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DOI: 10.1021/acs.macromol.8b00840
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20 Citations

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Ref Arxiv: 1710.03574
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DOI: 10.1016/j.physa.2018.06.087
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Simulation data are analyzed for four 3D spin- 1∕2 Ising models: on the FCC lattice, the BCC lattice, the SC lattice and the Diamond lattice. The observables studied are the susceptibility, the reduced second moment correlation length, and the normalized Binder cumulant. From measurements covering the entire paramagnetic temperature regime the corrections to scaling are estimated. We conclude that a correction term having an exponent which is consistent within the statistics with the bootstrap value of the universal subleading thermal confluent correction exponent, θ2∼2.454(3) , is almost always present with a significant amplitude. In all four models, for the normalized Binder cumulant the leading confluent correction term has zero amplitude. This implies that the universal ratio of leading confluent correction amplitudes aχ4∕aχ=2 in the 3D Ising universality class.

Ref HAL: hal-01833984_v1
DOI: 10.1103/PhysRevLett.121.018002
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8 Citations
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We use X-ray tomography to investigate the translational and rotational dynamical heterogeneitiesof a three dimensional hard ellipsoids granular packing driven by oscillatory shear. We find thatparticles which translate quickly form clusters with a size distribution given by a power-law withan exponent that is independent of the strain amplitude. Identical behavior is found for particles that are translating slowly, rotating quickly, or rotating slowly. The geometrical properties of these four different types of clusters are the same as those of random clusters. Different cluster types are considerably correlated/anticorrelated, indicating a significant coupling between translational androtational degrees of freedom. Surprisingly these clusters are formed already at time scales that aremuch shorter than theα−relaxation time, in stark contrast to the behavior found in glass-forming systems.

Ref HAL: hal-01825140_v1
Ref Arxiv: 1803.11502
DOI: 10.1073/pnas.1806156115
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65 Citations
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We combine an analytically solvable mean-field elasto-plastic model with molecular dynamics simulations of a generic glass-former to demonstrate that, depending on their preparation protocol, amorphous materials can yield in two qualitatively distinct ways. We show that well-annealed systems yield in a discontinuous brittle way, as metallic and molecular glasses do. Yielding corresponds in this case to a first-order nonequilibrium phase transition. As the degree of annealing decreases, the first-order character becomes weaker and the transition terminates in a second-order critical point in the universality class of an Ising model in a random field. For even more poorly annealed systems, yielding becomes a smooth crossover, representative of the ductile rheological behavior generically observed in foams, emulsions, and colloidal glasses. Our results show that the variety of yielding behavior found in amorphous materials does not result from the diversity of particle interactions or microscopic dynamics {\it per se}, but is instead unified by carefully considering the role of the initial stability of the system.

Commentaires: 15 pages, 14 figures. V2: Accepted for publication in Proc. Natl. Acad. Sci. USA. Réf Journal: Proc. Natl. Acad. Sci. USA 115, 6656 (2018)

Ref HAL: hal-01818216_v1
DOI: 10.1140/epje/i2018-11671-2
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11 Citations
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The physical behavior of glass-forming liquids presents complex features of both dynamic and thermodynamic nature. Some studies indicate the presence of thermodynamic anomalies and of crossovers in the dynamic properties, but their origin and degree of universality is difficult to assess. Moreover, conventional simulations are barely able to cover the range of temperatures at which these crossovers usually occur. To address these issues, we simulate the Kob-Andersen Lennard-Jones mixture using efficient protocols based on multi-CPU and multi-GPU parallel tempering. Our setup enables us to probe the thermodynamics and dynamics of the liquid at equilibrium well below the critical temperature of mode-coupling theory, TMCT=0.435. We find that below T=0.4 the analysis is hampered by partial crystallization of the metastable liquid, which nucleates extended regions populated by large particles arranged in an fcc structure. By filtering out crystalline samples, we reveal that the specific heat grows in a regular manner down to T=0.38. Possible thermodynamic anomalies suggested by previous studies can thus occur only in a region of the phase diagram where the system is highly metastable. Using the equilibrium configurations obtained from the parallel tempering simulations, we perform molecular dynamics and Monte Carlo simulations to probe the equilibrium dynamics down to T=0.4. A temperature-derivative analysis of the relaxation time and diffusion data allows us to assess different dynamic scenarios around TMCT. Hints of a dynamic crossover come from analysis of the four-point dynamic susceptibility. Finally, we discuss possible future numerical strategies to clarify the nature of crossover phenomena in glass-forming liquids.