Scholarly Works, Physics

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Stochastic spatial Lotka-Volterra predator-prey models
Täuber, Uwe C. (World Scientific, 2024-10-15)
Dynamical models of interacting populations are of fundamental interest for spontaneous pattern formation and other noise-induced phenomena in nonequilibrium statistical physics. Theoretical physics in turn provides a quantitative toolbox for paradigmatic models employed in (bio-)chemistry, biology, ecology, epidemiology, and even sociology. Stochastic, spatially extended models for predator-prey interaction display spatio-temporal structures that are not captured by the Lotka– Volterra mean-field rate equations. These spreading activity fronts reflect persistent correlations between predators and prey that can be analyzed through field-theoretic methods. Introducing local restrictions on the prey population induces a predator extinction threshold, with the critical dynamics at this continuous active-to-absorbing state transition governed by the scaling exponents of directed percolation. Novel features in biologically motivated model variants include the stabilizing effect of a periodically varying carrying capacity that describes seasonally oscillating resource availability; enhanced mean species densities and local fluctuations caused by spatially varying reaction rates; and intriguing evolutionary dynamics emerging when variable interaction rates are affixed to individuals combined with trait inheritance to their offspring. The basic susceptible-infected-susceptible and susceptible-infected-recovered models for infectious disease spreading near their epidemic thresholds are respectively captured by the directed and dynamic isotropic percolation universality classes. Systems with three cyclically competing species akin to spatial rock-paper-scissors games may display striking spiral patterns, yet conservation laws can prevent such noise-induced structure formation. In diffusively coupled inhomogeneous settings, one may observe the stabilization of vulnerable ecologies prone to finite-size extinction or fixation due to immigration waves emanating from the interfaces.
Computing macroscopic reaction rates in reaction-diffusion systems using Monte Carlo simulations
Swailem, Mohamed; Täuber, Uwe C. (2024-07-17)
Stochastic reaction-diffusion models are employed to represent many complex physical, biological, societal, and ecological systems. The macroscopic reaction rates describing the large-scale, longtime kinetics in such systems are effective, scale-dependent renormalized parameters that need to be either measured experimentally or computed by means of a microscopic model. In a Monte Carlo simulation of stochastic reaction-diffusion systems, microscopic probabilities for specific events to happen serve as the input control parameters. To match the results of any computer simulation to observations or experiments carried out on the macroscale, a mapping is required between the microscopic probabilities that define the Monte Carlo algorithm and the macroscopic reaction rates that are experimentally measured. Finding the functional dependence of emergent macroscopic rates on the microscopic probabilities (subject to specific rules of interaction) is a very difficult problem, and there is currently no systematic, accurate analytical way to achieve this goal. Therefore, we introduce a straightforward numerical method of using lattice Monte Carlo simulations to evaluate the macroscopic reaction rates by directly obtaining the count statistics of how many events occur per simulation time step. Our technique is first tested on well-understood fundamental examples, namely restricted birth processes, diffusion-limited two-particle coagulation, and two-species pair annihilation kinetics. Next we utilize the thus gained experience to investigate how the microscopic algorithmic probabilities become coarse-grained into effective macroscopic rates in more complex model systems such as the Lotka–Volterra model for predator-prey competition and coexistence, as well as the rock-paper-scissors or cyclic Lotka–Volterra model as well as its May–Leonard variant that capture population dynamics with cyclic dominance motifs. Thereby we achieve a more thorough and deeper understanding of coarse-graining in spatially extended stochastic reaction-diffusion systems and the nontrivial relationships between the associated microscopic and macroscopic model parameters, with a focus on ecological systems. The proposed technique should generally provide a useful means to better fit Monte Carlo simulation results to experimental or observational data.
