Finite Size Effects Research Articles

Jamming is a first-order transition with quenched disorder in amorphous materials sheared by cyclic quasistatic deformations

Jamming is an athermal transition between flowing and rigid states in amorphous systems such as granular matter, colloidal suspensions, complex fluids and cells. The jamming transition seems to display mixed aspects of a first-order transition, evidenced by a discontinuity in the coordination number, and a second-order transition, indicated by power-law scalings and diverging lengths. Here we demonstrate that jamming is a first-order transition with quenched disorder in cyclically sheared systems with quasistatic deformations, in two and three dimensions. Based on scaling analyses, we show that fluctuations of the jamming density in finite-sized systems have important consequences on the finite-size effects of various quantities, resulting in a square relationship between disconnected and connected susceptibilities, a key signature of the first-order transition with quenched disorder. This study puts the jamming transition into the category of a broad class of transitions in disordered systems where sample-to-sample fluctuations dominate over thermal fluctuations, suggesting that the nature and behavior of the jamming transition might be better understood within the developed theoretical framework of the athermally driven random-field Ising model.

Quenches in the Sherrington–Kirkpatrick model

The Sherrington–Kirkpatrick model is a prototype of a complex non-convex energy landscape. Dynamical processes evolving on such landscapes and locally aiming to reach minima are generally poorly understood. Here, we study quenches, i.e. dynamics that locally aim to decrease energy. We analyse the energy at convergence for two distinct algorithmic classes, single-spin flip and synchronous dynamics, focusing on greedy and reluctant strategies. We provide precise numerical analysis of the finite size effects and conclude that, perhaps counter-intuitively, the reluctant algorithm is compatible with converging to the ground state energy density, while the greedy strategy is not. Inspired by the single-spin reluctant and greedy algorithms, we investigate two synchronous time algorithms, the sync-greedy and sync-reluctant algorithms. These synchronous processes can be analysed using dynamical mean field theory (DMFT), and a new backtracking version of DMFT. Notably, this is the first time the backtracking DMFT is applied to study dynamical convergence properties in fully connected disordered models. The analysis suggests that the sync-greedy algorithm can also achieve energies compatible with the ground state, and that it undergoes a dynamical phase transition.

Frequency Shift in Binary Microlensing

Abstract Gravitational microlensing with binary lensing is one of the channels for detecting exoplanets. Due to the degeneracy of the lens parameters for the binary microlensing, additional features such as parallax and finite-size effects need to identify the lens parameters. The frequency-shift effect as the relativistic analogy of the gravity assist for the photons, is an extra observation that provides additional constraint between the lens parameters . In this work, we extend the application of the frequency shift effect to binary microlensing and derive the frequency shift during the lensing and caustic crossing. The frequency shift for the binary lens is of the order of Δν/ν ∼ 10−12. We also investigate the feasibility of detecting this effect by employing Cross-Correlation methods .

Finite Size Effects in Antiferromagnetic Highly Strained BiFeO3 Multiferroic Films

AbstractEpitaxially strain‐engineered tetragonal (T)‐like BiFeO3 (BFO) is a multiferroic material with unique crystallographic and physical properties compared to its bulk rhombohedral parent. While the effect of this structural change on ferroelectric properties is understood, the influence on correlated antiferromagnetic (AFM) properties, especially with reduced film thickness, is less clear. Here, the AFM behavior of T‐like BFO films 9–58 nm thick on LaAlO3 (001) substrates fabricated by pulsed laser deposition was studied using conversion electron Mössbauer spectroscopy and X‐ray diffraction. The key findings include: i) Ultrathin T‐like BFO films (<10 nm) show a decoupling of magnetic and structural transitions, with the polar vector tilted 32 degrees from [001] in 9–13 nm films. ii) Films thinner than 13 nm exhibit no structural transition down to 150 K, with a Néel (TN) transition at ≈290 K, ≈35 K lower than thicker films. Interestingly, the TN scaling with thickness suggests realistic scaling exponents considering a critical correlation length for C‐type AFM order, rather than G‐type. The results show that finite size effects can tailor transition temperatures and modulate AFM wave modes in antiferromagnetic oxides, with implications for AFM spintronics for future information technologies.

