Single flexible and semiflexible polymers at high shear: Non-monotonic and non-universal stretching response

Using Brownian hydrodynamic simulation techniques, we study single polymers in shear. We investigate the effects of hydrodynamic interactions, excluded volume, chain extensibility, chain length and semiflexibility. The well-known stretching behavior with increasing shear rate [(g)\dot] \dot{{\gamma}} is only observed for low shear [(g)\dot] \dot{{\gamma}} < [(g)\dot]^max \dot{{\gamma}}^{{\max}}_{} , where [(g)\dot]^max \dot{{\gamma}}^{{\max}}_{} is the shear rate at maximum polymer extension. For intermediate shear rates [(g)\dot]^max \dot{{\gamma}}^{{\max}}_{} < [(g)\dot] \dot{{\gamma}} < [(g)\dot]^min \dot{{\gamma}}^{{\min}}_{} the radius of gyration decreases with increasing shear with minimum chain extension at [(g)\dot]^min \dot{{\gamma}}^{{\min}}_{} . For even higher shear [(g)\dot]^min \dot{{\gamma}}^{{\min}}_{} < [(g)\dot] \dot{{\gamma}} the chain exhibits again shear stretching. This non-monotonic stretching behavior is obtained in the presence of excluded-volume and hydrodynamic interactions for sufficiently long and inextensible flexible polymers, while it is completely absent for Gaussian extensible chains. We establish the heuristic scaling laws [(g)\dot]^max \dot{{\gamma}}^{{\max}}_{} ∼ N ^-1.4 and [(g)\dot]^min \dot{{\gamma}}^{{\min}}_{} ∼ N ^0.7 as a function of chain length N , which implies that the regime of shear-induced chain compression widens with increasing chain length. These scaling laws also imply that the chain response at high shear rates is not a universal function of the Weissenberg number Wi = [(g)\dot] \dot{{\gamma}} t \tau anymore, where t \tau is the equilibrium relaxation time. For semiflexible polymers a similar non-monotonic stretching response is obtained. By extrapolating the simulation results to lengths corresponding to experimentally studied DNA molecules, we find that the shear rate [(g)\dot]^max \dot{{\gamma}}^{{\max}}_{} to reach the compression regime is experimentally realizable.     

Defect structures in nematic liquid crystals around charged particles

We numerically study the orientation deformations in nematic liquid crystals around charged particles. We set up a Ginzburg-Landau theory with inhomogeneous electric field. If the dielectric anisotropy e₁ \varepsilon_{1}^{} is positive, Saturn-ring defects are formed around the particles. For e₁ \varepsilon_{1}^{} < 0 , novel “ansa” defects appear, which are disclination lines with their ends on the particle surface. We find unique defect structures around two charged particles. To lower the free energy, oppositely charged particle pairs tend to be aligned in the parallel direction for e₁ \varepsilon_{1}^{} > 0 and in the perpendicular plane for e₁ \varepsilon_{1}^{} < 0 with respect to the background director. For identically charged pairs the preferred directions for e₁ \varepsilon_{1}^{} > 0 and e₁ \varepsilon_{1}^{} < 0 are exchanged. We also examine competition between the charge-induced anchoring and the short-range anchoring. If the short-range anchoring is sufficiently strong, it can be effective in the vicinity of the surface, while the director orientation is governed by the long-range electrostatic interaction far from the surface.     