Generalized symmetries in 2D from string theory: SymTFTs, intrinsic relativeness, and anomalies of non-invertible symmetries
Franco, Sebastián; Yu, Xingyang (2024-11-05)
Generalized global symmetries, in particular non-invertible and categorical symmetries, have become a focal point in the recent study of quantum field theory (QFT). In this paper, we investigate aspects of symmetry topological field theories (SymTFTs) and anomalies of non-invertible symmetries for 2D QFTs from a string theory perspective. Our primary focus is on an infinite class of 2D QFTs engineered on D1-branes probing toric Calabi-Yau 4-fold singularities. We derive 3D SymTFTs from the topological sector of IIB supergravity and discuss the resulting 2D QFTs, which can be intrinsically relative or absolute. For intrinsically relative QFTs, we propose a sufficient condition for them to exist. For absolute QFTs, we show that they exhibit non-invertible symmetries with an elegant brane origin. Furthermore, we find that these non-invertible symmetries can suffer from anomalies, which we discuss from a top-down perspective. Explicit examples are provided, including theories for Y(p,k)(ℙ2), Y(2,0)(ℙ1 × ℙ1), and ℂ4/ℤ4 geometries.
Decomposition squared
Sharpe, Eric R.; Zhang, H. (2024-10-23)
Abstract In this paper, we test and extend a proposal of Gu, Pei, and Zhang for an application of decomposition to three-dimensional theories with one-form symmetries and to quantum K theory. The theories themselves do not decompose, but, OPEs of parallel one-dimensional objects (such as Wilson lines) and dimensional reductions to two dimensions do decompose, sometimes in two independent ways. We apply this to extend conjectures for quantum K theory rings of gerbes (realized by three-dimensional gauge theories with one-form symmetries) via both orbifold partition functions and gauged linear sigma models.
Chern-Simons theory, decomposition, and the A model
Pantev, Tony; Sharpe, Eric; Yu, Xingyang (2024-10-15)
In this paper, we discuss how gauging one-form symmetries in Chern-Simons theories is implemented in an A-twisted topological open string theory. For example, the contribution from a fixed H/Z bundle on a three-manifold M, arising in a BZ gauging of H Chern-Simons, for Z a finite subgroup of the center of H, is described by an open string worldsheet theory whose bulk is a sigma model with target a Z-gerbe (a bundle of one-form symmetries) over T∗M, of characteristic class determined by the H/Z bundle. We give a worldsheet picture of the decomposition of one-form-symmetry-gauged Chern-Simons in three dimensions, and we describe how a target-space constraint on bundles arising in the gauged Chern-Simons theory has a natural worldsheet realization. Our proposal provides examples of the expected correspondence between worldsheet global higher-form symmetries, and target-space gauged higher-form symmetries.
A machine-learning approach for differentiating borderline personality disorder from community participants with brain-wide functional connectivity
Lahnakoski, Juha M.; Nolte, Tobias; Solway, Alec; Vilares, Iris; Hula, Andreas; Feigenbaum, Janet; Lohrenz, Terry; Casas, Brooks; Fonagy, Peter; Montague, P. Read; Schilbach, Leonhard (Elsevier, 2024-05-26)
Background: Functional connectivity has garnered interest as a potential biomarker of psychiatric disorders including borderline personality disorder (BPD). However, small sample sizes and lack of within-study replications have led to divergent findings with no clear spatial foci. Aims: Evaluate discriminative performance and generalizability of functional connectivity markers for BPD. Method: Whole-brain fMRI resting state functional connectivity in matched subsamples of 116 BPD and 72 control individuals defined by three grouping strategies. We predicted BPD status using classifiers with repeated cross-validation based on multiscale functional connectivity within and between regions of interest (ROIs) covering the whole brain—global ROI-based network, seed-based ROI-connectivity, functional consistency, and voxel-to-voxel connectivity—and evaluated the generalizability of the classification in the left-out portion of non-matched data. Results: Full-brain connectivity allowed classification (∼70 %) of BPD patients vs. controls in matched inner cross-validation. The classification remained significant when applied to unmatched out-of-sample data (∼61–70 %). Highest seed-based accuracies were in a similar range to global accuracies (∼70–75 %), but spatially more specific. The most discriminative seed regions included midline, temporal and somatomotor regions. Univariate connectivity values were not predictive of BPD after multiple comparison corrections, but weak local effects coincided with the most discriminative seed-ROIs. Highest accuracies were achieved with a full clinical interview while self-report results remained at chance level. Limitations: The accuracies vary considerably between random sub-samples of the population, global signal and covariates limiting the practical applicability. Conclusions: Spatially distributed functional connectivity patterns are moderately predictive of BPD despite heterogeneity of the patient population.
