Time Evolution Equations Research Articles

MomentClosure.jl: automated moment closure approximations in Julia.

SummaryMomentClosure.jl is a Julia package providing automated derivation of the time-evolution equations of the moments of molecule numbers for virtually any chemical reaction network using a wide range of moment closure approximations. It extends the capabilities of modelling stochastic biochemical systems in Julia and can be particularly useful when exact analytic solutions of the chemical master equation are unavailable and when Monte Carlo simulations are computationally expensive.Availability and implementationMomentClosure.jl is freely accessible under the MIT licence. Source code and documentation are available at https://github.com/augustinas1/MomentClosure.jl.

Oscillation dynamics of scalarized neutron stars

Scalar-tensor theories are well-studied extensions of general relativity that offer deviations which are yet within observational boundaries. We present the time evolution equations governing the perturbations of a nonrotating scalarized neutron star, including a dynamic spacetime as well as scalar field within the framework of such scalar-tensor theories. We employ a theory that allows for a massive scalar field or a self-interaction term and we study the impact of those parameters on the nonaxisymmetric $f$-mode. The time evolution approach allows for a comparatively simple implementation of the boundary conditions. We find that the $f$-mode frequency is no longer a simple function of the star's average density when a scalar field is present. We also evaluate the accuracy of different variants of the Cowling approximation commonly used in previous studies of neutron star oscillation modes in alternative theories of gravity and demonstrate that it can give us not only qualitatively correct results, but in some cases also good quantitative estimates of the oscillations frequencies.

Mpemba-like effect in driven binary mixtures

The Mpemba effect occurs when two samples at different initial temperatures evolve in such a way that the temperatures cross each other during the relaxation toward equilibrium. In this paper, we show the emergence of a Mpemba-like effect in a molecular binary mixture in contact with a thermal reservoir (bath). The interaction between the gaseous particles of the mixture and the thermal reservoir is modeled via a viscous drag force plus a stochastic Langevin-like term. The presence of the external bath couples the time evolution of the total and partial temperatures of each component allowing the appearance of the Mpemba phenomenon, even when the initial temperature differences are of the same order of the temperatures themselves. Analytical results are obtained by considering multitemperature Maxwellian approximations for the velocity distribution functions of each component. The theoretical analysis is carried out for initial states close to and far away (large Mpemba-like effect) from equilibrium. The former situation allows us to develop a simple theory where the time evolution equation for the temperature is linearized around its asymptotic equilibrium solution. This linear theory provides an expression for the crossover time. We also provide a qualitative description of the large Mpemba effect. Our theoretical results agree very well with computer simulations obtained by numerically solving the Enskog kinetic equation by means of the direct simulation Monte Carlo method and by performing molecular dynamics simulations. Finally, preliminary results for driven granular mixtures also show the occurrence of a Mpemba-like effect for inelastic collisions.

Wigner wave packets: Transmission, reflection, and tunneling

A numerical solution to the time evolution equation of the Wigner distribution function (WDF) with an accuracy necessary to simulate the passage of a wave packet past a barrier is developed, where quantum effects require high accuracy and fine discretization. A wave packet incident on a barrier, a portion of which tunnels through, demonstrates behavior that can define various characteristic transmission and reflection delay (TARD) times useful in the simulation of electron emission. A model for the TARD times is proposed that relies only on the asymptotic maxima of the position $\ensuremath{\rho}(x,t)$ and wave number $\ensuremath{\rho}(k,t)$ densities given by the WDF and applied to a ballistic trajectory model for the (faster) transmitted and (slower) reflected parts. The dependence of the TARD times on barrier width, symmetry, and abruptness is analyzed. For symmetrical barriers with characteristics similar to field emission barrier heights and widths, TARD times are on the order of a fraction of a femtosecond. The TARD times for when tunneling predominates are contrasted to tunneling times in the literature. Use of the TARD times in simulations of field emission in nanogap devices or to model ultrashort pulses generated under rapidly changing conditions for electron sources are proposed.

On relativistic quantum mechanics of the Majorana particle: quaternions, paired plane waves, and orthogonal representations of the Poincaré group

The standard momentum operator −i∇ has the trivial domain (the null vector) if the L 2 Hilbert space consists of only real-valued functions. In consequence, it is useless in quantum mechanics of the relativistic Majorana particle which is formulated in such a Hilbert space. Instead, one can consider the axial momentum operator introduced in (2019) Phys. Lett. A 383 1242. In the present paper we report several new results which elucidate usability of the axial momentum observable. First, a new motivation for the axial momentum is given, and the Heisenberg uncertainty relation checked. Next, we show that the general solution of time evolution equation written in the axial momentum basis has a connection with quaternions. Furthermore, it turns out that in the case of massive Majorana particles, single traveling monochromatic plane waves are not possible, but there exist solutions which have the form of two plane waves traveling in opposite directions. Another issue discussed here in detail is relativistic invariance. A single real, orthogonal and irreducible representation of the Poincaré group—consistent with the lack of antiparticle—is unveiled.

