Time Scale Set Research Articles

Charging and discharging a supercapacitor in molecular simulations.

As the world moves more toward unpredictable renewable energy sources, better energy storage devices are required. Supercapacitors are a promising technology to meet the demand for short-term, high-power energy storage. Clearly, understanding their charging and discharging behaviors is essential to improving the technology. Molecular Dynamics (MD) simulations provide microscopic insights into the complex interplay between the dynamics of the ions in the electrolyte and the evolution of the charge distributions on the electrodes. Traditional MD simulations of (dis)charging supercapacitors impose a pre-determined evolving voltage difference between the electrodes, using the Constant Potential Method (CPM). Here, we present an alternative method that explicitly simulates the charge flow to and from the electrodes. For a disconnected capacitor, i.e., an open circuit, the charges are allowed to redistribute within each electrode while the sum charges on both electrodes remain constant. We demonstrate, for a model capacitor containing an aqueous salt solution, that this method recovers the charge-potential curve of CPM simulations. The equilibrium voltage fluctuations are related to the differential capacitance. We next simulate a closed circuit by introducing equations of motion for the sum charges, by explicitly accounting for the external circuit element(s). Charging and discharging of the model supercapacitor via a resistance proceed by double exponential processes, supplementing the usual time scale set by the electrolyte dynamics with a novel time scale set by the external circuit. Finally, we propose a simple equivalent circuit that reproduces the main characteristics of this supercapacitor.

The degradation and detection of environmental signals in sediment transport systems.

Autogenic processes contribute noise to sediment transport systems that can degrade or mask externally derived environmental signals and hinder our ability to reconstruct past environmental signals from landscapes and strata. To explore this further, we measure efflux from a physical rice pile to ascertain the temporal structure of autogenic noise, and how this influences the degradation and detection of environmental signals. Our results reveal a tripartite temporal spectral structure segmented at two key autogenic time scales. The shorter autogenic time scale set limits on environmental signal degradation, while the longer autogenic time scale sets limits on environmental signal detection. This work establishes a framework that can be used to explore how autogenic processes interact with external environmental signals in field-scale systems to influence their detectability. We anticipate that the temporal structure and associated time scales identified will arise from autogenic processes in numerous sediment transport systems.

On the relation between oscillation of solutions of differential equations and corresponding equations on time scales

This paper studies oscillatory properties of solutions of a dynamic equation on the set of time scales $\mathbf{T}_\lambda$ provided that the graininess function $\mu_\lambda$ approaches zero as $\lambda\to 0$. We derived the conditions under which oscillation of solutions of differential equations implies that of solutions of the corresponding equations defined on time scales with the same initial data, and vice versa.

Local and global ordering dynamics in multistate voter models.

We investigate the time evolution of the density of active links and of the entropy of the distribution of agents among opinions in multistate voter models with all-to-all interaction and on uncorrelated networks. Individual realizations undergo a sequence of eliminations of opinions until consensus is reached. After each elimination the population remains in a metastable state. The density of active links and the entropy in these states varies from realization to realization. Making some simple assumptions we are able to analytically calculate the average density of active links and the average entropy in each of these states. We also show that, averaged over realizations, the density of active links decays exponentially, with a timescale set by the size and geometry of the graph, but independent of the initial number of opinion states. The decay of the average entropy is exponential only at long times when there are at most two opinions left in the population. Finally, we show how metastable states comprising only a subset of opinions can be artificially engineered by introducing precisely one zealot in each of the prevailing opinions.

Modeling age-specific incidence of colon cancer via niche competition.

Cancer development is a multistep process often starting with a single cell in which a number of epigenetic and genetic alterations have accumulated thus transforming it into a tumor cell. The progeny of such a single benign tumor cell expands in the tissue and can at some point progress to malignant tumor cells until a detectable tumor is formed. The dynamics from the early phase of a single cell to a detectable tumor with billions of tumor cells are complex and still not fully resolved, not even for the well-known prototype of multistage carcinogenesis, the adenoma-adenocarcinoma sequence of colorectal cancer. Mathematical models of such carcinogenesis are frequently tested and calibrated based on reported age-specific incidence rates of cancer, but they usually require calibration of four or more parameters due to the wide range of processes these models aim to reflect. We present a cell-based model, which focuses on the competition between wild-type and tumor cells in colonic crypts, with which we are able reproduce epidemiological incidence rates of colon cancer. Additionally, the fraction of cancerous tumors with precancerous lesions predicted by the model agree with clinical estimates. The correspondence between model and reported data suggests that the fate of tumor development is majorly determined by the early phase of tumor growth and progression long before a tumor becomes detectable. Due to the focus on the early phase of tumor development, the model has only a single fit parameter, the time scale set by an effective replacement rate of stem cells in the crypt. We find this effective rate to be considerable smaller than the actual replacement rate, which implies that the time scale is limited by the processes succeeding clonal conversion of crypts.

