Short-range Correlations Research Articles

Dipole-dipole interactions and the origin of ferroelectric ordering in polar nematics

ABSTRACT A molecular origin of the ferroelectric ordering in the nematic phase is considered in detail considering a model based on electrostatic interaction between permanent molecular dipoles modulated by the anisotropic molecular shape. It is shown that a contribution to the total free energy of the long-range tail of the dipole-dipole interaction potential defines the total electrostatic energy of the system which depends on the sample shape and on the boundary conditions. This contribution may strongly affect the transition into the ferroelectric phase. However, the dipole-dipole interaction itself can hardly be responsible for the ferroelectric ordering in nematic liquid crystals for any reasonable values of the molecular dipole. A more promising model which combines dipole-dipole interaction and short-range orientational-translational correlations is also considered.

Certifying long-range quantum correlations through routed Bell tests

Losses in the transmission channel, which increase with distance, pose a major obstacle to photonics demonstrations of quantum nonlocality and its applications. Recently, Chaturvedi, Viola, and Pawlowski (CVP) [arXiv:2211.14231] introduced a variation of standard Bell experiments with the goal of extending the range over which quantum nonlocality can be demonstrated. These experiments, which we call `routed Bell experiments', involve two distant parties, Alice and Bob, and allow Bob to route his quantum particle along two possible paths and measure it at two distinct locations – one near and another far from the source. The premise is that a high-quality Bell violation in the short-path should constrain the possible strategies underlying the experiment, thereby weakening the conditions required to detect nonlocal correlations in the long-path. Building on this idea, CVP showed that there are certain quantum correlations in routed Bell experiments such that the outcomes of the remote measurement device cannot be classically predetermined, even when its detection efficiency is arbitrarily low. In this paper, we show that the correlations considered by CVP, though they cannot be classically predetermined, do not require the transmission of quantum systems to the remote measurement device. This leads us to define and formalize the concept of `short-range' and `long-range' quantum correlations in routed Bell experiments. We show that these correlations can be characterized through standard semidefinite-programming hierarchies for non-commutative polynomial optimization. We then explore the conditions under which short-range quantum correlations can be ruled out and long-range quantum nonlocality can be certified in routed Bell experiments. We point out that there exist fundamental lower-bounds on the critical detection efficiency of the distant measurement device, implying that routed Bell experiments cannot demonstrate long-range quantum nonlocality at arbitrarily large distances. However, we do find that routed Bell experiments allow for reducing the detection efficiency threshold necessary to certify long-range quantum correlations. The improvements, though, are significantly smaller than those suggested by CVP's analysis.

Short-range correlation of stress chains near solid-to-liquid transition in active monolayers.

Using a three-dimensional model of cell monolayers, we study the spatial organization of active stress chains as the monolayer transitions from a solid to a liquid state. The critical exponents that characterize this transition map the isotropic stress percolation onto the two-dimensional random percolation universality class, suggesting short-range stress correlations near this transition. This mapping is achieved via two distinct, independent pathways: (i) cell-cell adhesion and (ii) active traction forces. We unify our findings by linking the nature of this transition to high-stress fluctuations, distinctly linked to each pathway. The results elevate the importance of the transmission of mechanical information in dense active matter and provide a new context for understanding the non-equilibrium statistical physics of phase transition in active systems.

Enhanced cryogenic magnetocaloric performance and the existence of short-range magnetic correlations in frustrated diamond geometries

The magnetocaloric effect in the cryogenic temperature regime has gained enormous attention due to its application in the field of cryogenic refrigeration technology, which is required for quantum computing, space sciences and basic research activities. In this context, Gd- and Dy-based frustrated systems are considered as promising cryogenic magnetocaloric materials. Hence, in this paper the magnetic and magnetocaloric properties of GdTaO4, GdNbO4 and DyNbO4 are comprehensively investigated. Structural analysis suggests that these compounds crystallize in a monoclinic structure, wherein magnetic ions form an elongated diamond geometry. Analysis of magnetization, heat capacity and field-dependent magnetic entropy changes confirms the presence of short-range magnetic correlations in these compounds. Additionally, a remarkably large magnetic entropy change and relative cooling power are noted. The mechanical efficiency is found to be comparable to (or even better than) those reported for good magnetic refrigerants. Our study suggests that GdTaO4, GdNbO4 and DyNbO4 can be regarded as promising cryogenic magnetic refrigerant materials.