Plasticity and dynamical heterogeneity in driven glassy materials

Many amorphous glassy materials exhibit complex spatio-temporal mechanical response and rheology, characterized by an intermittent stress strain response and a fluctuating velocity profile. Under quasistatic and athermal deformation protocols this heterogeneous plastic flow was shown to be composed of plastic events of various sizes, ranging from local quadrupolar plastic rearrangements to system spanning shear bands. In this paper, through numerical study of a 2D Lennard-Jones amorphous solid, we generalize the study of the heterogeneous dynamics of glassy materials to the finite shear rate ( [(g)\dot] \dot{{\gamma}} 1 \neq 0 and temperature case (T 1 \neq 0 . In practice, we choose an effectively athermal limit (T ∼ 0 and focus on the influence of shear rate on the rheology of the glass. In line with previous works we find that the model Lennard-Jones glass follows the rheological behavior of a yield stress fluid with a Herschel-Bulkley response of the form, s \sigma = s_Y \sigma_{{Y}}^{} + c ₁ [(g)\dot]^b \dot{{\gamma}}^{{\beta}}_{} . The global mechanical response obtained through the use of Molecular Dynamics is shown to converge in the limit [(g)\dot] \dot{{\gamma}} ? \rightarrow 0 to the quasistatic limit obtained with an energy minimization protocol. The detailed analysis of the plastic deformation at different shear rates shows that the glass follows different flow regimes. At sufficiently low shear rates the mechanical response reaches a shear-rate-independent regime that exhibits all the characteristics of the quasistatic response (finite-size effects, cascades of plastic rearrangements, yield stress, ...). At intermediate shear rates the rheological properties are determined by the externally applied shear rate and the response deviates from the quasistatic limit. Finally at higher shear the system reaches a shear-rate-independent homogeneous regime. The existence of these three regimes is also confirmed by the detailed analysis of the atomic motion. The computation of the four-point correlation function shows that the transition from the shear-rate-dominated to the quasistatic regime is accompanied by the growth of a dynamical cooperativity length scale x \xi that is shown to diverge with shear rate as x \xi μ \propto [(g)\dot]^-n \dot{{\gamma}}^{{-\nu}}_{} , with n \nu ∼ 0.2 -0.3. This scaling is compared with the prediction of a simple model that assumes the diffusive propagation of plastic events.     

The mixing of scalar mesons and the baryon-baryon interaction

By introducing the mixing of scalar mesons in the chiral SU(3) quark model, we dynamically investigate the baryon-baryon interaction. The hyperon-nucleon and nucleon-nucleon interactions are studied by solving the resonating group method (RGM) equation in a coupled-channel calculation. In our present work, the experimental lightest pseudoscalar p \pi, K,h \eta,h^￠ \eta^{{\prime}}_{} mesons correspond exactly to the chiral nonet pseudoscalar fields p \pi, K,h \eta,h^￠ \eta^{{\prime}}_{} in the chiral SU(3) quark model. The h \eta,h^￠ \eta^{{\prime}}_{} mesons are considered as the mixing of singlet and octet mesons, and the mixing angle q_ps \theta_{{ps}}^{} is taken to be -23^° . For scalar nonet mesons, we suppose that there exists a correspondence between the experimental lightest scalar f ₀(600) , k \kappa , a ₀(980) , f ₀(980) mesons and the theoretical scalar nonet s \sigma , k \kappa , s^￠ \sigma^{{\prime}}_{} , e \epsilon fields in the chiral SU(3) quark model. For scalar mesons, we consider two different mixing cases: one is the ideal mixing and another is the q_s \theta_{s}^{} = 19^° mixing. The masses of the s^￠ \sigma^{{\prime}}_{} and e \epsilon mesons are taken to be 980MeV, which are just the masses of the experimental a ₀(980) , f ₀(980) mesons. The mass of the s \sigma meson is an adjustable parameter and is decided by fitting the binding energy of the deuteron, the masses of 560MeV and 644MeV are obtained for the ideal mixing and the q_s \theta_{s}^{} = 19^° mixing, respectively. We find that, in order to reasonably describe the YN interactions, the mass of the k \kappa meson is near 780MeV for the ideal mixing. However, we must enhance the mass of the k \kappa meson for the q_s \theta_{s}^{} = 19^° mixing, the 1050MeV is favorably used in the present work. The experimental s \sigma and k \kappa scalar mesons are very strange, both have larger widths. Hence, no matter what kind of mixing is considered, all the masses of scalar mesons we used in the present work seem to be consistent with the present PDG information.     

Continuum theory of lipid bilayer electrostatics

In order to address the concerns about the applicability of the continuum theory of lipid bilayers, we generalize it by including a film with uniaxial dielectric properties representing the polar head groups of the lipid molecules. As a function of the in-plane dielectric constant k_|| \kappa_{{\Vert}}^{} of this film, we encounter a sequence of different phases. For low values of k_|| \kappa_{{\Vert}}^{} , transmembrane pores have aqueous cores, ions are repelled by the bilayer, and the ion permeability of the bilayer is independent of the ion radius as in the existing theory. For increasing k_|| \kappa_{{\Vert}}^{} , a threshold is reached --of the order of the dielectric constant of water-- beyond which ions are attracted to the lipid bilayer by generic polarization attraction, transmembrane pores collapse, and the ion permeability becomes sensitively dependent on the ion radius, results that are more consistent with experimental and numerical studies of the interaction of ions with neutral lipid bilayers. At even higher values of k_|| \kappa_{{\Vert}}^{} , the ion/pore complexes are predicted to condense in the form of extended arrays. The generalized continuum theory can be tested quantitatively by studies of the ion permeability as a function of salt concentration and co-surfactant concentration.     