Anderson Localization Transition in Disordered Hyperbolic Lattices.

We study Anderson localization in disordered tight-binding models on hyperbolic lattices. Such lattices are geometries intermediate between ordinary two-dimensional crystalline lattices, which localize at infinitesimal disorder, and Bethe lattices, which localize at strong disorder. Using state-of-the-art computational group theory methods to create large systems, we approximate the thermodynamic limit through appropriate periodic boundary conditions and numerically demonstrate the existence of an Anderson localization transition on the {8,3} and {8,8} lattices. We find unusually large critical disorder strengths, determine critical exponents, and observe a strong finite-size effect in the level statistics.

Origins of fine structure in DNA melting curves.

With the help of the one-dimensional random Potts-like model, we study the origins of fine structures observed on differential melting profiles of double-stranded DNA. We theoretically assess the effects of sequence arrangement on DNA melting curves through the comparison of results for random, correlated, and block sequences. Our results re-confirm the smearing out of the fine structure with the increase in chain length for all types of sequence arrangements and suggest that the fine structure is a finite-size effect. We have found that the fine structures on melting curves of chains comprised of blocks with correlations in sequence are more persistent, probably because of increased sequence disorder the blocks introduce. Many natural DNAs show a well-expressed fine structure of melting profiles. Our results for block sequences may suggest the existence of such sequence motifs in natural DNA sequences.

Understanding protein adsorption on silica mesoporous materials through thermodynamic simulations

This work presents a molecular thermodynamic theory to study protein interactions within a charge-regulating silica-like nanopore structure. The theory accounts for electrostatic interactions, steric repulsions, finite-size entropic effects, and protonation equilibrium of silanol groups on silica and protein residue side-chains. Coarse-grained representations of proteins based on their 3D crystallographic structures are employed. We evaluate the influence of pH, salt concentration, and pore size on the adsorption of selected proteins (cytochrome c, lysozyme, and myoglobin) in both single- and binary-protein solutions. The surface charge density on the nanopore walls is less negative than on the adjacent planar surface, primarily influenced by pH and salt concentration. Adsorption within the nanopore from single protein solutions exhibits a non-monotonic behavior with pH, increasing with decreasing salt concentration and diminishing pore size. Analysis of the effective interactions between proteins and silica surfaces indicates that adsorption is enhanced when the protein size matches that of the nanopore. Evaluation of various adsorption pathways indicates minimized free energy when the protein enters the nanopore through its edge and contacts its cylindrical walls. In binary solutions, the presence of another protein significantly alters the affinity of a protein for the silica surfaces, potentially preventing its adsorption, and affects its organization on these surfaces upon adsorption.

Quantum logarithmic multifractality

Through a combination of rigorous analytical derivations and extensive numerical simulations, this work reports an exotic multifractal behavior, dubbed “logarithmic multifractality,” in effectively infinite-dimensional systems undergoing the Anderson transition. In contrast to conventional multifractality observed in finite dimensions, logarithmic multifractality at infinite dimension introduces an algebraic behavior with respect to the logarithm of system size or time. We demonstrate this phenomenon across eigenstate statistics, spatial correlations, and wave packet dynamics. Our findings offer crucial insights into strong finite-size effects and slow dynamics in complex systems undergoing the Anderson transition, such as the many-body localization transition. Published by the American Physical Society 2024

A model for the lattice thermal conductivity of nanocrystalline materials with arbitrary grain size distribution

Nanocrystalline materials are a popular metamaterial used to control heat transport in semiconductor industrial applications. An accurate and reliable theoretical model is urgently needed but challenging for elucidating detailed microscopic heat transfer phenomena. In this study, we develop a mathematical model to predict the lattice thermal conductivity of nanocrystalline materials with arbitrary grain size distribution. The model first obtains the effective scattering rate of grain boundaries in single-grain-size materials, and then integrates the Landauer’s system transmission concept and series transmission concept to become applicable to multiple grain sizes. It takes into account not only intrinsic and grain boundary scattering effects, but also the effects of finite system size and grain size distribution. Numerical samples of silicon nanocrystals with single grain size, dual size, constant grain size distribution, and logarithmic normal grain size distribution are constructed and full-spectrum Monte Carlo simulations are performed for comparison. The excellent agreement observed between model predictions and simulation results validates the accuracy of the proposed theoretical model. This model will be very helpful in designing micron-scale thermal manipulation systems using nanostructures.