An analytical scheme on complete integrability of 2D biophysical excitable systems

We report a method to find the complete integrability and analytical scheme of a well-known two dimensional (2D) excitable biophysical system that includes a coupled non-linear ordinary differential equations (ODEs). We demonstrate the integrability of the autonomous FitzHugh–Nagumo (FHN) dynamical system for the time evolution equations of motion and briefly describe the solution procedure using the extended Prelle–Singer (PS) scheme without perturbation and series solution method. To illustrate the mathematical formulation procedure, both the time independent and time dependent integrals have been derived by using the extended PS method. Finally, the numerical solution of the integrals has been found with the original dynamical model. It also allows us to establish the integrability of another type of an analytical technique for the deterministic system and this explores the quantitative applicability of the method. Interestingly, the method may have significant applications in other physical systems.

Pseudo-Spectrum Based Track-Before-Detect for Weak Maneuvering Targets in Range-Doppler Plane

Track-before-detect (TBD) of weak maneuvering targets in range-Doppler plane is investigated. The existing TBD methods suffer from performance degradation due to the use of approximate motion models in range-Doppler plane. In this paper, exact time evolving rules of target range and Doppler are presented for constant acceleration (CA) and coordinated turn (CT) motions in Cartesian coordinates, and two novel pseudo-spectrum based TBD approaches are proposed for effective detection of weak CA and CT targets in range-Doppler plane, respectively. In accordance with the common CA and CT motions in Cartesian coordinates, the accurate time evolution equations of range and Doppler are derived for CA and CT targets, respectively, which are nonlinear functions of range-Doppler and several invariable parameters. Then, the pseudo-spectrum based TBD of CA and CT targets in range-Doppler plane is performed by matching these invariants. Each range-Doppler cell is predicted according to the exact evolution equation. A pseudo-spectrum is constructed around the predicted position, and sample values of the pseudo-spectrum are added onto cells for energy integration. This eliminates performance loss caused by model mismatch and target output envelope can be well maintained. To deal with the unknown target parameters, two pseudo-spectrum based matched filter banks are proposed for CA and CT targets, respectively. Analysis and design of the filter banks are provided in detail. Simulations are conducted to evaluate the validity of the proposed methods in handling weak maneuvering targets.

Evolution of space-like curves and special time-like ruled surfaces in the Minkowski space

In this paper, we get the time evolution equations of the curvature and torsion of the evolving spacelike curves in the Minkowski space. Also, we give inextensible evolutions of timelike ruled surfaces that are produced by the timelike normal and spacelike binormal vector fields of spacelike curve and derive the necessary conditions for an inelastic surface evolution. Then, we compute the coefficients of the first and second fundamental forms, the Gauss and mean curvatures for timelike special ruled surfaces. As a result, we give applications of the evolution equations for the curvatures of the curve in terms of the velocities and get the exact solutions for these new equations.

Slow quench dynamics in classical systems: kinetic Ising model and zero-range process

While a large number of studies have focused on the nonequilibrium dynamics of a system when it is quenched instantaneously from a disordered phase to an ordered phase, such dynamics have been relatively less explored when the quench occurs at a finite rate. Here, we study the slow quench dynamics in two paradigmatic models of classical statistical mechanics, a one-dimensional kinetic Ising model and a mean-field zero-range process, when the system is annealed slowly to the critical point. Starting from the time evolution equations for the spin–spin correlation function in the Ising model and the mass distribution in the zero-range process, we derive the Kibble–Zurek scaling laws. We then test a recent proposal that critical coarsening, which is ignored in the Kibble–Zurek argument, plays a role in the nonequilibrium dynamics close to the critical point. We find that the defect density in the Ising model and a scaled mass distribution in the zero-range process decay linearly to their respective values at the critical point with the time remaining until the end of the quench provided the final quench point is approached sufficiently fast, and sublinearly otherwise. As the linear scaling for the approach to the critical point also holds when a system following an instantaneous quench is allowed to coarsen for a finite time interval, we conclude that critical coarsening captures the scaling behavior in the vicinity of the critical point if the annealing is not too slow.