Analysis of the X(1835) and related baryonium states with Bethe-Salpeter equation

In this article, we study the mass spectrum of the baryon-antibaryon bound states p [`(p)] \bar{{p}} , S \Sigma [`(S)] \bar{{\Sigma}} , X \Xi [`(X)] \bar{{\Xi}} , L \Lambda [`(L)] \bar{{\Lambda}} , p [`(N)] \bar{{N}}(1440) , S \Sigma [`(S)] \bar{{\Sigma}}(1660) , X \Xi [`(X)]<sup>￠</sup> \bar{{\Xi}}^{{\prime}}_{} and L \Lambda [`(L)] \bar{{\Lambda}}(1600) with the Bethe-Salpeter equation. The numerical results indicate that the p [`(p)] \bar{{p}} , S \Sigma [`(S)] \bar{{\Sigma}} , X \Xi [`(X)] \bar{{\Xi}} , p [`(N)] \bar{{N}}(1440) , S \Sigma [`(S)] \bar{{\Sigma}}(1660) , X \Xi [`(X)]^￠ \bar{{\Xi}}^{{\prime}}_{} bound states maybe exist, and the new resonances X(1835) and X(2370) can be tentatively identified as the p [`(p)] \bar{{p}} and p [`(N)] \bar{{N}}(1440) (or N(1400)[`(p)] \bar{{p}} bound states, respectively, with some gluon constituents, and the new resonance X(2120) may be a pseudoscalar glueball. On the other hand, the Regge trajectory favors identifying the X(1835) , X(2120) and X(2370) as the excited h^￠ \eta^{{\prime}}_{}(958) mesons with the radial quantum numbers n = 3 , 4 and 5, respectively.     

Parametric study of horizontally vibrated grain packings Comparison between Discrete Element Method and experimental results

Numerical and experimental studies have been undertaken to analyze three parameters controlling the compaction of granular media submitted to sinusoidal horizontal vibrations. We have characterized the influence of the dimensionless acceleration G \Gamma , the geometry of the container and the friction coefficients on the grain velocities and on the packing densities. Above a critical acceleration G_crit \Gamma_{{\rm crit}}^{} , the velocities increases with G \Gamma . For low values of G \Gamma , the surface layers are compacted, whereas the bottom layers remain at their initial density. For high values of G \Gamma , the bottom layers get compacted, the surface layers are fluidized so that the bulk dynamic and relaxed densities decreased. In the same way, the effect of the dimensions of the container and of the friction coefficients on the packing properties has been studied for given heights of sand, acceleration and frequency. It has been shown that the influence of the two last parameters is similar to that of acceleration. The numerical results given by the Discrete Element Method appear to be in good agreement with experimental results.     

Alternating current electrical conductivity of high-density polyethylene-carbon nanofiber composites

High-density polyethylene (HDPE)-carbon nanofiber (CNF) composites with good dispersion of fillers in the polymer matrix were melt-compounded in a Haake mixer. The dependences of the alternating current conductivity of such nanocomposites on the filler content, temperature, and DC bias were investigated. The results showed that the electrical conducting behavior of HDPE-CNF nanocomposites can be well characterized by the direct current conductivity ( s_DC \sigma_{{{\rm DC}}}^{} , characteristic frequency (f_c) and critical exponent (s . It was found that s_DC \sigma_{{{\rm DC}}}^{} of percolating HDPE-CNF nanocomposites increases with increasing filler concentration and follows the scaling law of percolation theory. Increasing temperature caused a reduction of s_DC \sigma_{{{\rm DC}}}^{} , leading to the occurrence of positive-temperature-coefficient effect near the melting temperature of HDPE matrix. Application of DC bias led to an increase of s_DC \sigma_{{{\rm DC}}}^{} due to the creation of additional conducting paths within the polymer composites. The characteristic frequency generally followed the same tendency as s_DC \sigma_{{{\rm DC}}}^{} . The s values of percolating composites were slightly higher than those predicted by the percolation theory, indicating the presence of tunneling or hopping conduction in these composites.     

