Variable Interaction Range Research Articles

Theoretical and practical investigation of ion-ion association in electrolyte solutions.

In this study, we present a new equation of state for electrolyte solutions, integrating the statistical associating fluid theory for variable range interactions utilizing the generic Mie form and binding Debye-Hückel theories. This equation of state underscores the pivotal role of ion-ion association in determining the properties of electrolyte solutions. We propose a unified framework that simultaneously examines the thermodynamic properties of electrolyte solutions and their electrical conductivity, given the profound impact of ion pairing on this transport property. Using this equation of state, we predict the liquid density, mean ionic activity coefficient, and osmotic coefficient for binary NaCl, Na2SO4, and MgSO4 aqueous solutions at 298.15K. Additionally, we evaluate the molar conductivity of these systems by considering the fraction of free ions derived from our equation of state in conjunction with two advanced electrical conductivity models. Our results reveal that, while ion-ion association has a minimal influence on the modification of the predicted properties of sodium chloride solutions, their impact on sodium and magnesium sulfate solutions is considerably more noticeable.

Measurement-induced criticality in extended and long-range unitary circuits

We explore the dynamical phases of unitary Clifford circuits with variable-range interactions, coupled to a monitoring environment. We investigate two classes of models, distinguished by the action of the unitary gates, which either are organized in clusters of finite-range two-body gates, or are pair-wise interactions randomly distributed throughout the system with a power-law distribution. We find the range of the interactions plays a key role in characterizing both phases and their measurement-induced transitions. For the cluster unitary gates we find a transition between a phase with volume-law scaling of the entanglement entropy and a phase with area-law entanglement entropy. Our results indicate that the universality class of the phase transition is compatible to that of short range hybrid Clifford circuits. Oppositely, in the case of power-law distributed gates, we find the universality class of the phase transition changes continuously with the parameter controlling the range of interactions. In particular, for intermediate values of the control parameter, we find a non-conformal critical line which separates a phase with volume-law scaling of the entanglement entropy from one with sub-extensive scaling. Within this region, we find the entanglement entropy and the logarithmic negativity present a cross-over from a phase with algebraic growth of entanglement with system size, and an area-law phase.

Ab initio development of generalized Lennard-Jones (Mie) force fields for predictions of thermodynamic properties in advanced molecular-based SAFT equations of state.

A methodology for obtaining molecular parameters of a modified statistical associating fluid theory for variable-range interactions of Mie form (SAFT-VR Mie) equation of state (EoS) from ab initio calculations is proposed for non-associative species that can be modeled as single spherical segments. The methodology provides a strategy to map interatomic or intermolecular potentials obtained from ab initio quantum-chemistry calculations to the corresponding Mie potentials that can be used within the SAFT-VR Mie EoS. The inclusion of corrections for quantum and many-body effects allows for an excellent, fully predictive description of the vapor-liquid envelope and other bulk thermodynamic properties of noble gases; this description is of similar or superior quality to that obtained using SAFT-VR Mie with parameters regressed in the traditional way using experimental thermodynamic-property data. The methodology is extended to an anisotropic species, methane, where similar levels of accuracy are obtained. The efficacy of using less-accurate quantum-chemistry methods in this methodology is explored, showing that these methods do not provide satisfactory results, although we note that the description is nevertheless substantially better than those obtained using the conductor-like screening model for describing real solvents (COSMO-RS), the only other fully predictive ab initio method currently available. Overall, the reliance on thermophysical data is completely dispensed with, providing the first extensible, wholly predictive SAFT-type EoSs.