On Binary Formation from Three Initially Unbound Bodies

We explore three-body binary formation (3BBF), the formation of a bound system via gravitational scattering of three initially unbound bodies (3UB), using direct numerical integrations. For the first time, we consider systems with unequal masses, as well as finite-size and post-Newtonian effects. Our analytically derived encounter rates and numerical scattering results reproduce the 3BBF rate predicted by Goodman & Hut for hard binaries in dense star clusters. We find that 3BBF occurs overwhelmingly through nonresonant encounters and that the two most-massive bodies are never the most likely to bind. Instead, 3BBF favors pairing the two least-massive bodies (for wide binaries) or the most- plus least-massive bodies (for hard binaries). 3BBF overwhelmingly favors wide-binary formation with superthermal eccentricities, perhaps helping to explain the eccentric wide binaries observed by Gaia. Hard-binary formation is far rarer, but with a thermal eccentricity distribution. The semimajor axis distribution scales cumulatively as a 3 for hard and slightly wider binaries. Although mergers are rare between black holes when including relativistic effects, direct collisions occur frequently between main-sequence stars—more often than hard 3BBF. Yet, these collisions do not significantly suppress hard 3BBF at the low-velocity dispersions typical of open or globular clusters. Energy dissipation through gravitational radiation leads to a small probability of a bound, hierarchical triple system forming directly from 3UB.

First principles validation of energy barriers in Ni75Al25

Precipitates in nickel-based superalloys form during heat treatment on a time scale inaccessible to direct molecular dynamics simulation, but can be studied using kinetic Monte Carlo (KMC) modelling. This requires reliable values for the barrier energies separating distinct configurations over the trajectory of the system. In this study, we validate vacancy migration barriers found with the Activation-Relaxation Technique nouveau (ARTn) method in partially ordered Ni75Al25 with a monovacancy using published potentials for the atomic interactions against first-principles methods. In a first step, we confirm that the ARTn barrier energies agree with those determined with the nudged elastic band (NEB) method. As the number of atoms used in those calculations is too great for direct ab initio calculations, we cut the cell size to 255 atoms, thus controlling finite size effects. We then use the plane-wave density functional theory code CASTEP and its inbuilt NEB method in the smaller cells. This provides us with a continuous validation chain from first principles to KMC simulations with interatomic potentials (IPs). We evaluate the barrier energies of five further IPs with NEB, demonstrating that none yields values with sufficient reliability for KMC simulations, with some of them failing completely. This is a first step towards quantifying the errors incurred in KMC simulations of precipitate formation and evolution.

Subvolume method for SU(2) Yang-Mills theory at finite temperature: topological charge distributions

We apply the previously-developed sub-volume method to study the θ-dependence of the four-dimensional SU(2) Yang-Mills theory at finite temperature. We calculate the first two coefficients, the topological susceptibility χ and the fourth cumulant b2, in the θ-expansion of the free energy density around the critical temperature (Tc) for the confinement-deconfinement transition. Lattice calculations are performed with three different spatial sizes 243, 323, 483 to monitor finite size effects, while the temporal size is fixed to be 8. The systematic uncertainty associated with the sub-volume extrapolation is studied with special care. The sub-volume method allows us to determine the values of b2 much more accurately than the standard full-volume method, and we successfully identify the temperature dependence of b2 around Tc. Our numerical results suggest that the θ-dependence of the free energy density near θ = 0 changes from 4χ(1 − cos(θ/2)) to χ(1 − cos θ) as the temperature crosses Tc.

Unveiling the Phase Diagram and Reaction Paths of the Active Model B with the Deep Minimum Action Method.

