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Register a new userAtomic Mechanism of Flow in Simple Liquids under Shear
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Atomic correlations in a simple liquid in steady-state flow under shear stress were studied by molecular dynamics simulation. The local atomic level strain was determined through the anisotropic pair-density function (PDF). The atomic level strain has a limited spatial extension whose range is dependent on the strain rate and extrapolates to zero at the critical strain rate. A failure event is identified with altering the local topology of atomic connectivity by exchanging bonds among neighboring atoms.
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Non-Newtonian transport properties of an inertial suspension of inelastic rough hard spheres under simple shear flow are determined from the Boltzmann kinetic equation. The influence of the interstitial gas on rough hard spheres is modeled via a Fokker-Planck generalized equation for rotating spheres accounting for the coupling of both the translational and rotational degrees of freedom of grains with the background viscous gas. The generalized Fokker-Planck term is the sum of two ordinary Fokker-Planck differential operators in linear $mathbf{v}$ and angular $boldsymbol{omega}$ velocity space. As usual, each Fokker-Planck operator is constituted by a drag force term (proportional to $mathbf{v}$ and/or $boldsymbol{omega}$) plus a stochastic Langevin term defined in terms of the background temperature $T_text{ex}$. The Boltzmann equation is solved by two different but complementary approaches: (i) by means of Grads moment method, and (ii) by using a Bhatnagar-Gross-Krook (BGK)-type kinetic model adapted to inelastic rough hard spheres. As occurs in the case of emph{smooth} inelastic hard spheres, our results show that both the temperature and the non-Newtonian viscosity increase drastically with increasing the shear rate (discontinuous shear thickening effect) while the fourth-degree velocity moments also exhibit an $S$-shape. In particular, while high levels of roughness may slightly attenuate the jump of the viscosity in comparison to the smooth case, the opposite happens for the rotational temperature. As an application of these results, a linear stability analysis of the steady simple shear flow solution is also carried out showing that there are regions of the parameter space where the steady solution becomes linearly unstable.
Yielding behavior in amorphous solids has been investigated in computer simulations employing uniform and cyclic shear deformation. Recent results characterise yielding as a discontinuous transition, with the degree of annealing of glasses being a significant parameter. Under uniform shear, discontinuous changes in stresses at yielding occur in the high annealing regime, separated from the poor annealing regime in which yielding is gradual. In cyclic shear simulations, relatively poorly annealed glasses become progressively better annealed as the yielding point is approached, with a relatively modest but clear discontinuous change at yielding. To understand better the role of annealing on yielding characteristics, we perform athermal quasistaic cyclic shear simulations of glasses prepared with a wide range of annealing in two qualitatively different systems -- a model of silica (a network glass), and an atomic binary mixture glass. Two strikingly different regimes of behavior emerge: Energies of poorly annealed samples evolve towards a unique threshold energy as the strain amplitude increases, before yielding takes place. Well annealed samples, in contrast, show no significant energy change with strain amplitude till they yield, accompanied by discontinuous energy changes that increase with the degree of annealing. Significantly, the threshold energy for both systems correspond to dynamical crossover temperatures associated with changes in the character of the energy landscape sampled by glass forming liquids. Uniform shear simulations support the recently discussed scenario of a random critical point separating ductile and brittle yielding, which our results now associate with dynamical crossover temperatures in the corresponding liquids.
Using molecular dynamics simulation, we have calculated the pressure dependence of the diffusion constant in a binary Lennard-Jones Glass. We observe four temperature regimes. The apparent activation volume drops from high values in the hot liquid to a plateau value. Near the critical temperature of the mode coupling theory it rises steeply, but in the glassy state we find again small values, similar to the ones in the liquid. The peak of the activation volume at the critical temperature is in agreement with the prediction of mode coupling theory.
The Boltzmann equation for inelastic Maxwell models is considered to determine the rheological properties in a granular binary mixture in the simple shear flow state. The transport coefficients (shear viscosity and viscometric functions) are {em exactly} evaluated in terms of the coefficients of restitution, the (reduced) shear rate and the parameters of the mixture (particle masses, diameters and concentration). The results show that in general, for a given value of the coefficients of restitution, the above transport properties decrease with increasing shear rate.
This work aims at reconsidering several interpretations coexisting in the recent literature concerning non-linear susceptibilities in supercooled liquids. We present experimental results on glycerol and propylene carbonate showing that the three independent cubic susceptibilities have very similar frequency and temperature dependences, both for their amplitudes and phases. This strongly suggests a unique physical mechanism responsible for the growth of these non-linear susceptibilities. We show that the framework proposed by two of us [BB, Phys. Rev. B 72, 064204 (2005)], where the growth of non-linear susceptibilities is intimately related to the growth of glassy domains, accounts for all the salient experimental features. We then review several complementary and/or alternative models, and show that the notion of cooperatively rearranging glassy domains is a key (implicit or explicit) ingredient to all of them. This paves the way for future experiments which should deepen our understanding of glasses.
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