Molecular Dynamics Study of Oscillators Spin Chain in Framework of Variable Interaction Range Model

Molecular Dynamics Study of Oscillators Spin Chain in Framework of Variable Interaction Range Model

Distribution of entanglement with variable range interactions

Distribution of quantum entanglement is investigated for an anisotropic quantum XY model with variable range interactions and in the presence of a uniform transverse magnetic field. We report the possibility of qualitative growth in entanglement between distant sites with an increase in the range of interactions that vary either exponentially or polynomially as the distance between the sites increases. Interestingly, we find that such entanglement enhancement is not ubiquitous and is dependent on the factorization points, a specific set of system parameters where the zero-temperature state of the system is fully separable. In particular, we observe that at zero-temperature, when the system parameters are chosen beyond the pair of factorization points, the increments in entanglement length due to variable range interactions are more pronounced compared to the situation when the parameters lie in between the factorization points. By employing the sum of all the bipartite entanglements with respect to a single site, we also show that the shareability of the bipartite entanglements is constrained, thereby establishing their monogamous nature. Furthermore, we note that the factorization points get reallocated depending on the laws of interaction fall-offs and provide an ansatz for the same. We reveal that the temperature at which the canonical equilibrium state becomes entangled from an unentangled one increases with the increase in the range of interactions, thereby demonstrating enhanced robustness in entanglement against temperature in the presence of long-range interactions and only when the system parameters are chosen between the pair of factorization points. We apply an energy-based entanglement witness to provide a justification to the observed robustness with temperature.

Choice of reference, influence of non-additivity, and present challenges in thermodynamic perturbation theory for mixtures.

This work revisits the fundamentals of thermodynamic perturbation theory for fluid mixtures. The choice of reference and governing assumptions can profoundly influence the accuracy of the perturbation theory. The statistical associating fluid theory for variable range interactions of the generic Mie form equation of state is used as a basis to evaluate three choices of hard-sphere reference fluids: single component, additive mixture, and non-additive mixture. Binary mixtures of Lennard-Jones fluids are investigated, where the ratios of σ (the distance where the potential is zero) and the ratios of ϵ (the well depth) are varied. By comparing with Monte Carlo simulations and results from the literature, we gauge the accuracy of different theories. A perturbation theory with a single-component reference gives inaccurate predictions when the σ-ratio differs significantly from unity but is otherwise applicable. Non-additivity becomes relevant in phase-equilibrium calculations for fluids with high ϵ-ratios or when the mixing rule of σ incorporates non-additivity through an adjustable parameter. This can be handled in three ways: by using a non-additive hard-sphere reference, by incorporating an extra term in the additive hard-sphere reference, or with a single-component reference when the σ-ratio is close to unity. For σ- and ϵ-ratios that differ significantly from unity, the perturbation theories overpredict the phase-equilibrium pressures regardless of reference. This is particularly pronounced in the vicinity of the critical region for mixtures with high ϵ-ratios. By comparing with Monte Carlo simulations where we compute the terms in the perturbation theory directly, we find that the shortcomings of the perturbation theory stem from an inaccurate representation of the second- and third-order perturbation terms, a2 and a3. As mixtures with molecules that differ significantly in size and depths of their interaction potentials are often encountered in industrial and natural applications, further development of the perturbation theory based on these results is an important future work.

Effect of long-range interactions on multipartite entanglement in Heisenberg chains

It is well known that the notions of spatial locality are often lost in quantum systems with long-range interactions, as exhibited by the emergence of phases with exotic long-range order and faster propagation of quantum correlations. We demonstrate here that such induced ``quasinonlocal'' effects do not necessarily translate to growth of global entanglement in the quantum system. By investigating the ground and quenched states of the variable-range, spin-1/2 Heisenberg Hamiltonian, we observe that the genuine multiparty entanglement in the system can either increase or counterintuitively diminish with a growing range of interactions. The behavior is reflective of the underlying phase structure of the quantum system and provides key insights for generation of multipartite entanglement in experimental atomic, molecular, and optical physics where such variable-range interactions have been implemented.

