The structure of the enigmatic ripple phase in saturated bilayers resolved: Machine learning reveals four lipid populations

A new mixed radial-angular, three-particle correlation function method in combination with unsupervised machine learning (ML) was applied to examine the emergence of the ripple phase in dipalmitoyphosphatidylcholine (DPPC) lipid bilayers using data from atomistic molecular dynamics (MD) simulations of system sizes ranging from 128 to 4,096 lipids. Based on the acyl tail conformations, the analysis revealed the presence of four distinct conformational populations of lipids in the ripple phases of the DPPC lipid bilayers. The expected gel- (ordered;Lo) and fluid-like (disordered;Ld) lipids are found along with their splayed tail equivalents (Lo,s and Ld,s). These lipids differ based on their gauche distribution and tail packing. The disordered (Ld)and disordered splayed (Ld,s) lipids spatially cluster in the ripple in the groove side,that is, in an asymmetric manner across the bilayer leaflets. The ripple phase does not contain large numbers of Ld lipids, instead they only exist on the interface of the groove side of the undulation. The bulk of the groove side is a complex coexistence of Lo,Lo,s and Ld,s lipids. The convex side of the undulation contains predominantly Lo lipids. Thus, the structure of the ripple phase is neither a simple coexistence of ordered and disordered lipids nor a coexistence of ordered interdigitating gel-like (Lo) and ordered splayed (Lo,s) lipids, but instead a coexistence of an ordered phase and a complex mixed phase. Principal component analysis (PCA) further confirmed the existence of the four lipid groups.

Two component quantum walk in one-dimensional lattice with hopping imbalance

We investigate the two-component quantum walk in one-dimensional lattice. We show that the inter-component interaction strength together with the hopping imbalance between the components exhibit distinct features in the quantum walk for different initial states. When the walkers are initially on the same site, both the slow and fast particles perform independent particle quantum walks when the interaction between them is weak. However, stronger inter-particle interactions result in quantum walks by the repulsively bound pair formed between the two particles. For different initial states when the walkers are on different sites initially, the quantum walk performed by the slow particle is almost independent of that of the fast particle, which exhibits reflected and transmitted components across the particle with large hopping strength for weak interactions. Beyond a critical value of the interaction strength, the wave function of the fast particle ceases to penetrate through the slow particle signalling a spatial phase separation. However, when the two particles are initially at the two opposite edges of the lattice, then the interaction facilitates the complete reflection of both of them from each other. We analyze the above mentioned features by examining various physical quantities such as the on-site density evolution, two-particle correlation functions and transmission coefficients.

Tensor-network Study of Correlation-spreading Dynamics in the Two-dimensional Bose-Hubbard Model

Recent developments in analog quantum simulators based on cold atoms and trapped ions call for cross-validating the accuracy of quantum-simulation experiments with use of quantitative numerical methods; however, it is particularly challenging for dynamics of systems with more than one spatial dimension. Here we demonstrate that a tensor-network method running on classical computers is useful for this purpose. We specifically analyze real-time dynamics of the two-dimensional Bose-Hubbard model after a sudden quench starting from the Mott insulator by means of the infinite projected entangled pair state algorithm. Calculated single-particle correlation functions are found to be in good agreement with a recent experiment [Y. Takasu et al., Sci. Adv. 6, eaba9255 (2020)]. By estimating the phase and group velocities from the single-particle and density-density correlation functions, we predict how these velocities vary in the moderate interaction region, which serves as a quantitative benchmark for future experiments.

Quantum Current Algebra Symmetry and Description of Boltzmann Type Kinetic Equations in Statistical Physics

We review a non-relativistic current algebra symmetry approach to constructing the Bogolubov generating functional of many-particle distribution functions and apply it to description of invariantly reduced Hamiltonian systems of the Boltzmann type kinetic equations, related to naturally imposed constraints on many-particle correlation functions. As an interesting example of deriving Vlasov type kinetic equations, we considered a quantum-mechanical model of spinless particles with delta-type interaction, having applications for describing so called Benney-type hydrodynamical praticle flows. We also review new results on a special class of dynamical systems of Boltzmann–Bogolubov and Boltzmann–Vlasov type on infinite dimensional functional manifolds modeling kinetic processes in many-particle media. Based on algebraic properties of the canonical quantum symmetry current algebra and its functional representations, we succeeded in dual analysis of the infinite Bogolubov hierarchy of many-particle distribution functions and their Hamiltonian structure. Moreover, we proposed a new approach to invariant reduction of the Bogolubov hierarchy on a suitably chosen correlation function constraint and deduction of the related modified Boltzmann–Bogolubov kinetic equations on a finite set of multi-particle distribution functions. There are also presented results of application of devised methods to describing kinetic properties of a many-particle system with an adsorbent surface, in particular, the corresponding kinetic equation for the occupation density distribution function is derived.