Universality of spectral fluctuations in open quantum chaotic systems

Quantum chaotic systems with one-dimensional spectra follow spectral correlations of Orthogonal (OE), Unitary (UE), or Symplectic Ensembles (SE) of random matrices depending on their invariance under time reversal and rotation. In this letter, we study the non-Hermitian and non-unitary ensembles based on the symmetry of matrix elements, viz. ensemble of complex symmetric, complex asymmetric (Ginibre), and self-dual matrices of complex quaternions. The eigenvalues for these ensembles lie in the two-dimensional plane. We show that the fluctuation statistics of these ensembles are universal and quantum chaotic systems belonging to OE, UE, and SE in the presence of a dissipative environment show similar spectral fluctuations. The short-range correlations are studied using spacing ratio and spacing distribution. For long-range correlations, unfolding at a non-local scale is crucial. We describe a generic method to unfold the two-dimensional spectra with non-uniform density and evaluate correlations using number variance. We find that both short-range and long-range correlations are universal. We verify our results with the quantum kicked top in a dissipative environment that can be tuned to exhibit symmetries of OE, UE, and SE in its conservative limit.

Emergent lifetime distribution from complex network systems aging

Most theoretical analysis for lifetime distribution explains origins of specific distribution based on independent failure. We develop one unified framework encompassing different kinds of lifetime distribution for failure coupling system. For typical complex networks, we found that three types of system lifetime distributions are emerged shaped by system size and failure coupling strength. When the failure coupling strength ϕ dominates, systems exhibit a cascade failure mode, the system lifetime following an exponential distribution as series systems due to long-range correlation. When the system size N dominates, systems exhibit wear-out failure mode, the system lifetime following the Gompertz model as parallel systems due to short-range correlation. When N and ϕ have comparable impact on systems, system lifetime follows a modified Weibull distribution. We find the critical failure coupling strength and critical system size which are helpful to identify the failure mode switch point. We provide rigorous theoretical analysis for emerged lifetime distribution. We reveal the microscopic mechanism of system lifetime distribution switch pattern by analyzing the competence between correlation length and network diameter. Finally, we verify our conclusions in real networks. Our study will help to understand the lifetime origin of complex systems and design highly reliable systems.

Ab initio generalized Langevin equation

We introduce a machine learning-based approach called ab initio generalized Langevin equation (AIGLE) to model the dynamics of slow collective variables (CVs) in materials and molecules. In this scheme, the parameters are learned from atomistic simulations based on ab initio quantum mechanical models. Force field, memory kernel, and noise generator are constructed in the context of the Mori-Zwanzig formalism, under the constraint of the fluctuation-dissipation theorem. Combined with deep potential molecular dynamics and electronic density functional theory, this approach opens the way to multiscale modeling in a variety of situations. Here, we demonstrate this capability with a study of two mesoscale processes in crystalline lead titanate, namely the field-driven dynamics of a planar ferroelectric domain wall, and the dynamics of an extensive lattice of coarse-grained electric dipoles. In the first case, AIGLE extends the reach of ab initio simulations to a regime of noise-driven motions not accessible to molecular dynamics. In the second case, AIGLE deals with an extensive set of CVs by adopting a local approximation for the memory kernel and retaining only short-range noise correlations. The scheme is computationally more efficient than molecular dynamics by several orders of magnitude and mimics the microscopic dynamics at low frequencies where it reproduces accurately the dominant far-infrared absorption frequency.

High-resolution momentum distributions from low-resolution wave functions

Nucleon momentum distributions calculated with a common one-body operator vary with the resolution scale (and scheme) of the Hamiltonian used. For high-resolution potentials such as Argonne v18 (AV18) there is a high-momentum tail, reflecting short-range correlations in the nuclear wave function, which is reduced or absent for softer, lower-resolution interactions. We explore if the similarity renormalization group (SRG) can be used to quantitatively reproduce the high-resolution distributions from variational Monte Carlo at all momenta using SRG-evolved operators and empirically fit single-particle orbitals rather than a full RG evolution of many-body wave functions. The goal of this approach is to enable calculations of high-resolution distributions for a wider range of nuclei as well as for other interactions, and provides connections to phenomenological analyses of experiments.

