A generalized lattice-gas model that takes into account the directional character of pair interactions between the lattice sites is proposed. It is demonstrated that the proposed model can be successfully used to deeply understand the self-assembly process in adsorption monolayers of functional organic molecules driven by specified directional interactions between such molecules (e.g., hydrogen bonding). To illustrate the idea, representative cases of the general model with different numbers of identical functional groups in the chemical structure of the adsorbed molecule are investigated with Monte Carlo and the transfer-matrix methods. The model reveals that the phase behavior of the adsorption systems considered can be characterized as a hierarchical self-assembly process. It is predicted that in real adsorption systems of this type, the energy of hydrogen bonding sufficiently depends on the mutual orientation of the adsorbed molecules.

While at small collision velocities collisions of nanoparticles (NPs) are elastic, they become plastic at higher velocities. We study the elastic-plastic threshold and the onset of plasticity using molecular dynamics simulation for a Lennard-Jones material. The reasons behind the $R^{-2/3}$ increase of the threshold velocity for small NP radii $R$ found recently are discussed. At the threshold, NP orientation strongly influences the generation of plasticity, and averaging over many orientations is required to predict the critical velocity for dislocation generation. The onset of plasticity is governed by the generation of isolated stacking faults and nanotwins spanning the entire NP. At higher velocities, the fraction of defects becomes proportional to the total number of atoms in the NP.

We examine the stability of a vertical liquid bridge between two vertically vibrating, coaxial disks. Assuming that the vibration amplitude and period are much smaller than the mean distance between the disks and the global timescale, respectively, we employ the method of multiple scales to derive a set of asymptotic equations. The set is then used to examine the stability of a bridge of an almost cylindrical shape. It is shown that, if acting alone, gravity is a destabilizing influence, whereas vibration can weaken it or even eliminate altogether. Thus, counter-intuitively, vibration can stabilize an otherwise unstable capillary structure.

The influence of an external homogeneous magnetic field on the quasilocalization of the particles—characterized quantitatively by cage correlation functions—in strongly coupled three-dimensional Yukawa systems is investigated via molecular dynamics computer simulations over a wide domain of the system parameters (coupling and screening strengths, and magnetic field). The caging time is found to be enhanced by the magnetic field $\mathbf{B}$. The anisotropic migration of the particles in the presence of magnetic field is quantified via computing directional correlation functions, which indicate a more significant increase of localization in the direction perpendicular to $\mathbf{B}$, while a moderate increase is also found along the $\mathbf{B}$ field lines. Associating the particles' escapes from the cages with jumps of a characteristic length, a connection is found with the diffusion process: the diffusion coefficients derived from the decay time of the directional correlation functions in both the directions perpendicular to and parallel with $\mathbf{B}$ are in very good agreement with respective diffusion coefficients values obtained from their usual computation based on the mean-squared displacement of the particles.

Backward Raman amplification is limited by relativistic nonlinear dephasing resulting in saturation of the leading spike of the amplified pulse. Pump detuning is employed to mitigate the relativistic phase mismatch and to overcome the associated saturation. The amplified pulse can then be reshaped into a monospike pulse with little precursory power ahead of it, with the maximum intensity increasing by a factor of two. This detuning can be employed advantageously both in regimes where the group velocity dispersion is unimportant and where the dispersion is important but small.

We investigate energy transfer across scales in three-dimensional compressible magnetohydrodynamic (MHD) turbulence, a model often used to study space and astrophysical plasmas. Analysis shows that kinetic and magnetic energies cascade conservatively from large to small scales in cases with varying degrees of compression. With more compression, energy fluxes due to pressure dilation and subscale mass flux are greater, but conversion between kinetic and magnetic energy by magnetic line stretching is less efficient. Energy transfer between the same fields is dominated by local contributions regardless of compressive effects. In contrast, the conversion between kinetic and internal energy by pressure dilation is dominated by the largest scale contributions. Energy conversion between the velocity and magnetic fields is weakly local.

We have used multiframe picosecond optical interferometry to make direct measurements of the hole boring velocity, $v_{\mathrm{HB}}$, of the density cavity pushed forward by a train of $\mathrm{C}{\mathrm{O}}_2$ laser pulses in a near critical density helium plasma. As the pulse train intensity rises, the increasing radiation pressure of each pulse pushes the density cavity forward and the plasma electrons are strongly heated. After the peak laser intensity, the plasma pressure exerted by the heated electrons strongly impedes the hole boring process and the $v_{\mathrm{HB}}$ falls rapidly as the laser pulse intensity falls at the back of the laser pulse train. A heuristic theory is presented that allows the estimation of the plasma electron temperature from the measurements of the hole boring velocity. The measured values of $v_{\mathrm{HB}}$, and the estimated values of the heated electron temperature as a function of laser intensity are in reasonable agreement with those obtained from two-dimensional numerical simulations.