Phase diagram for the Grover algorithm with static imperfections

We study effects of static inter-qubit interactions on the stability of the Grover quantum search algorithm. Our numerical and analytical results show existence of regular and chaotic phases depending on the imperfection strength e\varepsilon . The critical border e_c\varepsilon_c between two phases drops polynomially with the number of qubits n _q as e_c ~ n_q^-3/2\varepsilon_c \sim n_q^{-3/2} . In the regular phase (e < e_c)(\varepsilon < \varepsilon_c) the algorithm remains robust against imperfections showing the efficiency gain e_c / e\varepsilon_c / \varepsilon for e >~2^-n_q/2\varepsilon \gtrsim 2^{-n_q/2} . In the chaotic phase $(\varepsilon > \varepsilon_c)$(\varepsilon > \varepsilon_c) the algorithm is completely destroyed.     

Analysis of the $ {\frac{{1}}{{2}}}$+ doubly heavy baryon states with QCD sum rules

In this paper, we study the \frac12 {\frac{{1}}{{2}}} ⁺ doubly heavy baryon states W_QQ \Omega_{{QQ}}^{} and X_QQ \Xi_{{QQ}}^{} by subtracting the contributions from the corresponding \frac12 {\frac{{1}}{{2}}} ^- doubly heavy baryon states with QCD sum rules, and make reasonable predictions for their masses. Those doubly heavy baryon states may be observed at Tevatron, LHCb and PANDA.     

Production of $ \Delta$(1232) -resonances on oxygen nuclei in 16O + p collisions at a momentum of 3.25 GeV/c per nucleon

The production of D⁺⁺ \Delta^{{++}}_{} and D⁰ \Delta^{0}_{} resonances on oxygen nuclei in ¹⁶O + p interactions at 3.25A GeV/c was investigated with 4p \pi acceptance. The masses and widths of the resonances were obtained from an analysis of the experimental and background invariant-mass distributions of pp^± \pi^{{\pm}}_{} pairs. The fractions of charged pions coming from D⁺⁺ \Delta^{{++}}_{} and D⁰ \Delta^{0}_{} decay were estimated. The momentum, kinetic energy, and emission angle distributions of D⁺⁺ \Delta^{{++}}_{} and D⁰ \Delta^{0}_{} resonances were reconstructed in the oxygen nucleus rest frame. The slope parameters, T₀ , of the reconstructed spectra of invariant cross-sections of D⁺⁺ \Delta^{{++}}_{} and D⁰ \Delta^{0}_{} resonances, produced on oxygen nuclei in ¹⁶O + p interactions at 3.25A GeV/c , were determined.     

On the Mixing Time of the 2D Stochastic Ising Model with “Plus” Boundary Conditions at Low Temperature

We consider the Glauber dynamics for the 2D Ising model in a box of side L, at inverse temperature β and random boundary conditions τ whose distribution P either stochastically dominates the extremal plus phase (hence the quotation marks in the title) or is stochastically dominated by the extremal minus phase. A particular case is when P is concentrated on the homogeneous configuration identically equal to +  (equal to ?). For β large enough we show that for any ${\varepsilon >0 }We consider the Glauber dynamics for the 2D Ising model in a box of side L, at inverse temperature β and random boundary conditions τ whose distribution P either stochastically dominates the extremal plus phase (hence the quotation marks in the title) or is stochastically dominated by the extremal minus phase. A particular case is when P is concentrated on the homogeneous configuration identically equal to +  (equal to −). For β large enough we show that for any ${\varepsilon >0 }${\varepsilon >0 } there exists c=c(b,e){c=c(\beta,\varepsilon)} such that the corresponding mixing time T _mix satisfies lim_L?￥ P(T_mix 3 exp(cL^e)) = 0{{\rm lim}_{L\to\infty}\,{\bf P}\left(T_{\rm mix}\ge {\rm exp}({cL^\varepsilon})\right) =0}. In the non-random case τ ≡ +  (or τ ≡ −), this implies that T_mix ￡ exp(cL^e){T_{\rm mix}\le {\rm exp}({cL^\varepsilon})}. The same bound holds when the boundary conditions are all +  on three sides and all − on the remaining one. The result, although still very far from the expected Lifshitz behavior T _mix = O(L ²), considerably improves upon the previous known estimates of the form T_mix ￡ exp(c L^{\frac 12 + e}){T_{\rm mix}\le {\rm exp}({c L^{\frac 12 + \varepsilon}})}. The techniques are based on induction over length scales, combined with a judicious use of the so-called “censoring inequality” of Y. Peres and P. Winkler, which in a sense allows us to guide the dynamics to its equilibrium measure.     