Generation of genuine all-way entanglement in defect-nuclear spin systems through dynamical decoupling sequences
Takou, Evangelia; Barnes, Edwin Fleming; Economou, Sophia E. (2024-03-28)
Multipartite entangled states are an essential resource for sensing, quantum error correction, and cryptography. Color centers in solids are one of the leading platforms for quantum networking due to the availability of a nuclear spin memory that can be entangled with the optically active electronic spin through dynamical decoupling sequences. Creating electron-nuclear entangled states in these systems is a difficult task as the always-on hyperfine interactions prohibit complete isolation of the target dynamics from the unwanted spin bath. While this emergent cross-talk can be alleviated by prolonging the entanglement generation, the gate durations quickly exceed coherence times. Here we show how to prepare high-quality GHZM- like states with minimal cross-talk. We introduce the M-tangling power of an evolution operator, which allows us to verify genuine all-way correlations. Using experimentally measured hyperfine parameters of an NV center spin in diamond coupled to carbon-13 lattice spins, we show how to use sequential or single-shot entangling operations to prepare GHZM-like states of up to M = 10 qubits within time constraints that saturate bounds on M-way correlations. We study the entanglement of mixed electron-nuclear states and develop a non-unitary M-tangling power which additionally captures correlations arising from all unwanted nuclear spins. We further derive a non-unitary M-tangling power which incorporates the impact of electronic dephasing errors on the M-way correlations. Finally, we inspect the performance of our protocols in the presence of experimentally reported pulse errors, finding that XY decoupling sequences can lead to high-fidelity GHZ state preparation.
Deterministic Generation of Qudit Photonic Graph States from Quantum Emitters
Raissi, Zahra; Barnes, Edwin Fleming; Economou, Sophia E. (American Physical Society, 2024-05-29)
We propose and analyze deterministic protocols to generate qudit photonic graph states from quantum emitters. We show that our approach can be applied to generate any qudit graph state and we exemplify it by constructing protocols to generate one- and two-dimensional qudit cluster states, absolutely maximally entangled states, and logical states of quantum error-correcting codes. Some of these protocols make use of time-delayed feedback, while others do not. The only additional resource requirement compared to the qubit case is the ability to control multilevel emitters. These results significantly broaden the range of multiphoton entangled states that can be produced deterministically from quantum emitters.
Notes on gauging noninvertible symmetries. Part I. Multiplicity-free cases
Perez-Lona, Alonso; Robbins, D.; Sharpe, E.; Vandermeulen, T.; Yu, X. (2024-02-21)
In this paper we discuss gauging noninvertible zero-form symmetries in two dimensions. We specialize to certain gaugeable cases, specifically, fusion categories of the form for a suitable Hopf algebra (which includes the special case Rep(G) for G a finite group). We also specialize to the case that the fusion category is multiplicity-free. We discuss how to construct a modular-invariant partition function from a choice of Frobenius algebra structure on . We discuss how ordinary G orbifolds for finite groups G are a special case of the construction, corresponding to the fusion category Vec(G) = Rep(ℂ[G]*). For the cases Rep(S3), Rep(D4), and Rep(Q8), we construct the crossing kernels for general intertwiner maps. We explicitly compute partition functions in the examples of Rep(S3), Rep(D4), Rep(Q8), and , and discuss applications in c = 1 CFTs. We also discuss decomposition in the special case that the entire noninvertible symmetry group acts trivially.