Liquid water is not only of obvious importance but also extremely intriguing, displaying many anomalies that still challenge our understanding of such an a priori simple system. The same is true when looking at nanoconfined water: The liquid between constituents in a cell is confined to such dimensions, and there is already evidence that such water can behave very differently from its bulk counterpart. A striking finding has been reported from computer simulations for two-dimensionally confined water: The liquid displays continuous or discontinuous melting depending on its density. In order to understand this behavior, we have analyzed the melting exhibited by a bilayer of nanoconfined water by means of molecular dynamics simulations. At high density we observe the continuous melting to be related to the phase change of the oxygens only, with the hydrogens remaining liquidlike throughout. Moreover, we find an intermediate hexatic phase for the oxygens between the liquid and a triangular solid ice phase, following the Kosterlitz-Thouless-Halperin-Nelson-Young theory for two-dimensional melting. The liquid itself tends to maintain the local structure of the triangular ice, with its two layers being strongly correlated yet with very slow exchange of matter. The decoupling in the behavior of the oxygens and hydrogens gives rise to a regime in which the complexity of water seems to disappear, resulting in what resembles a simple monoatomic liquid. This intrinsic tendency of our simulated water may be useful for understanding novel behaviors in other confined and interfacial water systems.

An integrable model possessing inhomogeneous ground states is proposed as an effective model of nonuniform quantum condensates such as supersolids and Fulde-Ferrell-Larkin-Ovchinnikov superfluids. The model is a higher-order analog of the nonlinear Schrödinger equation. We derive an $n$-soliton solution via the inverse scattering theory with elliptic-functional background and reveal various kinds of soliton dynamics such as dark soliton billiards, dislocations, gray solitons, and envelope solitons. We also provide the exact bosonic and fermionic quasiparticle eigenstates and show their tunneling phenomena. The solutions are expressed by a determinant of theta functions.

Capillary forces have been measured by atomic force microscopy in the sphere-plate geometry, in a controlled humidity environment, between smooth silicon carbide and borosilicate glass spheres. The force measurements were performed as a function of the rms surface roughness ∼4–14 nm mainly due to sphere morphology, the relative humidity (RH) ∼0%–40%, the applied load on the cantilever, and the contact time. The pull-off force was found to decrease by nearly two orders of magnitude with increasing rms roughness from 8 to 14 nm due to formation of a few capillary menisci for the roughest surfaces, while it remained unchanged for rms roughness <8 nm implying fully wetted surface features leading to a single meniscus. The latter reached a steady state in less than 5 s for the smoothest surfaces, as force measurements versus contact time indicated for increased RH∼40%. Finally, the pull-off force increases and reaches a maximum with applied load, which is associated with plastic deformation of surface asperities, and decreases at higher loads.

We report on the numerical and theoretical study of the subcritical bifurcation of parametrically amplified waves appearing at the interface between two immiscible incompressible fluids when the layer of the lower fluid is very shallow. As a critical control parameter is surpassed, small amplitude surface waves bifurcate subcritically toward highly nonlinear ones with twice their amplitude. We relate this hysteresis with the change of shear stress using a simple stress balance, in agreement with numerical results.

We study the challenging problem of the advection of an active, deformable, finite-size droplet by a turbulent flow via a simulation of the coupled Cahn-Hilliard-Navier-Stokes (CHNS) equations. In these equations, the droplet has a natural two-way coupling to the background fluid. We show that the probability distribution function of the droplet center of mass acceleration components exhibit wide, non-Gaussian tails, which are consistent with the predictions based on pressure spectra. We also show that the droplet deformation displays multifractal dynamics. Our study reveals that the presence of the droplet enhances the energy spectrum $E\left(k\right)$, when the wave number $k$ is large; this enhancement leads to dissipation reduction.

We report measurements of the modification of turbulence far from any walls by small concentrations of long-chain polymers. We consider a range of statistical properties of the flow, including Eulerian and Lagrangian velocity structure functions, Eulerian acceleration correlation functions, and the relative dispersion of particle pairs. In all cases, we find that the polymer concentration has a strong effect on the extent to which the statistical properties are changed compared to their values in pure water. These effects can be captured by the recently proposed energy flux-balance model (when suitably extended into the time domain for Lagrangian statistics). However, unlike previous measurements, which found that the concentration effect could be completely scaled out, we consistently find that our data collapse onto two different master curves, one for small concentration and one for larger concentration. We suggest that the difference between the two may be related to the onset of interactions among polymer chains, which is likely to be more easily observed at the small Weissenberg numbers we consider here.