Thermo-mechanical coupled incremental variational formulation for thermosetting resins subjected to curing process

This study presents an incremental variational formulation (IVF) for the thermo-mechanical problem of resin products subjected to curing, for which a dual dissipation potential (DDP) for the cure state is originally derived in conjunction with that for viscoelasticity. Following the thermodynamically consistent formulation for the time evolution equation of the degree of cure (DOC) of a thermosetting resin and the linear viscoelastic law, we derive these DDPs by way of Legendre-Fenchel transformations with respect to characteristic dissipations. The evolution of DOC is then casted into the flow rule in mathematical theory of plasticity with the introduction of the curing multiplier as a new internal state variable in an analogous fashion to Perzyna’s viscoplastic regularization theory. Then, the pseudo stress is introduced as a new internal state variable to parameterize the derived flow rule of DOC. By virtue of this pseudo stress, we naturally define an incremental variational problem constrained by the parameterized flow rule in order to construct a semi-implicit scheme for the variational constitutive update. The finite element discretization is applied to the governing equations that satisfy the stationary conditions so that we could perform thermo-mechanical analyses of a thermosetting resin subjected to curing with the strong coupling procedure. The verification analysis is conducted to confirm the validity of the numerical result obtained by the proposed method in comparison with that of the conventional framework and followed by a demonstrative numerical example to simulate the stress development and relaxation in a virtual device subjected to different thermal histories.

New models of normal motions of the inextensible curves according to type-1 Bishop frame in ℝ3

In this work, we compute the time evolution equations (TEEs) of the type-1 Bishop frame of the curve. Also, we study the time evolution equations for type-1 Bishop curvatures (TEEBCs) as a system of partial differential equations (PDEs). Through this study, we give a necessary and sufficient condition for the normal and binormal Bishop velocities. Also, we construct new models of normal motions of inextensible curves in [Formula: see text]. These models are constructed for curves that move according to the type-1 Bishop frame. Also, we make a comparison study between surfaces obtained by the motions of inextensible curves according to the two frames, the type-1 Bishop frame and the Frenet frame.

Adiabatic Trajectory Approximation within the Framework of Mixed Quantum/Classical Theory.

A hierarchy of approximate methods is proposed for solving the equations of motion within a framework of the mixed quantum/classical theory (MQCT) of inelastic molecular collisions. Of particular interest is a limiting case: the method in which the classical-like equations of motion for the translational degrees of freedom (scattering) are decoupled from the quantum-like equations for time evolution of the internal molecular states (rotational and vibrational). In practice, trajectories are pre-computed during the first step of calculations with driving forces determined solely by the potential energy surface of the entrance channel, which is an adiabatic trajectory approximation. Quantum state-to-state transition probabilities are computed in the second step of calculations with an expanded basis and very efficient step-size adjustment. Application of this method to H2O + H2 rotationally inelastic scattering shows a significant computational speedup by 2 orders of magnitude. The results of this approximate propagation scheme are still rather accurate, as demonstrated by benchmarking against more rigorous calculations in which the quantum and classical equations of motion are held coupled and against the full-quantum coupled-channel calculations from the literature. It is concluded that the AT-MQCT method (the adiabatic trajectory version of MQCT) represents a promising tool for the computational treatment of molecular collisions and energy exchange.

High-order finite element methods for a pressure Poisson equation reformulation of the Navier–Stokes equations with electric boundary conditions

Pressure Poisson equation (PPE) reformulations of the incompressible Navier–Stokes equations (NSE) replace the incompressibility constraint by a Poisson equation for the pressure and a suitable choice of boundary conditions. This yields a time-evolution equation for the velocity field only, with the pressure gradient acting as a nonlocal operator. Thus, numerical methods based on PPE reformulations are representatives of a class of methods that have no principal limitations in achieving high order. In this paper, it is studied to what extent high-order methods for the NSE can be obtained from a specific PPE reformulation with electric boundary conditions (EBC). To that end, implicit–explicit (IMEX) time-stepping is used to decouple the pressure solve from the velocity update, while avoiding a parabolic time-step restriction; and mixed finite elements are used in space, to capture the structure imposed by the EBC. Via numerical examples, it is demonstrated that the methodology can yield at least third order accuracy in space and time.

Wave function methods for canonical ensemble thermal averages in correlated many-fermion systems.

We present a wave function representation for the canonical ensemble thermal density matrix by projecting the thermofield double state against the desired number of particles. The resulting canonical thermal state obeys an imaginary-time evolution equation. Starting with the mean-field approximation, where the canonical thermal state becomes an antisymmetrized geminal power (AGP) wave function, we explore two different schemes to add correlation: by number-projecting a correlated grand-canonical thermal state and by adding correlation to the number-projected mean-field state. As benchmark examples, we use number-projected configuration interaction and an AGP-based perturbation theory to study the hydrogen molecule in a minimal basis and the six-site Hubbard model.