DN interaction from meson exchange

A model of the DN interaction is presented which is developed in close analogy to the meson-exchange [`(K)] \bar{{K}} N potential of the Jülich group utilizing SU(4) symmetry constraints. The main ingredients of the interaction are provided by vector meson (r \rho , w \omega exchange and higher-order box diagrams involving D <sup>*</sup> N , D D \Delta , and D <sup>*</sup> D \Delta intermediate states. The coupling of DN to the p \pi L<sub>c</sub> \Lambda_{c}^{} and p \pi S<sub>c</sub> \Sigma_{c}^{} channels is taken into account. The interaction model generates the L<sub>c</sub> \Lambda_{c}^{}(2595) -resonance dynamically as a DN quasi-bound state. Results for DN total and differential cross sections are presented and compared with predictions of two interaction models that are based on the leading-order Weinberg-Tomozawa term. Some features of the L<sub>c</sub> \Lambda_{c}^{}(2595) -resonance are discussed and the role of the near-by p \pi S<sub>c</sub> \Sigma_{c}^{} threshold is emphasized. Selected predictions of the orginal [`(K)] \bar{{K}} N model are reported too. Specifically, it is pointed out that the model generates two poles in the partial wave corresponding to the L \Lambda(1405) -resonance.     

Effect of carbon nanotubes on the isotropic to nematic and the nematic to smectic- A phase transitions in liquid crystal and carbon nanotubes composites

A high-resolution ac-calorimetric study on the weakly first-order isotropic to nematic (I -N and the continuous nematic to smectic-A (N -SmA phase transitions of the liquid crystal octyl-cyanobiphenyl (8CB) doped with well-dispersed multiwall carbon nanotubes (CNTs) as a function of CNT concentrations is reported. Thermal scans were performed for all samples having CNT weight fraction from f_w \phi_{{w}}^{} = 0.0005 to 0.0060 over a wide temperature range well above and below the two transitions in pure 8CB. Both the I -N and the N -SmA transitions evolve in character and have their transition temperatures qualitatively offset by ∼ 1.10 K lower as compared to that in pure 8CB for all 8CB+CNTs samples. The enthalpy change associated with each phase transition is essentially the same as that of pure 8CB and remains unchanged with increasing f_w \phi_{{w}}^{} . However, there is an evidence that the thermal transport properties of the composites differ from the pure LC upon cooling below a f_w \phi_{{w}}^{} -dependent temperature within the nematic phase. In addition, a new C_p feature is resolved for intermediate f_w \phi_{{w}}^{} samples that appears to be correlated to this onset temperature.     

The ultimate sensitivity of a high-temperature microwave SQUID magnetometer operating in the hysteresis regime

A method for the determination of the noise spectral density in a high-temperature microwave SQUID operating in the hysteresis regime is developed. Under these conditions, the reflection coefficient serves as an output signal. It is shown that if a directional coupler used for extracting the reflected wave is placed as close to the SQUID loop as possible, the magnetometer can be designed as a microwave integrated circuit with a noise flux spectral density S_F ^1/2 < 10 ^{- 5} F₀ /\textHz^{\text0\text.5} ,\textwhere F_\text0 S_\Phi ^{1/2} < 10^{ - 5} \Phi _0 /{\text{Hz}}^{{\text{0}}{\text{.5}}} ,{\text{where }}\Phi _{\text{0}} , is the magnetic flux quantum.     