The EMC effect for few-nucleon bound systems in light-front Hamiltonian dynamics

The light-front formalism for a covariant description of the European Muon Collaboration (EMC) effect, already applied to He3, is formally extended to any nucleus, and used for actually calculating the 3H and He4 cases. The realistic and accurate nuclear description of few-nucleon bound systems, obtained with both phenomenological and chiral potentials, has been properly combined with the Poincaré covariance and macroscopic locality, automatically satisfying both number of particles and momentum sum rule. While retaining the on-mass-shell nucleon structure functions, one is then able to predict a sizable EMC effect for He4, as already observed for He3. Moreover, the impact on the EMC effect of both i) the short-range correlations, such as those generated by modern nuclear interactions, and ii) the ratio between the neutron and proton structure functions has been studied. The short-range correlations generated by retaining only the standard nuclear degrees of freedom act on the depth of the minimum in the EMC ratio, while the uncertainties linked to the ratio of neutron to proton structure functions are found to be very small. These light-front results facilitate ascribing deviations from experimental data due to genuine QCD effects, not included in a standard nuclear description, and initiating unbiased investigations.

Experimental Study of Cold Dense Nuclear Matter

The fundamental theory of nuclear interactions, Quantum Chromodynamics (QCD), operates in terms of quarks and gluons at higher resolution. At low resolution the relevant degrees of freedom are nucleons. Two-nucleon Short-Range Correlations (SRC) help to interconnect these two descriptions. SRCs are temporary fluctuations of strongly interacting close pairs of nucleons. The distance between the two nucleons is comparable to their radii and their relative momenta are larger than the fermi sea level. According to the electron scattering experiments held in the last decade, SRCs have far-reaching impacts on many-body systems, the nucleon-nucleon interactions, and nuclear substructure. The modern experiments with ion beams and cryogenic liquid hydrogen target make it possible to study properties of the nuclear fragments after quasi-elastic knockout of a single nucleon or an SRC pair. Here we review the status and perspectives of the SRC program in so-called inverse kinematics at JINR (Dubna, Russia). The first SRC experiment at the BM@N spectrometer (2018) with 4 GeV/c/nucleon carbon beam has shown that detection of an intact 11B nucleus after interaction selects out the quasi-elastic knockout reaction with minimal contribution of initial- and final-state interactions. Also, 25 events of SRC-breakups showed agreement in SRC properties as known from electron beam experiments. The analysis of the second measurement of SRC at BM@N held in 2022 with an improved setup is currently ongoing. The SRC project at JINR moved to a new experimental area in 2023, where the next measurement is being planned in terms of experimental setup and physics goals.

Short-range correlations in dynamical intranuclear cascade models for describing nucleon knockout reactions

Spallation and fragmentation reactions at incident energies above the Fermi momentum are considered to be the main mechanism for the production of neutron-rich nuclei at worldwide nuclear physics facilities, such as RIBF, FRIB, and GSI-FAIR. Although it is widely known that dynamical reaction models give a rather good prediction of cross sections for nuclear residues produced in spallation and fragmentation reactions, these reaction models fail in the description of peripheral collisions involving short-range nucleon-nucleon correlations (SRCs). Here, we present state-of-the-art dynamical reaction calculations based on the intranuclear cascade approach to describe spallation and fragmentation reactions. The new version of our dynamical model, including SRCs, successfully describes isotopic cross sections of neutron-rich nuclear residues and inclusive single-neutron and single-proton knockout cross sections for various stable and exotic nuclei. Finally, the results show that the systematic strong dependency of the single-knockout cross section reduction factor on the neutron-proton separation energy asymmetry parameter (ΔS) obtained by Tostevin and Gade disappears when SRCs are taken into account.

Sequence of Structural and Magnetic Phase Transitions in (NO)Mn6(NO3)13.