Dynamics of fast rotating neutron stars: An approach in the Hilbert gauge

We describe a set of time evolution equations and its numerical implementation for the investigation of non-axisymmetric oscillations of rapidly rotating compact objects in full General Relativity, taking into account the contribution of a dynamic spacetime. We derive the perturbation equations for the spacetime in the Hilbert gauge, while the hydrodynamical evolution is based on perturbations of the energy-momentum tensor. In our numerical implementation, we use Kreiss-Oliger dissipation in order to achieve a stable time evolution. Our code features high accuracy at comparably low computational expense and we are able to extract the frequencies of non-axisymmetric modes of compact objects with rotation rates up to the Kepler limit.

Grand canonical description of equilibrium and non-equilibrium systems using spin formalism

We consider an open system in contact with a reservoir, where particles as well as energies can be exchanged between them, and present a description of the dynamics in terms of mixed (pseudo)spin and state variables. Specifically, a master equation is constructed out of the exchange rates for particles and for energies, which allows us to probe the system in the grand canonical description. In particular, employing the state resummation analysis, we obtain coupled time evolution equations for the probability distributions of the system as well as the environment. This is exemplified by a standard growth model, where the steady-state density function exhibits power-law behavior with the exponent depending on the microscopic parameters of the rate equations.

Kuramoto model in the presence of additional interactions that break rotational symmetry.

The Kuramoto model serves as a paradigm to study the phenomenon of spontaneous collective synchronization. We study here a nontrivial generalization of the Kuramoto model by including an interaction that breaks explicitly the rotational symmetry of the model. In an inertial frame (e.g., the laboratory frame), the Kuramoto model does not allow for a stationary state, that is, a state with time-independent value of the so-called Kuramoto (complex) synchronization order parameter z≡re^{iψ}. Note that a time-independent z implies r and ψ are both time independent, with the latter fact corresponding to a state in which ψ rotates at zero frequency (no rotation). In this backdrop, we ask: Does the introduction of the symmetry-breaking term suffice to allow for the existence of a stationary state in the laboratory frame? Compared to the original model, we reveal a rather rich phase diagram of the resulting model, with the existence of both stationary and standing wave phases. While in the former the synchronization order parameter r has a long-time value that is time independent, one has in the latter an oscillatory behavior of the order parameter as a function of time that nevertheless yields a nonzero and time-independent time average. Our results are based on numerical integration of the dynamical equations as well as an exact analysis of the dynamics by invoking the so-called Ott-Antonsen ansatz that allows to derive a reduced set of time-evolution equations for the order parameter.

Connecting the time evolution of the turbulence interface to coherent structures

The surface area of turbulent/non-turbulent interfaces (TNTIs) is continuously produced and destroyed via stretching and curvature/propagation effects. Here, the mechanisms responsible for TNTI area growth and destruction are investigated in a turbulent flow with and without stable stratification through the time evolution equation of the TNTI area. We show that both terms have broad distributions and may locally contribute to either production or destruction. On average, however, the area growth is driven by stretching, which is approximately balanced by destruction by the curvature/propagation term. To investigate the contribution of different length scales to these processes, we apply spatial filtering to the data. In doing so, we find that the averages of the stretching and the curvature/propagation terms balance out across spatial scales of TNTI wrinkles and this scale-by-scale balance is consistent with an observed scale invariance of the nearby coherent vortices. Through a conditional analysis, we demonstrate that the TNTI area production (destruction) localizes at the front (lee) edge of the vortical structures in the interface proximity. Finally, we show that while basic mechanisms remain the same, increasing stratification reduces the rates at which TNTI surface area is produced as well as destroyed. We provide evidence that this reduction is largely connected to a change in the multiscale geometry of the interface, which tends to flatten in the wall-normal direction at all active length scales of the TNTI.

Integration of the Matrix Modified Korteweg-de Vries Equation with an Integral-Type Source

We derive time evolution equations for the scattering data for the matrix Zakharov-Shabat system with a potential that is the solution of the matrix modified Korteweg-de Vries equation with an integral-type source.

Fast convex optimization via a third-order in time evolution equation

In a Hilbert space , we develop fast convex optimization methods which are based on an evolution system of the third-order in time. The function to minimize is convex, continuously differentiable, with , and enters the dynamic via its gradient. On the basis of Lyapunov's analysis and temporal scaling techniques, we show a convergence rate of the values of the order , and obtain the convergence of the trajectories towards optimal solutions. When f is strongly convex, an exponential rate of convergence is obtained. We complete the study of the continuous dynamic by introducing a damping term induced by the Hessian of f. This allows the oscillations to be controlled and attenuated. Then, we analyse the convergence of the proximal-based algorithms obtained by temporal discretization of this system, and obtain similar convergence rates. The algorithmic results are valid for a general convex, lower semicontinuous and proper function .