Pair-amplitude dynamics in strongly coupled superconductor–quantum dot hybrids

We consider a three-terminal system consisting of a quantum dot strongly coupled to two superconducting reservoirs in the infinite gap limit and weakly coupled to a normal metal. Using a real-time diagrammatic approach, we calculate the dynamics of the proximity-induced pair amplitude on the quantum dot. We find that after a quench the pair amplitude shows pronounced oscillations with a frequency determined by the coupling to the superconductors. In addition, it decays exponentially on a time scale set by the coupling to the normal metal. Strong oscillations of the pair amplitude occur also when the system is periodically driven both in the adiabatic and fast-driving limit. We relate the dynamics of the pair amplitude to the Josephson and Andreev current through the dot to demonstrate that it is an experimentally accessible quantity.

Biharmonic Attractors of Internal Gravity Waves

—The hydrodynamic system that admits the development of internal wave attractors under biharmonic forcing is investigated. It is shown that in the case of low amplitude of external forcing the wave pattern consists of two attractors that interact between themselves only slightly: the total energy of the system is equal to the sum of energies of the components with high accuracy. In the nonlinear case the attractors interact in the more complex way which leads to the development of a cascade of triad interactions generating a rich set of time scales. In the case of closely adjacent frequencies of the components of a biharmonic perturbation, the nonlinear “beating” regime develops, namely, the mean energy of the system of coupled attractors performs oscillations at a large time scale that corresponds to the beating period. It is found that the high-frequency energy fluctuations corresponding to the same mean energy can differ by an order of magnitude depending on whether the envelope of the mean value increases or decreases.

Pontryagin maximum principle for state constrained optimal sampled-data control problems on time scales

In this paper we consider optimal sampled-data control problems on time scales with inequality state constraints. A Pontryagin maximum principle is established, extending to the state constrained case existing results in the time scale literature. The proof is based on the Ekeland variational principle and on the concept of implicit spike variations adapted to the time scale setting. The main result is then applied to continuous-time min-max optimal sampled-data control problems, and a maximal velocity minimization problem for the harmonic oscillator with sampled-data control is numerically solved for illustration.

A DIFFERENCE METHOD FOR SOLVING THE NONLINEAR q-FRACTIONAL DIFFERENTIAL EQUATIONS ON TIME SCALES

The [Formula: see text]-fractional differential equation usually describes the physics process imposed on the time scale set [Formula: see text]. In this paper, we first propose a difference formula for discretizing the fractional [Formula: see text]-derivative [Formula: see text] on the time scale set [Formula: see text] with order [Formula: see text] and scale index [Formula: see text]. We establish a rigours truncation error boundness and prove that this difference formula is unconditionally stable. Then, we consider the difference method for solving the initial value problem of [Formula: see text]-fractional differential equation: [Formula: see text] on the time scale set. We prove the unique existence and stability of the difference solution and give the convergence analysis. Numerical experiments show the effectiveness and high accuracy of the proposed difference method.

Some new dynamic Hardy-type inequalities with kernels involving monotone functions

The main objective of the present paper is an extension of several classical integral Hardy-type inequalities with kernels to a time scales setting. The established inequalities refer to a class of monotone functions and they are characterized by appropriate relations for the accompanying weight functions. As an application, we obtain the corresponding discrete Hardy-type inequalities for monotone sequences, which are essentially new.

Time-resolved resonant inelastic x-ray scattering in a pumped Mott insulator

Collective excitations contain rich information about photoinduced transient states in correlated systems. In a Mott insulator, charge degrees of freedom are frozen, but can be activated by photodoping. The energy-momentum distribution of the charge excitation spectrum reflects the propagation of charge degrees of freedom, and provides information about the interplay among various intertwined instabilities on the time scale set by the pump. To reveal charge excitations out of equilibrium, we simulate time-resolved x-ray absorption and resonant inelastic x-ray scattering using a Hubbard model. After pumping, the former resolves photodoping, while the latter characterizes the formation, dispersion, weight, and nonlinear effects of collective excitations. Intermediate-state information from time-resolved resonant inelastic x-ray scattering (trRIXS) can be used to decipher the origin of these excitations, including bimagnons, Mott-gap excitations, doublon and single-electron in-gap states, and anti-Stokes relaxation during an ultrafast pump. This paper provides a theoretical foundation for existing and future trRIXS experiments.