New nitrosonium manganese(II) nitrate, (NO)Mn6(NO3)13, has been synthesized and structurally characterized. In the temperature range of 45-298 K, the crystal is hexagonal (centrosymmetric sp. gr. P63/m). Mn2+ ions are assembled into tubes along axis c with both NO3- filling and coating. The nitrosonium cation is located in the framework cavity and is disordered by a 3-fold axis. At the temperature TS1 = 190 K, a structural phase transition related to the libration of the intertube NO3 group and a small variation of Mn polyhedron is observed. Moreover, the anomalies in physical properties of (NO)Mn6(NO3)13 allow suggesting that ordering of NO+ units occurs at low temperatures. The antiferromagnetic ordering in this compound is preceded by the formation of a short-range correlation regime at about 25 K and takes place in two steps at TN1 = 12.0 K and TN2 = 8.4 K.

Anomalous metallic conductivity and short-range ferromagnetic correlation in high-pressure synthesized pyrochlore

Iridates show fascinating properties due to the unpredictable ground states of their Ir cations. Generally, Ir5+(5d 4) systems exhibit insulating nonmagnetic states owing to the strong spin-orbit coupling (SOC). Herein a new pyrochlore iridate Hg2Ir2O7 with an Ir5+ charge state synthesized by high-pressure technique is reported. Hg2Ir2O7 crystallizes in the typical cubic pyrochlore crystal structure. The Ir5+ valence state is evidenced by the XAS spectrum. Surprisingly, Hg2Ir2O7 displays short-range ferromagnetic correlations at low temperatures as evidenced by S-shape field-dependent magnetization curves, positive magnetoresistance, and magnetic excitations in specific heat. Furthermore, it also shows metallic conduction and large electron component of specific heat. These results all indicate that Ir5+ in Hg2Ir2O7 deviates from SOC-dominated insulating nonmagnetic states.

Behavioral state-dependent associations between EEG temporal correlations and depressive symptoms

Previous studies have shown abnormal long-range temporal correlations in neuronal oscillations among individuals with Major Depressive Disorders, occurring during both resting states and transitions between resting and task states. However, the understanding of this effect in preclinical individuals with depression remains limited. This study investigated the association between temporal correlations of neuronal oscillations and depressive symptoms during resting and task states in preclinical individuals, specifically focusing on male action video gaming experts. Detrended fluctuation analysis (DFA), Lifetimes, and Waitingtimes were employed to explore temporal correlations across long-range and short-range scales. The results indicated widespread changes from the resting state to the task state across all frequency bands and temporal scales. Rest-task DFA changes in the alpha band exhibited a negative correlation with depressive scores at most electrodes. Significant positive correlations between DFA values and depressive scores were observed in the alpha band during the resting state but not in the task state. Similar patterns of results emerged concerning maladaptive negative emotion regulation strategies. Additionally, short-range temporal correlations in the alpha band echoed the DFA results. These findings underscore the state-dependent relationships between temporal correlations of neuronal oscillations and depressive symptoms, as well as maladaptive emotion regulation strategies, in preclinical individuals.

Multiple scattering theory in one dimensional space and time dependent disorder: average field [Invited]

We theoretically study the propagation of light in one-dimensional space- and time-dependent disorder. The disorder is described by a fluctuating permittivity ε(x, t) exhibiting short-range correlations in space and time, without cross correlation between them. Depending on the illumination conditions, we show that the intensity of the average field decays exponentially in space or in time, with characteristic length or time defining the scattering mean-free path ℓ s and the scattering mean-free time τ s . In the weak scattering regime, we provide explicit expressions for ℓ s and τ s , that are checked against rigorous numerical simulations.

Graph attention neural networks for mapping materials and molecules beyond short-range interatomic correlations

Bringing advances in machine learning to chemical science is leading to a revolutionary change in the way of accelerating materials discovery and atomic-scale simulations. Currently, most successful machine learning schemes can be largely traced to the use of localized atomic environments in the structural representation of materials and molecules. However, this may undermine the reliability of machine learning models for mapping complex systems and describing long-range physical effects because of the lack of non-local correlations between atoms. To overcome such limitations, here we report a graph attention neural network as a unified framework to map materials and molecules into a generalizable and interpretable representation that combines local and non-local information of atomic environments from multiple scales. As an exemplary study, our model is applied to predict the electronic structure properties of metal-organic frameworks (MOFs) which have notable diversity in compositions and structures. The results show that our model achieves the state-of-the-art performance. The clustering analysis further demonstrates that our model enables high-level identification of MOFs with spatial and chemical resolution, which would facilitate the rational design of promising reticular materials. Furthermore, the application of our model in predicting the heat capacity of complex nanoporous materials, a critical property in a carbon capture process, showcases its versatility and accuracy in handling diverse physical properties beyond electronic structures.