Nonequilibrium phase transitions are notably difficult to analyze because their mechanisms depend on the system's dynamics in a complex way due to the lack of time-reversal symmetry. To complicate matters, the system's steady-state distribution is unknown in general. Here, the phase diagram of the active Model B is computed with a deep neural network implementation of the geometric minimum action method (gMAM). This approach unveils the unconventional reaction paths and nucleation mechanism in dimensions 1, 2, and 3, by which the system switches between the homogeneous and inhomogeneous phases in the binodal region. Our main findings are (i)the mean time to escape the phase-separated state is (exponentially) extensive in the system size L, but it increases nonmonotonically with L in dimension 1; (ii)the mean time to escape the homogeneous state is always finite, in line with the recent work of Cates and Nardini [Phys. Rev. Lett. 130, 098203 (2023)PRLTAO0031-900710.1103/PhysRevLett.130.098203]; (iii)at fixed L, the active term increases the stability of the homogeneous phase, eventually destroying the phase separation in the binodal for large but finite systems. Our results are particularly relevant for active matter systems in which the number of constituents hardly goes beyond 10^{7} and where finite-size effects matter.

Passive continuous-variable quantum key distribution based on orthogonal frequency-division multiplexing in the terahertz band

We propose a passive continuous-variable quantum key distribution protocol based on multicarrier multiplexing technology in the terahertz band. In this paper, we realize the superposition of multipath coherent states by inverse Fourier transform and passive modulation. At the receiving end, the coherent states of the subcarriers are separated by quantum Fourier transform, and the keys are obtained in parallel by a homodyne (heterodyne) detector and post-processing. In addition, we derive the security bounds of the protocol and evaluate the performance in indoor environments and intersatellite links. Furthermore, we consider finite-size effects and propose tighter agreement constraints, which are more practical than those obtained in the asymptotic limit. This work will provide an effective way to build efficient wireless quantum communication networks.

Multiscale simulation of spatially correlated microstructure via a latent space representation

When deformation gradients act on the scale of the microstructure of a part due to geometry and loading, spatial correlations and finite-size effects in simulation cells cannot be neglected. We propose a multiscale method that accounts for these effects using a variational autoencoder to encode the structure–property map of the stochastic volume elements making up the statistical description of the part. In this paradigm the autoencoder can be used to directly encode the microstructure or, alternatively, its latent space can be sampled to provide likely realizations. We demonstrate the method on three examples using the common additively manufactured material AlSi10Mg in: (a) a comparison with direct numerical simulation of the part microstructure, (b) a push forward of microstructural uncertainty to performance quantities of interest, and (c) a simulation of functional gradation of a part with stochastic microstructure.

Condensate and superfluid fraction of homogeneous Bose gases in a self-consistent Popov approximation

We study the condensate and superfluid fraction of a homogeneous gas of weakly interacting bosons in three spatial dimensions by adopting a self-consistent Popov approximation, comparing this approach with other theoretical schemes. Differently from the superfluid fraction, we find that at finite temperature the condensate fraction is a non-monotonic function of the interaction strength, presenting a global maximum at a characteristic value of the gas parameter, which grows as the temperature increases. This non-monotonic behavior has not yet been observed, but could be tested with the available experimental setups of ultracold bosonic atoms confined in a box potential. We clearly identify the region of parameter space that is of experimental interest to look for this behavior and provide explicit expressions for the relevant observables. Finite size effects are also discussed within a semiclassical approximation.

Effects of finite counterion size and nonhomogeneous permittivity and viscosity of the solution on the electrokinetics of a concentrated salt-free colloid.

