is enhanced by orders of magnitude with respect to the infinite-time steady-state value. The latter coincides with the Stokes-Einstein diffusivity in the absence of external field. For initial conditions where the external field is already on at $t=0$ and the system is thermalized under DC conditions for $t \leq 0$, the short-time behaviour is hyperballistic, $MSD \sim t^4$ (where MSD is the mean-squared displacement), leading to giant enhancement of the particle transport. Finally, the theory elucidates the role of medium polarization on the local Lorentz field, and allows for estimates of the effective electric charge due to polarization by the surrounding charges.

physics.plasm-ph↗

arXiv2023

Comparing semiclassical mean-field and 1-exciton approximations in evaluating optical response under strong light-matter coupling conditions

The rigorous quantum mechanical description of the collective interaction of many molecules with the radiation field is usually considered numerically intractable, and approximation schemes must be employed. Standard spectroscopy usually contains some levels of perturbation theory, but under strong coupling conditions, other approximations are used. A common approximation is the 1-exciton model in which processes involving weak excitations are described using a basis comprising of the ground state and singly excited states of the molecule cavity-mode system. In another frequently used approximation in numerical investigations, the electromagnetic field is described classically, and the quantum molecular subsystem is treated in the mean-field Hartree approximation with its wavefunction assumed to be a product of single molecules' wavefunctions. The former disregards states that take long time to populate, and is therefore essentially a short time approximation. The latter is not limited in this way, but by its nature, disregards some intermolecular and molecule-field correlations. In this work, we directly compare results obtained from these approximations when applied to several prototype problems involving the optical response of molecule-in-optical cavities systems. In particular, we show that our recent model investigation (J. Chem. Phys. 157, 114108 (2022)) of the interplay between the electronic strong coupling and molecular nuclear dynamics using the truncated 1-exciton approximation agrees very well with the semiclassical mean-field calculation.

physics.chem-ph↗

arXiv2023

Short-time particle motion in one and two-dimensional lattices with site disorder

Like a free particle, the initial growth of a broad (relative to lattice spacing) wavepacket placed on an ordered lattice is slow (zero initial slope) and becomes linear in $t$ at long time. On a disordered lattice, the growth is inhibited at long time (Anderson localization). We consider site disorder with nearest-neighbor hopping on 1- and 2-dimensional systems, and show via numerical simulations supported by the analytical study that the short time growth of the particle distribution is faster on the disordered lattice than on the ordered one. Such faster spread takes place on time and length scale that may be relevant to the exciton motion in disordered systems.

physics.chem-ph↗

arXiv2022

Collective response in light-matter interactions: The interplay between strong coupling and local dynamics

A model designed to mimic the implications of the collective optical response of molecular ensembles in optical cavities on molecular vibronic dynamics is investigated. Strong molecule-radiation field coupling is often reached when a large number N of molecules respond collectively to the radiation field. In electronic strong coupling, molecular nuclear dynamics following polariton excitation reflects (a) the timescale separation between the fast electronic and photonic dynamics and the slow nuclear motion on one hand, and (b) the interplay between the collective nature of the molecule-field coupling and the local nature of the molecules nuclear response on the other. The first implies that the electronic excitation takes place, in the spirit of the Born approximation, at an approximately fixed nuclear configuration. The second can be rephrased as the intriguing question, can the collective nature of the optical excitation lead to collective nuclear motion following polariton formation, resulting in so-called polaron decoupled dynamics. We address this issue by studying the dynamical properties of a simplified Holstein-Tavis-Cummings type model, in which boson modes representing molecular vibrations are replaced by two-level systems while the boson frequency and the vibronic coupling are represented by the coupling between these levels (that induces Rabi oscillations between them) and electronic state dependence of this coupling. We investigate the short-time behavior of this model following polariton excitation as well as its response to CW driving and its density of states spectrum. We find that, while some aspects of the dynamical behavior appear to adhere to the polaron decoupling picture, the observed dynamics mostly reflect the local nature of the nuclear configuration of the electronic polariton rather than this picture.

physics.chem-ph↗

arXiv2021

Molecular polaritonics: Chemical Dynamics under strong Light-Matter Coupling

Chemical manifestations of strong light-matter coupling have been recently subject of intense experimental and theoretical studies. Here we review the present status of this field. Section 1 is an introduction to molecular polaritonics and to collective response aspects of light-matter interactions. Section 2 provides an overview of the key experimental observations of these effects while Section 3 describe our current theoretical understanding of the effect of strong light-matter coupling on chemical dynamics. A brief outline of applications to energy conversion processes in given in Section 4. Pending technical issues in the constructions of theoretical approach are briefly described in Section 5. The summary in Section 6 also outlines the paths ahead in this exciting endeavor.