Mesoscale self-organization of polydisperse magnetic nanoparticles at the water surface.

In this study, we investigated the self-ordering process in Langmuir films of polydisperse iron oxide nanoparticles on a water surface, employing in situ x-ray scattering, surface pressure-area isotherm analysis, and Brewster angle microscopy. X-ray reflectometry confirmed the formation of a monolayer, while grazing incidence small-angle x-ray scattering revealed short-range lateral correlations with a characteristic length equal to the mean particle size. Remarkably, our findings indicated that at zero surface pressure, the particles organized into submicrometer clusters, merging upon compression to form a homogeneous layer. These layers were subsequently transferred to a solid substrate using the Langmuir-Schaefer technique and further characterized via scanning electron microscopy and polarized neutron reflectometry. Notably, our measurements revealed a second characteristic length in the lateral correlations, orders of magnitude longer than the mean particle diameter, with polydisperse particles forming circular clusters densely packed in a hexagonal lattice. Furthermore, our evidence suggests that the lattice constant of this mesocrystal depends on the characteristics of the particle size distribution, specifically the mean particle size and the width of the size distribution. In addition, we observed internal size separation within these clusters, where larger particles were positioned closer to the center of the cluster. Finally, polarized neutron reflectometry measurements provided valuable insights into the magnetization profile across the layer.

A density-fitting implementation of the density-based basis-set correction method.

This work reports an efficient density-fitting implementation of the density-based basis-set correction (DBBSC) method in the MOLPRO software. This method consists in correcting the energy calculated by a wave-function method with a given basis set by an adapted basis-set correction density functional incorporating the short-range electron correlation effects missing in the basis set, resulting in an accelerated convergence to the complete-basis-set limit. Different basis-set correction density-functional approximations are explored and the complementary-auxiliary-basis-set single-excitation correction is added. The method is tested on a benchmark set of reaction energies at the second-order Møller-Plesset (MP2) level and a comparison with the explicitly correlated MP2-F12 method is provided. The results show that the DBBSC method greatly accelerates the basis convergence of MP2 reaction energies, without reaching the accuracy of the MP2-F12 method but with a lower computational cost.

Robust Crystal Phase Separation with Distinct Charge, Orbital, and Spin Orders in AgMn7O12.

An AA'3B4O12-type A-site-ordered quadruple perovskite oxide AgMn7O12 was prepared by high-pressure and high-temperature methods. At room temperature, the compound crystallizes into a cubic Im3̅ symmetry with a charge distribution of AgMn33+Mn43.5+O12. With the temperature decreasing to TCO,OO ≈ 180 K, the compound undergoes a structural phase transition toward a monoclinic C2/m symmetry, giving rise to a B-site charge- and orbital-ordered AgMn33+Mn23+Mn24+O12 phase. Moreover, this charge-/orbital-ordered main phase coexists with the initial cubic AgMn33+Mn43.5+O12 phase in the wide temperature range we measured. The charge-/orbital-ordered phase shows two antiferromagnetic phase transitions near 125 and 90 K, respectively. Short-range ferromagnetic correlations are found to occur for the initial B-site mixed cubic phase around 35 K. Because of the robust phase separation, considerable magnetoresistance effects are observed below TCO,OO in AgMn7O12.

The Impact of Short-Range (Gaussian) Disorder Correlations on Superconducting Characteristics

The pursuit of enhanced superconducting device performance has historically focused on minimizing disorder in materials. Recent research, however, challenges this conventional wisdom by exploring the unique characteristics of disordered materials. Following the studies, disorder is currently viewed as a design parameter that can be tuned. This shift in the paradigm has sparked an upsurge in research efforts, which demonstrates that disorder can significantly augment the superconductivity figures of merit. While almost all previous studies attended to the effects related to disorder strength, this article focuses on the impact of short-range disorder correlations that in real materials takes place, for example, due to lattice defects. The study shows that the degree of such correlations can strongly influence the superconducting characteristics.