Dopamine and serotonin in human substantia nigra track social context and value signals during economic exchange
Batten, Seth R.; Bang, Dan; Kopell, Brian H.; Davis, Arianna N.; Heflin, Matthew; Fu, Qixiu; Perl, Ofer; Ziafa, Kimia; Hashemi, Alice; Saez, Ignacio; Barbosa, Leonardo S.; Twomey, Thomas; Lohrenz, Terry; White, Jason P.; Dayan, Peter; Charney, Alexander W.; Figee, Martijn; Mayberg, Helen S.; Kishida, Kenneth T.; Gu, Xiaosi; Montague, P. Read (Nature Research, 2024-02-26)
Dopamine and serotonin are hypothesized to guide social behaviours. In humans, however, we have not yet been able to study neuromodulator dynamics as social interaction unfolds. Here, we obtained subsecond estimates of dopamine and serotonin from human substantia nigra pars reticulata during the ultimatum game. Participants, who were patients with Parkinson’s disease undergoing awake brain surgery, had to accept or reject monetary offers of varying fairness from human and computer players. They rejected more offers in the human than the computer condition, an effect of social context associated with higher overall levels of dopamine but not serotonin. Regardless of the social context, relative changes in dopamine tracked trial-by-trial changes in offer value—akin to reward prediction errors—whereas serotonin tracked the current offer value. These results show that dopamine and serotonin fluctuations in one of the basal ganglia’s main output structures reflect distinct social context and value signals.
Molecular modeling of Poly(methyl methacrylate-block-acrylonitrile) as Precursors of Porous Carbon Fibers
Hao, Xi; Serrano, Joel; Liu, Guoliang; Cheng, Shengfeng (2023-04-22)
Inducing stratification of colloidal mixtures with a mixed binary solvent
Liu, Binghan; Grest, Gary S.; Cheng, Shengfeng (Royal Society of Chemistry, 2023-12-06)
Molecular dynamics simulations are used to demonstrate that a binary solvent can be used to stratify colloidal mixtures when the suspension is rapidly dried. The solvent consists of two components, one more volatile than the other. When evaporated at high rates, the more volatile component becomes depleted near the evaporation front and develops a negative concentration gradient from the bulk of the mixture to the liquid-vapor interface while the less volatile solvent is enriched in the same region and exhibit a positive concentration gradient. Such gradients can be used to drive a binary mixture of colloidal particles to stratify if one is preferentially attracted to the more volatile solvent and the other to the less volatile solvent. During solvent evaporation, the fraction of colloidal particles preferentially attracted to the less volatile solvent is enhanced at the evaporation front, whereas the colloidal particles having stronger attractions with the more volatile solvent are driven away from the interfacial region. As a result, the colloidal particles show a stratified distribution after drying, even if the two colloids have the same size.
Chain conformations and phase separation in polymer solutions with varying solvent quality
Huang, Yisheng; Cheng, Shengfeng (Wiley, 2021-10-02)
Molecular dynamics simulations are used to investigate the conformations of a single polymer chain, represented by the Kremer-Grest bead-spring model, in a solution with a Lennard-Jones liquid as the solvent when the interaction strength between the polymer and solvent is varied. Results show that when the polymer-solvent interaction is unfavorable, the chain collapses as one would expect in a poor solvent. For more attractive polymer-solvent interactions, the solvent quality improves and the chain is increasingly solvated and exhibits ideal and then swollen conformations. However, as the polymer-solvent interaction strength is increased further to be more than about twice the strength of the polymer-polymer and solvent-solvent interactions, the chain exhibits an unexpected collapsing behavior. Correspondingly, for strong polymer-solvent attractions, phase separation is observed in the solutions of multiple chains. These results indicate that the solvent becomes effectively poor again at very attractive polymer-solvent interactions. Nonetheless, the mechanism of chain collapsing and phase separation in this limit differs from the case with a poor solvent rendered by unfavorable polymer-solvent interactions. In the latter, the solvent is excluded from the domain of the collapsed chains while in the former, the solvent is still present in the pervaded volume of a collapsed chain or in the polymer-rich domain that phase separates from the pure solvent. In the limit of strong polymer-solvent attractions, the solvent behaves as a glue to stick monomers together, causing a single chain to collapse and multiple chains to aggregate and phase separate.