An analytical expression for the specific capacity of lithium ion cells

The concentration of lithium ions in the cathode of lithium ion cells has been obtained by solving the materials balance equation $$\frac{{\partial c}}{{\partial t}} = \varepsilon ^{1/2} D\frac{{\partial ^2 c}}{{\partial x^2 }} + \frac{{aj_n (1--t_ + )}}{\varepsilon }$$ by Laplace transform. On the assumption that the cell is fully discharged when there are zero lithium ions at the current collector of the cathode, the discharge timet _d is obtained as $$\tau = \frac{{r^2 }}{{\pi ^2 \varepsilon ^{1/2} }}\ln \left[ {\frac{{\pi ^2 }}{{r^2 }}\left( {\frac{{\varepsilon ^{1/2} }}{J} + \frac{{r^2 }}{6}} \right)} \right]$$ which, when substituted into the equationC=It _d /M, whereI is the discharge current andM is the mass of the separator and positive electrode, an analytical expression for the specific capacity of the lithium cell is given as $$C = \frac{{IL_c ^2 }}{{\pi {\rm M}D\varepsilon ^{1/2} }}\ln \left[ {\frac{{\pi ^2 }}{2}\left( {\frac{{FDc_0 \varepsilon ^{3/2} }}{{I(1 - t_ + )L_c }} + \frac{1}{6}} \right)} \right]$$      

High energy radiation femtochemistry of water molecules: early electron-radical pairs processes

The damages triggered by ionizing radiation on chemical and biological targets depend on the survival probability of radicals produced in clusters of ionization-excitation events. In this paper, we report on femtolysis (FEMTOsecond radioLYSIS) of pure liquid water using an innovative laser produced high-energy, ultra-short electron bunches in the 2.5-15 MeV range and high energy radiation femtochemistry (HERF) measurements. The short-time monitoring of a primary reducing radical, hydrated electron e^-_aq^{-}_{aq}, has been performed in confined ionization spaces (nascent spurs). The calculated yield of hydrated electrons at early time, G(e^-_aq)_ETG({\rm e}^{-}_{aq})_{ET}, is estimated to be 6.5 ± 0.5 (number/100 eV) at t ~ 5 ps after the ultrafast energy deposition. This estimated value is high compare to (i) the available data of previous works that used scavenging techniques; (ii) the predictions of stochastic water radiolysis modelling for which the initial behaviour of hydrated electron is investigated in the framework of a classical diffusion regime of independent pairs. The HERF developments give new insights into the early ubiquitous radical escape probability in nascent aqueous spurs and emphasize the importance of short-lived solvent bridged electron-radical complexes [H₃O^+...{\rm H}_{3}{\rm O}^{+...}  e_aq^-{\rm e}_{aq}^{-} ..OH]_nH2O{\rm OH}]_{n{\rm H}_2{\rm O}} (non-independent pairs). A complete understanding of the G(e^-_aq)_ET{\rm e}^{-}_{aq})_{ET} value needs to account for quantum aspects of 1s-like trapped electron ground state and neoformed prototropic radicals that govern ultra-fast recombination processes within these non-independent pair configurations. Femtolysis data emphasize that within a time-dependent non-diffusion regime, spatio-temporal correlations between hydrated electron and nearest neighbours OH radical or hydrated proton (H₃O⁺{\rm H}_{3}{\rm O}^{+}) would assist ultrafast anisotropic 1D recombination within solvent bridged electron-radical complexes. The emerging HERF domain would provide guidance for understanding of ultrashort-lived sub-structure of tracks and stimulate future semi-quantum simulations on prethermal radical reactions.     

Transversity in hard exclusive electroproduction of pseudoscalar mesons

Estimates for electroproduction of pseudoscalar mesons at small values of skewness are presented. Cross-sections and asymmetries for these processes are calculated within the handbag approach which is based on factorization in hard parton subprocesses and soft generalized parton distributions (GPDs). The latter are constructed from double distributions. Transversity GPDs are taken into account; they are accompanied by twist-3 meson wave functions. For most pseudoscalar-meson channels a combination of ˜_T and [`(E)]_T \bar{{E}}_{T}^{} plays a particularly prominent role. This combination of GPDs, which we constrain by moments obtained from lattice QCD, leads, with the exception of the p⁺ \pi^{+}_{} and h^￠ \eta^{\prime}_{} channels, to large transverse cross-sections.