Medium-range percolation in two dimensions

We investigate equivalent-neighbor percolation models in two dimensions with a variable interaction range, and include the mean-field limit. We employ a Monte Carlo algorithm whose efficiency depends only weakly on the number of equivalent neighbors within the range of the interactions. We consider 2 classes of models, one in which the interacting neighbors fill a circle, and one in which they fill a square. We first determine the critical points, and then determine the critical exponents. These are, for all finite ranges investigated, in agreement with the exactly known exponents of the nearest-neighbor model.

Universal scaling laws for correlation spreading in quantum systems with short- and long-range interactions

We study the spreading of information in a wide class of quantum systems, with variable-range interactions. We show that, after a quench, it generally features a double structure, whose scaling laws are related to a set of universal microscopic exponents that we determine. When the system supports excitations with a finite maximum velocity, the spreading shows a twofold ballistic behavior. While the correlation edge spreads with a velocity equal to twice the maximum group velocity, the dominant correlation maxima propagate with a different velocity that we derive. When the maximum group velocity diverges, as realizable with long-range interactions, the correlation edge features a slower-than-ballistic motion. The motion of the maxima is, instead, either faster-than-ballistic, for gapless systems, or ballistic, for gapped systems. The phenomenology that we unveil here provides a unified framework, which encompasses existing experimental observations with ultracold atoms and ions. It also paves the way to simple extensions of those experiments to observe the structures we describe in their full generality.

Second virial coefficient of Kihara molecules with variable range

This work presents solutions to the second virial coefficient of Kihara molecules with a soft variable range of interaction given by a generalized Lennard-Jones four-parameter function. Regarding the four parameters, there are drawbacks in the mathematical procedure, since to find the virial solution two expansion series are used for which only the first coefficients are obtained and their radii of convergence are numerically computed. It is possible to dispense with a parameter of the potential in order to find an exact analytical expression for the virial of soft convex bodies, without a loss of generality. Alternatively, the Kihara square well fluid is used to define the sticky hard convex bodies limit of the virial and a comparison with the respective result from the continuous pair potential is made. The geometrical parameters of infinitely thin rods are used to show the behavior of the virial and the dependence of the Boyle temperature with the range. In addition, the exact formulas are corroborated by comparing with numerical results, which are obtained using Conroy's method.

Equivalent-neighbor Potts models in two dimensions.

We investigate the two-dimensional q=3 and 4 Potts models with a variable interaction range by means of Monte Carlo simulations. We locate the phase transitions for several interaction ranges as expressed by the number z of equivalent neighbors. For not-too-large z, the transitions fit well in the universality classes of the short-range Potts models. However, at longer ranges, the transitions become discontinuous. For q=3 we locate a tricritical point separating the continuous and discontinuous transitions near z=80, and a critical fixed point between z=8 and 12. For q=4 the transition becomes discontinuous for z>16. The scaling behavior of the q=4 model with z=16 approximates that of the q=4 merged critical-tricritical fixed point predicted by the renormalization scenario.

Entanglement growth and correlation spreading with variable-range interactions in spin and fermionic tunneling models

We investigate the dynamics following a global parameter quench for two one-dimensional models with variable-range power-law interactions: a long-range transverse Ising model, which has recently been realized in chains of trapped ions, and a long-range lattice model for spinless fermions with long-range tunneling. For the transverse Ising model, the spreading of correlations and growth of entanglement are computed using numerical matrix product state techniques, and are compared with exact solutions for the fermionic tunneling model. We identify transitions between regimes with and without an apparent linear light cone for correlations, which correspond closely between the two models. For long-range interactions, we find that despite the lack of a light cone, correlations grow slowly as a power law at short times, and that—depending on the structure of the initial state—the growth of entanglement can also be sublinear. These results are understood through analytical calculations, and should be measurable in experiments with trapped ions.