The effects of molecular and nanoscopic additives on phospholipid membranes
Kumarage, Teshani; Morris, Nicholas B.; Ashkar, Rana (Frontiers, 2023-11-20)
Lipid bilayers—the main matrix of cell membranes—are a paradigm of soft molecular assemblies whose properties have been evolutionarily optimized to satisfy the functional requirements of cells. For instance, lipid bilayers must be rigid enough to serve as the protective barrier between cells and their environment, yet fluid enough to enable the diffusion of proteins and molecular clusters necessary for biological functions. Inspired by their biological multifunctionality, lipid membranes have also been used as a central design element in many practical applications including artificial cells, drug nanocarriers, and biosensors. Whether biological or synthetic, lipid membranes often involve molecular or nanoscopic additives that modulate the membrane properties through various mechanisms. Hence, how lipid membranes respond to additives has justifiably drawn much attention in recent years. This review summarizes findings and observations on different classes of additives and their effects on structural, thermodynamic, elastic, and dynamical membrane properties that are central to biological function or synthetic membrane performance. The review primarily focuses on phospholipids as a major component of cell membranes and a widely used lipid type in synthetic membrane designs.
Diffusiophoresis as a physical mechanism underlying small-on-top stratification in evaporating bidisperse nanoparticle suspensions
Liu, Binghan; Grest, Gary; Cheng, Shengfeng (2023-05-17)
Quantum K theory of partial flag manifolds
Mihalcea, Constantin; Sharpe, Eric; Gu, Wei; Zhang, Hao; Xu, Weihong; Zou, Hao (Elsevier, 2024-04)
In this paper we use three-dimensional gauged linear sigma models to make physical predictions for Whitney-type presentations of equivariant quantum K theory rings of partial flag manifolds, as quantum products of universal subbundles and various ratios, extending previous work for Grassmannians. Physically, these arise as OPEs of Wilson lines for certain Chern-Simons levels. We also include a simplified method for computing Chern-Simons levels pertinent to standard quantum K theory.
Quantum K Whitney relations for partial flag varieties
Gu, Wei; Mihalcea, Leonardo C.; Sharpe, Eric; Xu, Weihong; Zhang, Hao; Zou, Hao (2023-10-05)
In a recent paper, we stated conjectural presentations for the equivariant quantum K ring of partial flag varieties, motivated by physics considerations. In this companion paper, we analyze these presentations mathematically. We prove that if the conjectured relations hold, then they must form a complete set of relations. Our main result is a proof of the conjectured presentation in the case of the incidence varieties. We also show that if a quantum K divisor axiom holds (as conjectured by Buch and Mihalcea), then the conjectured presentation also holds for the complete flag variety.
Quantum cohomology from mixed Higgs-Coulomb phases
Gu, Wei; Melnikov, Ilarion V.; Sharpe, Eric (2024-02-01)
We generalize Coulomb-branch-based gauged linear sigma model (GLSM)–computations of quantum cohomology rings of Fano spaces. Typically such computations have focused on GLSMs without superpotential, for which the low energy limit of the GLSM is a pure Coulomb branch, and quantum cohomology is determined by the critical locus of a twisted one-loop effective superpotential. We extend these results to cases for which the low energy limit of the GLSM includes both Coulomb and Higgs branches, where the latter is a Landau-Ginzburg orbifold. We describe the state spaces and products of corresponding operators in detail, comparing a geometric phase description, where the operator product ring is quantum cohomology, to the description in terms of Coulomb and Higgs branch states. As a concrete test of our methods, we compare to existing mathematics results for quantum cohomology rings of hypersurfaces in projective spaces.