Periodic solutions of linear, Riccati, and Abel dynamic equations

We study the number of periodic solutions of linear, Riccati and Abel dynamic equations in the time scales setting. In this way, we recover known results for corresponding differential equations and obtain new results for associated difference equations. In particular, we prove that there is no upper bound for the number of isolated periodic solutions of Abel difference equations. One of the main tools introduced to get our results is a suitable Melnikov function. This is the first time that Melnikov functions are used for dynamic equations on time scales.

Volatile flame visualization of single pulverized fuel particles

Experimental observation of solid particles and their volatile flames was performed to present the characteristic combustion behavior of solid fuels used in energy-production industries, i.e. coal, biomass, and petro-chemical polymers. In a hot gas stream at ~1240 K and a rapid heating rate of ~100 K/ms, time-resolved visualization of a sub-millimeter fuel particle at high magnification showed patterns of flame development of the particle, demonstrating the sub-processes of particle heat-up, devolatilization, and char combustion. The shadow images of moving particle and its surrounding volatile flame could be visualized at the same time. Repeatable experiments were able to present volatile flame patterns, which were unique in accordance with the fuel type in the corresponding combustion environment. Among the different formation patterns, a concentric and spherical volatile flame was chosen as a reference. The parameters, particle size (75–200 μm) and O2 concentration (21.1–40.2 vol%), which affected the patterns were considered for understanding influence on them. Visible appearance was quantified by using a length scale that measured the apparent flame diameter and a set of newly-defined time scales that described its chronological variation. Using quantitative identifiers and feature descriptions, the observed flame behaviors were discussed as unique signatures for characterizing the combustion process of burning fuel particle.

Revisiting Cu63 NMR evidence for charge order in superconducting La1.885Sr0.115CuO4

The presence of charge and spin stripe order in the La2CuO4-based family of superconductors continues to lead to new insight on the unusual ground state properties of high Tc cuprates. Soon after the discovery of charge stripe order at T(charge)=65K in Nd3+ co-doped LSCO ($T_{c}\simeq6$~K) [Tranquada et al., Nature {\bf 375} (1995) 561], Hunt et al. demonstrated that La$_{1.48}$Nd$_{0.4}$Sr$_{0.12}$CuO$_4$ and superconducting LSCO with x~1/8 (Tc ~ 30K) share nearly identical NMR anomalies near $T_{charge}$ of the former [Phys. Rev. Lett. {\bf 82} (1999) 4300]. Their inevitable conclusion that LSCO also undergoes charge order at a comparable temperature became controversial, because diffraction measurements at the time were unable to detect Bragg peaks associated with charge order. Recent advances in x-ray diffraction techniques finally led to definitive confirmations of the charge order Bragg peaks in LSCO with an onset at as high as T(charge)=80K. Meanwhile, improved instrumental technology has enabled routine NMR measurements that were not feasible two decades ago. Motivated by these new developments, we revisit the charge order transition of a LSCO single crystal based on 63Cu NMR techniques. We demonstrate that 63Cu NMR properties of the nuclear spin $I_{z}$ = -1/2 to +1/2 central transition below T(charge) exhibit unprecedentedly strong dependence on the measurement time scale set by the NMR pulse separation time $\tau$; a new kind of anomalous, very broad wing-like 63Cu NMR signals gradually emerge below T(charge) only for extremely short $\tau \lesssim 4~\mu$s, while the spectral weight of the normal NMR signals is progressively wiped out. The NMR linewidth and relaxation rates depend strongly on $\tau$ below T(charge), and their enhancement in the charge ordered state indicates that charge order turns on strong but inhomogeneous growth of Cu spin-spin correlations.

Coherent Many-Body Spin Dynamics in a Long-Range Interacting Ising Chain

Coherent many-body quantum dynamics lies at the heart of quantum simulation and quantum computation. Both require coherent evolution in the exponentially large Hilbert space of an interacting many-body system. To date, trapped ions have defined the state of the art in terms of achievable coherence times in interacting spin chains. Here, we establish an alternative platform by reporting on the observation of coherent, fully interaction-driven quantum revivals of the magnetization in Rydberg-dressed Ising spin chains of atoms trapped in an optical lattice. We identify partial many-body revivals at up to about ten times the characteristic time scale set by the interactions. At the same time, single-site-resolved correlation measurements link the magnetization dynamics with inter-spin correlations appearing at different distances during the evolution. These results mark an enabling step towards the implementation of Rydberg atom based quantum annealers, quantum simulations of higher dimensional complex magnetic Hamiltonians, and itinerant long-range interacting quantum matter.