Semiclassical excited-state signatures of quantum phase transitions in spin chains with variable-range interactions

We study the excitation spectrum of a family of transverse-field spin chain models with variable interaction range and arbitrary spin $S$, which in the case of $S=1/2$ interpolates between the Lipkin-Meshkov-Glick and the Ising model. For any finite number $N$ of spins, a semiclassical energy manifold is derived in the large-$S$ limit employing bosonization methods, and its geometry is shown to determine not only the leading-order term but also the higher-order quantum fluctuations. Based on a multi-configurational mean-field ansatz, we obtain the semiclassical backbone of the quantum spectrum through the extremal points of a series of one-dimensional energy landscapes -- each one exhibiting a bifurcation when the external magnetic field drops below a threshold value. The obtained spectra become exact in the limit of vanishing or very strong external, transverse magnetic fields. Further analysis of the higher-order corrections in $1/\sqrt{2S}$ enables us to analytically study the dispersion relations of spin-wave excitations around the semiclassical energy levels. Within the same model, we are able to investigate quantum bifurcations, which occur in the semiclassical ($S\gg 1$) limit, and quantum phase transitions, which are observed in the thermodynamic ($N\rightarrow\infty$) limit.

Winding number excitation detects phase transition in one-dimensional XY model with variable interaction range.

We numerically study the critical behavior of the one-dimensional XY model of the size N with variable interaction range L. As expected, the standard local order parameter of the magnetization is shown to well detect the mean-field-type transition which occurs at any nonzero value of L/N. The system is particularly interesting since the underlying one-dimensional structure allows us to study the topological excitation of the winding number across the whole system even though the system shares the mean-field transition with the globally coupled system. We propose a nonlocal order parameter based on the width of the winding number distribution which exhibits a clear signature of the transition nature of the system.

Quantum correlations and entanglement in far-from-equilibrium spin systems

By applying complementary analytic and numerical methods, we investigate the dynamics of spin-$1/2$ XXZ models with variable-range interactions in arbitrary dimensions. The dynamics we consider is initiated from uncorrelated states that are easily prepared in experiments, and can be equivalently viewed as either Ramsey spectroscopy or a quantum quench. Our primary focus is the dynamical emergence of correlations and entanglement in these far-from-equilibrium interacting quantum systems: we characterize these correlations by the entanglement entropy, concurrence, and squeezing, which are inequivalent measures of entanglement corresponding to different quantum resources. In one spatial dimension, we show that the time evolution of correlation functions manifests a non-perturbative dynamic singularity. This singularity is characterized by a universal power-law exponent that is insensitive to small perturbations. Explicit realizations of these models in current experiments using polar molecules, trapped ions, Rydberg atoms, magnetic atoms, and alkaline-earth and alkali atoms in optical lattices, along with the relative merits and limitations of these different systems, are discussed.

Weakly nonlinear localization for a 1-D FPU chain with clustering zones

We study weakly nonlinear spatially localized solutions of a Fermi-Pasta-Ulam model describing a unidimensional chain of particles interacting with a number of neighbors that can vary from site to site. The interaction potential contains quadratic and quartic terms, and is derived from a nonlinear elastic network model proposed by Juanico et al. [1]. The FPU model can be also derived for arbitrary dimensions, under a small angular displacement assumption. The variable interaction range is a consequence of the spatial inhomogeneity in the equilibrium particle distribution. We here study some simple one-dimensional examples with only a few, well defined agglomeration regions. These agglomerations are seen to lead to spatially localized linear modes and gaps in the linear spectrum, which in turn imply a normal form that has spatially localized periodic orbits.

Winding-number excitation in one-dimensional oscillators with variable interaction range

At how long of an interaction range does an oscillator system behave as a fully-connected one? To answer this question, we consider a system of nonlocally-coupled phase oscillators in one dimension, and explore the effects of a variable interaction range L on collective dynamics. In particular, we investigate the winding-number distribution, paying particular attention to the existence of a twisted wave in the system, and observe that the twisted state vanishes when the interaction range exceeds a critical value. Finite-size scaling of the width of the winding-number distribution reveals that the transition occurs at 2L/N ≈ 0.6, regardless of the system size N. We also show that at the same transition point for the topological twisted state, the phase synchrony in the system becomes partial.