physics.chem-ph↗

arXiv2021

Sound attenuation derived from quenched disorder in solids

In scattering experiments, the dynamical structure factor (DSF) characterizes inter-particle correlations and their time evolution. We analytically evaluated the DSF of disordered solids with disorder in the spring constant, by averaging over quenched disorder in the values of lattice bond strength, along the acoustic branch. The width of the resulting acoustic excitation peak is treated as the effective damping constant $Γ(q)$, which we found to grow linearly with exchanged momentum $q$. This is verified by numerically calculating a model system consisting of harmonic linear chains with disorder in spring constant. We also found that the quenched averaging of the vibrational density of states produces a characteristic peak at a frequency related to the average acoustic resonance. Such a peak (the excess over Debye law) may be related to the "boson peak" frequently discussed in disordered solids, in our case explicitly arising from the quenched disorder in the distribution of spring constants.

cond-mat.dis-nn↗

arXiv2020

Vibrational density of states of amorphous solids with long-ranged power-law correlated disorder in elasticity

A theory of vibrational excitations based on power-law spatial correlations in the elastic constants (or equivalently in the internal stress) is derived, in order to determine the vibrational density of states $D(ω)$ of disordered solids. The results provide the first prediction of a boson peak in amorphous materials where spatial correlations in the internal stresses (or elastic constants) are of power-law form, as is often the case in experimental systems, leading to logarithmic enhancement of (Rayleigh) phonon attenuation. A logarithmic correction of the form $\sim -ω^{2}\lnω$ is predicted to occur in the plot of the reduced excess DOS for frequencies around the boson peak in 3D. Moreover, the theory provides scaling laws of the density of states in the low-frequency region, including a $\simω^{4}$ regime in 3D, and provides information about how the boson peak intensity depends on the strength of power-law decay of fluctuations in elastic constants or internal stress. Analytical expressions are also derived for the dynamic structure factor for longitudinal excitations, which include a logarithmic correction factor, and numerical calculations are presented supporting the assumptions used in the theory.

cond-mat.dis-nn↗

arXiv2020

Analytical prediction of logarithmic Rayleigh scattering in amorphous solids from tensorial heterogeneous elasticity with power-law disorder

The damping or attenuation coefficient of sound waves in solids due to impurities scales with the wavevector to the fourth power, also known as Rayleigh scattering. In amorphous solids, Rayleigh scattering may be enhanced by a logarithmic factor although computer simulations offer conflicting conclusions regarding this enhancement and its microscopic origin. We present a tensorial replica field-theoretic derivation based on heterogeneous or fluctuating elasticity (HE), which shows that long-range (power-law) spatial correlations of the elastic constants, is the origin of the logarithmic enhancement to Rayleigh scattering of phonons in amorphous solids. We also consider the case of zero spatial fluctuations in the elastic constants, and of power-law decaying fluctuations in the internal stresses. Also in this case the logarithmic enhancement to the Rayleigh scattering law can be derived from the proposed tensorial HE framework.

cond-mat.dis-nn↗

arXiv2020

Comparison of the Helmholtz, Gibbs, and Collective-modes methods to obtain nonaffine elastic constants

We review and compare the Born-Huang and the Lemaitre-Maloney's theories that lead to analytical expressions for elastic constants, accounting for affine and nonaffine deformations in a lattice. The Born-Huang method is based on Helmholtz energy while the Lemaitre-Maloney's formalism focus on Gibbs force. Although starting from different perspectives, in the linear elastic limit, and in equilibrium, elastic material constants must be the same in all these methods. This is explicitly verified on examples of linear chains, and numerical simulation of a non-centrosymmetric crystal.

cond-mat.soft↗

arXiv2020

Secondary relaxation in the terahertz range in 2-adamantanone from theory and experiments

We applied the recently developed Generalized Langevin Equation (GLE) approach for dielectric response of liquids and glasses to link the vibrational density of states (VDOS) to the dielectric response of a model orientational glass (OG). The dielectric functions calculated based on the GLE, with VDOS obtained in experiments and simulations as inputs, are compared with experimental data for the paradigmatic case of 2-adamantanone at various temperatures. The memory function is related to the integral of the VDOS times a spectral coupling function $γ(ω_p)$, which tells the degree of dynamical coupling between molecular degrees of freedom at different eigenfrequencies. With respect to previous empirical fittings, the GLE-based fitting reveals a broader temperature range over which the secondary relaxation is active. Furthermore, the theoretical analysis provides a clear evidence of secondary relaxation being localized within the THz ($0.5-1$ THz) range of eigenfrequencies, and thus not too far from the low-energy modes involved in $α$-relaxation. In the same THz region, the same material displays a crowding of low-energy optical modes that may be related to the secondary relaxation.

cond-mat.soft↗