The frequency-dependent magnetic susceptibility of a ferrofluid is calculated under the assumption that the constituent particles undergo Brownian relaxation only. Brownian-dynamics simulations are carried out in order to test the predictions of a recent theory [A. O. Ivanov, V. S. Zverev, and S. S. Kantorovich, Soft Matter 12, 3507 (2016)] that includes the effects of interparticle dipole-dipole interactions. The theory is based on the so-called modified mean-field approach and possesses the following important characteristics: in the low-concentration, noninteracting regime, it gives the correct single-particle Debye-theory results; it yields the exact leading-order results in the zero-frequency limit; it includes particle polydispersity correctly from the outset; and it is based on firm theoretical foundations allowing, in principle, systematic extensions to treat stronger interactions and/or higher concentrations. The theory and simulations are compared in the case of a model monodisperse ferrofluid, where the effects of interactions are predicted to be more pronounced than in a polydisperse ferrofluid. The susceptibility spectra are analyzed in detail in terms of the low-frequency behavior, the position of the peak in the imaginary (out-of-phase) part, and the characteristic decay time of the magnetization autocorrelation function. It is demonstrated that the theory correctly predicts the trends in all of these properties with increasing concentration and dipolar coupling constant, the product of which is proportional to the Langevin susceptibility ${\chi }_{\mathrm{L}}$. The theory is in quantitative agreement with the simulation results as long as ${\chi }_{\mathrm{L}}\lesssim 1$.

A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this publication we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. We also study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. We conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

Phase coexistence properties as well as other thermodynamic features of fluids can be effectively determined from the grand canonical density of states (DOS). We present an extension of the $\mathrm{par}Q$ transition matrix method in combination with the efasTM method as a very fast approach for determining the grand canonical DOS from the transition matrix. The efasTM method minimizes the deviation from detailed balance in the transition matrix using a fast Krylov-based equation solver. The method allows a very effective use of state space transition data obtained by different exploration schemes. An application to a Lennard-Jones system produces phase coexistence properties of the same quality as reference data.

We present an analysis of conditions under which the dynamics of a frustrated Kuramoto—or Kuramoto-Sakaguchi—model on sparse networks can be tuned to enhance synchronization. Using numerical optimization techniques, linear stability, and dimensional reduction analysis, a simple tuning scheme for setting node-specific frustration parameters as functions of native frequencies and degrees is developed. Finite-size scaling analysis reveals that even partial application of the tuning rule can significantly reduce the critical coupling for the onset of synchronization. In the second part of the paper, a codynamics is proposed, which allows a dynamic tuning of frustration parameters simultaneously with the ordinary Kuramoto dynamics. We find that such codynamics enhance synchronization when operating on slow time scales, and impede synchronization when operating on fast time scales relative to the Kuramoto dynamics.

In this paper we study the dynamics of epidemic processes taking place in adaptive networks of arbitrary topology. We focus our study on the adaptive susceptible-infected-susceptible (ASIS) model, where healthy individuals are allowed to temporarily cut edges connecting them to infected nodes in order to prevent the spread of the infection. In this paper we derive a closed-form expression for a lower bound on the epidemic threshold of the ASIS model in arbitrary networks with heterogeneous node and edge dynamics. For networks with homogeneous node and edge dynamics, we show that the resulting lower bound is proportional to the epidemic threshold of the standard SIS model over static networks, with a proportionality constant that depends on the adaptation rates. Furthermore, based on our results, we propose an efficient algorithm to optimally tune the adaptation rates in order to eradicate epidemic outbreaks in arbitrary networks. We confirm the tightness of the proposed lower bounds with several numerical simulations and compare our optimal adaptation rates with popular centrality measures.

We study force generation by a set of parallel actin filaments growing against a nonrigid obstacle, in the presence of an external load. The filaments polymerize by either moving the whole obstacle, with a large energy cost, or by causing local distortion in its shape which costs much less energy. The nonrigid obstacle also has local thermal fluctuations due to which its shape can change with time and we describe this using fluctuations in the height profile of a one-dimensional interface with Kardar-Parisi-Zhang dynamics. We find the shape fluctuations of the barrier strongly affect the force generation mechanism. The qualitative nature of the force-velocity curve is crucially determined by the relative time scale of filament and barrier dynamics. The height profile of the barrier also shows interesting variation with the external load. Our analytical calculations within mean-field theory show reasonable agreement with our simulation results.