Accurate statistical associating fluid theory for chain molecules formed from Mie segments

A highly accurate equation of state (EOS) for chain molecules formed from spherical segments interacting through Mie potentials (i.e., a generalized Lennard-Jones form with variable repulsive and attractive exponents) is presented. The quality of the theoretical description of the vapour-liquid equilibria (coexistence densities and vapour pressures) and the second-derivative thermophysical properties (heat capacities, isobaric thermal expansivities, and speed of sound) are critically assessed by comparison with molecular simulation and with experimental data of representative real substances. Our new EOS represents a notable improvement with respect to previous versions of the statistical associating fluid theory for variable range interactions (SAFT-VR) of the generic Mie form. The approach makes rigorous use of the Barker and Henderson high-temperature perturbation expansion up to third order in the free energy of the monomer Mie system. The radial distribution function of the reference monomer fluid, which is a prerequisite for the representation of the properties of the fluid of Mie chains within a Wertheim first-order thermodynamic perturbation theory (TPT1), is calculated from a second-order expansion. The resulting SAFT-VR Mie EOS can now be applied to molecular fluids characterized by a broad range of interactions spanning from soft to very repulsive and short-ranged Mie potentials. A good representation of the corresponding molecular-simulation data is achieved for model monomer and chain fluids. When applied to the particular case of the ubiquitous Lennard-Jones potential, our rigorous description of the thermodynamic properties is of equivalent quality to that obtained with the empirical EOSs for LJ monomer (EOS of Johnson et al.) and LJ chain (soft-SAFT) fluids. A key feature of our reformulated SAFT-VR approach is the greatly enhanced accuracy in the near-critical region for chain molecules. This attribute, combined with the accurate modeling of second-derivative properties, allows for a much improved global representation of the thermodynamic properties and fluid-phase equilibria of pure fluids and their mixtures.

Entanglement Growth in Quench Dynamics with Variable Range Interactions

Studying entanglement growth in quantum dynamics provides both insight into the underlying microscopic processes and information about the complexity of the quantum states, which is related to the efficiency of simulations on classical computers. Recently, experiments with trapped ions, polar molecules, and Rydberg excitations have provided new opportunities to observe dynamics with long-range interactions. We explore nonequilibrium coherent dynamics after a quantum quench in such systems, identifying qualitatively different behavior as the exponent of algebraically decaying spin-spin interactions in a transverse Ising chain is varied. Computing the build-up of bipartite entanglement as well as mutual information between distant spins, we identify linear growth of entanglement entropy corresponding to propagation of quasiparticles for shorter range interactions, with the maximum rate of growth occurring when the Hamiltonian parameters match those for the quantum phase transition. Counter-intuitively, the growth of bipartite entanglement for long-range interactions is only logarithmic for most regimes, i.e., substantially slower than for shorter range interactions. Experiments with trapped ions allow for the realization of this system with a tunable interaction range, and we show that the different phenomena are robust for finite system sizes and in the presence of noise. These results can act as a direct guide for the generation of large-scale entanglement in such experiments, towards a regime where the entanglement growth can render existing classical simulations inefficient.

Emergence and Frustration of Magnetism with Variable-Range Interactions in a Quantum Simulator

Frustration, or the competition between interacting components of a network, is often responsible for the emergent complexity of many-body systems. For instance, frustrated magnetism is a hallmark of poorly understood systems such as quantum spin liquids, spin glasses, and spin ices, whose ground states can be massively degenerate and carry high degrees of quantum entanglement. Here, we engineer frustrated antiferromagnetic interactions between spins stored in a crystal of up to 16 trapped (171)Yb(+) atoms. We control the amount of frustration by continuously tuning the range of interaction and directly measure spin correlation functions and their coherent dynamics. This prototypical quantum simulation points the way toward a new probe of frustrated quantum magnetism and perhaps the design of new quantum materials.