53-attosecond X-ray pulses reach the carbon K-edge

The motion of electrons in the microcosm occurs on a time scale set by the atomic unit of time—24 attoseconds. Attosecond pulses at photon energies corresponding to the fundamental absorption edges of matter, which lie in the soft X-ray regime above 200 eV, permit the probing of electronic excitation, chemical state, and atomic structure. Here we demonstrate a soft X-ray pulse duration of 53 as and single pulse streaking reaching the carbon K-absorption edge (284 eV) by utilizing intense two-cycle driving pulses near 1.8-μm center wavelength. Such pulses permit studies of electron dynamics in live biological samples and next-generation electronic materials such as diamond.

Optimizing Variational Quantum Algorithms Using Pontryagin’s Minimum Principle

We use Pontryagin's minimum principle to optimize variational quantum algorithms. We show that for a fixed computation time, the optimal evolution has a bang-bang (square pulse) form, both for closed and open quantum systems with Markovian decoherence. Our findings support the choice of evolution ansatz in the recently proposed Quantum Approximate Optimization Algorithm. Focusing on the Sherrington-Kirkpatrick spin-glass as an example, we find a system-size independent distribution of the duration of pulses, with characteristic time scale set by the inverse of the coupling constants in the Hamiltonian. The optimality of the bang-bang protocols and the characteristic time scale of the pulses provide an efficient parameterization of the protocol and inform the search for effective hybrid (classical and quantum) schemes for tackling combinatorial optimization problems. For the particular systems we study, we find numerically that the optimal nonadiabatic bang-bang protocols outperform conventional quantum annealing in the presence of weak white additive external noise and weak coupling to a thermal bath modeled with the Redfield master equation.

Porosity Governs Normal Stresses in Polymer Gels.

When sheared, most elastic solids including metals, rubbers, and polymer gels dilate perpendicularly to the shear plane. This behavior, known as the Poynting effect, is characterized by a positive normal stress. Surprisingly, fibrous biopolymer gels exhibit a negative normal stress under shear. Here we show that this anomalous behavior originates from the open-network structure of biopolymer gels. Using fibrin networks with a controllable pore size as a model system, we show that the normal-stress response to an applied shear is positive at short times, but decreases to negative values with a characteristic time scale set by pore size. Using a two-fluid model, we develop a quantitative theory that unifies the opposite behaviors encountered in synthetic and biopolymer gels.

Phase-Field-Crystal Model for Electromigration in Metal Interconnects.

We propose an atomistic model of electromigration (EM) in metals based on a recently developed phase-field-crystal (PFC) technique. By coupling the PFC model's atomic density field with an applied electric field through the EM effective charge parameter, EM is successfully captured on diffusive time scales. Our framework reproduces the well-established EM phenomena known as Black's equation and the Blech effect, and also naturally captures commonly observed phenomena such as void nucleation and migration in bulk crystals. A resistivity dipole field arising from electron scattering on void surfaces is shown to contribute significantly to void migration velocity. With an intrinsic time scale set by atomic diffusion rather than atomic oscillations or hopping events, as in conventional atomistic methods, our theoretical approach makes it possible to investigate EM-induced circuit failure at atomic spatial resolution and experimentally relevant time scales.

Discriminating the Mobile Ions from the Immobile Ones in Li4+xTi5O12: 6Li NMR Reveals the Main Li+ Diffusion Pathway and Proposes a Refined Lithiation Mechanism

One of the most widely known anode materials with excellent cycling performance in lithium-ion batteries is zero-strain lithium titanate Li4Ti5O12 (LTO). This is based on the highly reversible insertion and deinsertion of Li ions varying the composition of Li4+xTi5O12 from x = 0 to x = 3. The facile incorporation of Li is tightly connected with bulk Li ion dynamics. Although macroscopic electrochemical properties have been studied in great detail, bulk Li ion diffusion pathways have rarely been probed experimentally from an atomic scale point of view. Here, we evaluated 1D and 2D 6Li magic angle spinning (MAS) NMR spectra recorded as a function of x to make the local magnetic changes during Li insertion visible. This enabled us to directly show that rapid Li exchange involves the 8a and 16c sites, forming a 3D network throughout the LTO spinel structure. In contrast, considering the time scale set by our NMR experiments, the Li ions residing on the mixed occupied octahedral positions 16d are quite immobil...