In the present work, a general model of the electrokinetics and dielectric response of a concentrated salt-free colloid is developed which includes consideration of the finite size of the counterions released by the particles to the solution, a nonhomogeneous permittivity of the solution, the existence of Born and dielectrophoretic forces acting on the counterions, and especially the fact that the solution viscosity and diffusion counterion coefficient are allowed to be functions of the local counterion concentration. These effects have recently been discussed by J. J. López-García etal. [Phys. Rev. Fluids 4, 103702 (2019)10.1103/PhysRevFluids.4.103702] in the case of dilute colloids in general electrolyte solutions. The objective of this work is to explore the new effects and their influence on the electrokinetic response of concentrated salt-free systems. Present results confirm previous findings regarding the important increases of the dc electrophoretic mobility and dc electrical conductivity, as well as huge increments of the dynamic electrophoretic mobilities at high frequencies when finite-ion-size effects were taken into account. In addition, consideration of the viscosity of the solution and of the counterion diffusion coefficient as functions of the local counterion concentration leads to a decrease of the magnitude of the previous electrokinetic results. The theory incorporates a more convenient hard-sphere hydrodynamic model to account for the nonhomogeneous viscosity of the solution than others proposed in previous works in the literature. A comparison is elaborated on between electrokinetic and dielectric responses with different levels of complexity of the theoretical model, starting from the case of pointlike counterions and following with the inclusion in sequence of additional aspects such as finite counterion size, nonhomogeneous electrical permittivity with associated Born and dielectrophoretic effects, and, finally, position-dependent viscosity and diffusion counterion coefficient, and clearly shows the influence of individual effects on the general electrokinetic response and especially the relevant role the nonhomogeneous viscosity on the dc and ac electrokientic behavior of salt-free colloids.

Gbps key rate passive-state-preparation continuous-variable quantum key distribution within an access-network area

The conventional Gaussian-modulated coherent-state quantum key distribution (QKD) protocol requires the sender to perform active modulations based on a true random number generator. Compared with it, the passive-state-preparation (PSP) continuous-variable quantum key distribution (CVQKD) equivalently performs modulations passively by exploring the intrinsic field fluctuations of a thermal source, which offers the prospect of chip integration QKD with low cost. In this paper, we propose and experimentally demonstrate a high-rate PSP-CVQKD scheme within an access-network area using high-bandwidth detectors in a continuous wave encoding and decoding way. By proposing effective methods for suppressing the noises during the PSP process and polarization multiplexing to decrease the photon leakage noises, we realize the high-intensity local oscillator transmission, thereby achieving coherent detection with high efficiency, low noise, and high bandwidth. The secure key rates over transmission distance of 5.005 km with and without consideration of the finite-size effect are 273.25 Mbps and 1.09 Gbps. The use of the PSP method boosts the asymptotic secret key rate of CVQKD to Gbps level for the first time, to our knowledge, within the range of the access network, which provides an effective and secure key distribution strategy for high-speed quantum cryptography access communication.

Random Field Ising Model Criticality in a Complex Binary Liquid System.

While Ising criticality in classical liquids has been firmly established both theoretically and experimentally, much less is known about criticality in liquids in which the growth of the correlation length is frustrated by finite-size effects. A theoretical approach for dealing with this issue is the random-field Ising model (RFIM). While experimental critical-exponent values have been reported for magnetic samples (here, we consider γ, ν and η), little experimental information is available for critical fluctuations in corresponding liquid systems. In this paper, we present a study on a binary liquid consisting of 3-methyl pyridine and heavy water in a very light-weight porous gel. We find that the experimental results are in agreement with the theoretical predictions from the RFIM.

Designing edge states from fractional polarization insulators

We theoretically investigated disconnected dispersive edge states in an anisotropic honeycomb lattice without chiral symmetry. When both mirror and chiral symmetries are present, this system is defined by a topological quantity known as fractional polarization (FP) term and exhibits a bulk band gap, classifying it as an FP insulator. While the FP insulator accommodates robust, flat topological edge states (TES), it also offers the potential to engineer these edge states by deliberately disrupting a critical symmetry that safeguards the underlying topology. These symmetry-breaking terms allow the edge states to become dispersive and generate differing configurations along the open boundaries. Furthermore, disconnected helical-like and chiral-like edge states analogous to TES seen in quantum spin and anomalous hall effect are achieved by the finite size effect, not possible from the symmetry-breaking terms alone. The demonstration of manipulating these edge states from a FP insulator can open up new avenues in constructing devices that utilize topological domain walls.