A Fourier-cumulant analysis for multiharmonic flow fluctuation

The Fourier analysis of the final particle distribution followed by cumulant study of the Fourier coefficient event-by-event fluctuation is one of the main approaches for testing the collective evolution in the heavy-ion collision. Using a multidimensional generating function, we propose a method to extract any possible cumulant of multiharmonic flow fluctuations and classify them in terms of the order of cumulants and harmonics involved in them. In particular, we show that there are 33 distinct cumulants with order 2, 3, 4, 5 and harmonics 2, 3, 4, 5. We compute the normalized version of these cumulants from hydrodynamic simulation for Pb–Pb collisions based on $$_\mathtt{R}$$ R ++. We compare the simulation with those normalized cumulants that the LHC has measured and predict the unmeasured ones. Comparing the initial and final state fluctuation normalized cumulants, we compute the linear and nonlinear hydrodynamic response couplings. We finally introduce the genuine three-particle correlation function containing information of all third-order cumulants.

Forward–backward multiplicity correlation and event-by-event multiplicity fluctuation in nucleus–nucleus collisions at 200A GeV

Correlation among singly charged particles emitted in the forward and backward pseudo-rapidity cones is measured in [Formula: see text]O-Ag/Br and [Formula: see text]S-Ag/Br interactions at an incident energy of [Formula: see text] GeV/nucleon. Event-by-event fluctuations in the charged particle multiplicities and their pseudo-rapidity values are also investigated in terms of some known statistical measures. Evidences of short-ranged particle correlation and cluster formation in the pseudo-rapidity space are found from our analysis. A microscopic transport model based on the Ultra-relativistic Quantum Molecular Dynamics could not match the experimental results. The differences between experimental observation and corresponding simulation could neither be accounted for even when a Bose–Einstein type of correlation effect is implemented into the simulated data.

Single gold nanostars with multiple branches as multispectral orientation probes in single-particle rotational tracking

Herein, we performed a single-particle correlation study to characterize the optical properties of gold nanostars (AuNSs) with multiple sharp branches under dark-field (DF) and differential interference contrast (DIC) microscopy, and to examine their use as multispectral orientation probes.

Energy redistribution and spatiotemporal evolution of correlations after a sudden quench of the Bose-Hubbard model

An optical lattice quantum simulator is an ideal experimental platform to investigate nonequilibrium dynamics of a quantum many-body system, which is, in general, hard to simulate with classical computers. Here, we use our quantum simulator of the Bose-Hubbard model to study dynamics far from equilibrium after a quantum quench. We successfully confirm the energy conservation law in the one- and three-dimensional systems and extract the propagation velocity of the single-particle correlation in the one- and two-dimensional systems. We corroborate the validity of our quantum simulator through quantitative comparisons between the experiments and the exact numerical calculations in one dimension. In the computationally hard cases of two or three dimensions, by using the quantum-simulation results as references, we examine the performance of a numerical method, namely, the truncated Wigner approximation, revealing its usefulness and limitation. This work constitutes an exemplary case for the usage of analog quantum simulators.

Diagnosing collisionless energy transfer using field–particle correlations: Alfvén-ion cyclotron turbulence

We apply field–particle correlations – a technique that tracks the time-averaged velocity-space structure of the energy density transfer rate between electromagnetic fields and plasma particles – to data drawn from a hybrid Vlasov–Maxwell simulation of Alfvén-ion cyclotron turbulence. Energy transfer in this system is expected to include both Landau and cyclotron wave–particle resonances, unlike previous systems to which the field–particle correlation technique has been applied. In this simulation, the energy transfer rate mediated by the parallel electric field $E_{\Vert }$ comprises approximately 60 % of the total rate, with the remainder mediated by the perpendicular electric field $E_{\bot }$ . The parallel electric field resonantly couples to protons, with the canonical bipolar velocity-space signature of Landau damping identified at many points throughout the simulation. The energy transfer mediated by $E_{\bot }$ preferentially couples to particles with $v_{tp}\lesssim v_{\bot }\lesssim 3v_{tp}$ , where $v_{tp}$ is the proton thermal speed, in agreement with the expected formation of a cyclotron diffusion plateau. Our results demonstrate clearly that the field–particle correlation technique can distinguish distinct channels of energy transfer using single-point measurements, even at points in which multiple channels act simultaneously, and can be used to determine quantitatively the rates of particle energization in each channel.