Neutrino Flavor Model Building and the Origins of Flavor and CP Violation
Almumin, Yahya; Chen, Mu-Chun; Cheng, Murong; Knapp-Pérez, Víctor; Li, Yulun; Mondol, Adreja; Ramos-Sánchez, Saúl; Ratz, Michael; Shukla, Shreya (MDPI, 2023-12-12)
The neutrino sector offers one of the most sensitive probes of new physics beyond the Standard Model of Particle Physics (SM). The mechanism of neutrino mass generation is still unknown. The observed suppression of neutrino masses hints at a large scale, conceivably of the order of the scale of a rand unified theory (GUT), which is a unique feature of neutrinos that is not shared by the charged fermions. The origin of neutrino masses and mixing is part of the outstanding puzzle of fermion masses and mixings, which is not explained ab initio in the SM. Flavor model building for both quark and lepton sectors is important in order to gain a better understanding of the origin of the structure of mass hierarchy and flavor mixing, which constitute the dominant fraction of the SM parameters. Recent activities in neutrino flavor model building based on non-Abelian discrete flavor symmetries and modular flavor symmetries have been shown to be a promising direction to explore. The emerging models provide a framework that has a significantly reduced number of undetermined parameters in the flavor sector. In addition, such a framework affords a novel origin of CP violation from group theory due to the intimate connection between physical CP transformation and group theoretical properties of non-Abelian discrete groups. Model building based on non-Abelian discrete flavor symmetries and their modular variants enables the particle physics community to interpret the current and anticipated upcoming data from neutrino experiments. Non-Abelian discrete flavor symmetries and their modular variants can result from compactification of a higher-dimensional theory. Pursuit of flavor model building based on such frameworks thus also provides the connection to possible UV completions: in particular, to string theory. We emphasize the importance of constructing models in which the uncertainties of theoretical predictions are smaller than, or at most compatible with, the error bars of measurements in neutrino experiments. While there exist proof-of-principle versions of bottom-up models in which the theoretical uncertainties are under control, it is remarkable that the key ingredients of such constructions were discovered first in top-down model building. We outline how a successful unification of bottom-up and top-down ideas and techniques may guide us towards a new era of precision flavor model building in which future experimental results can give us crucial insights into the UV completion of the SM.
Room-Temperature Intrinsic and Extrinsic Damping in Polycrystalline Fe Thin Films
Wu, Shuang; Smith, David A.; Nakarmi, Prabandha; Rai, Anish; Clavel, Michael; Hudait, Mantu K.; Zhao, Jing; Michel, F. Marc; Mewes, Claudia; Mewes, Tim; Emori, Satoru (2021-09-08)
We examine room-temperature magnetic relaxation in polycrystalline Fe films. Out-of-plane ferromagnetic resonance (FMR) measurements reveal Gilbert damping parameters of $\approx$ 0.0024 for Fe films with thicknesses of 4-25 nm, regardless of their microstructural properties. The remarkable invariance with film microstructure strongly suggests that intrinsic Gilbert damping in polycrystalline metals at room temperature is a local property of nanoscale crystal grains, with limited impact from grain boundaries and film roughness. By contrast, the in-plane FMR linewidths of the Fe films exhibit distinct nonlinear frequency dependences, indicating the presence of strong extrinsic damping. To fit our in-plane FMR data, we have used a grain-to-grain two-magnon scattering model with two types of correlation functions aimed at describing the spatial distribution of inhomogeneities in the film. However, neither of the two correlation functions is able to reproduce the experimental data quantitatively with physically reasonable parameters. Our findings advance the fundamental understanding of intrinsic Gilbert damping in structurally disordered films, while demonstrating the need for a deeper examination of how microstructural disorder governs extrinsic damping.

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