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Register a new userComputer Simulation Study of the Phase Behavior and Structural Relaxation in a Gel-Former Modeled by Three Body Interactions
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We report a computer simulation study of a model gel-former obtained by modifying the three-body interactions of the Stillinger-Weber potential for silicon. This modification reduces the average coordination number and consequently shifts the liquid-gas phase coexistence curve to low densities, thus facilitating the formation of gels without phase separation. At low temperatures and densities, the structure of the system is characterized by the presence of long linear chains interconnected by a small number of three coordinated junctions at random locations. At small wave-vectors the static structure factor shows a non-monotonic dependence on temperature, a behavior which is due to the competition between the percolation transition of the particles and the stiffening of the formed chains. We compare in detail the relaxation dynamics of the system as obtained from molecular dynamics with the one obtained from Monte Carlo dynamics. We find that the bond correlation function displays stretched exponential behavior at moderately low temperatures and densities, but exponential relaxation at low temperatures. The bond lifetime shows an Arrhenius behavior, independent of the microscopic dynamics. For the molecular dynamics at low temperatures, the mean squared displacement and the (coherent and incoherent) intermediate scattering function display at intermediate times a dynamics with ballistic character and we show that this leads to compressed exponential relaxation. For the Monte Carlo dynamics we find always an exponential or stretched exponential relaxation. Thus we conclude that the compressed exponential relaxation observed in experiments is due to the out-of-equilibrium dynamics.
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We report a molecular dynamics simulation study of a model gel whose interaction potential is obtained by modifying the three body Stillinger-Weber model potential for silicon. The modification reduces the average coordination number, and suppresses the liquid-gas phase coexistence curve. The low density, low temperature equilibrium gel that can thus form exhibits interesting dynamical behavior, including compressed exponential relaxation of density correlations. We show that motion responsible for such relaxation has ballistic character, and arises from the motion of chain segments in the gel without the restructuring of the gel network.
We study the dynamics of a few-quantum-particle cloud in the presence of two- and three-body interactions in weakly disordered one-dimensional lattices. The interaction is dramatically enhancing the Anderson localization length $xi_1$ of noninteracting particles. We launch compact wave packets and show that few-body interactions lead to transient subdiffusion of wave packets, $m_2 sim t^{alpha}$, $alpha<1$, on length scales beyond $xi_1$. The subdiffusion exponent is independent of the number of particles. Two-body interactions yield $alphaapprox0.5$ for two and three particles, while three-body interactions decrease it to $alphaapprox0.2$. The tails of expanding wave packets exhibit exponential localization with a slowly decreasing exponent. We relate our results to subdiffusion in nonlinear random lattices, and to results on restricted diffusion in high-dimensional spaces like e.g. on comb lattices.
The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems and describe how they can be tackled using a synthesis of biased Monte Carlo sampling and histogram extrapolation methods, married to a standard fluid simulation algorithm. It is demonstrated that the combined approach provides a powerful method for tracing fluid phase boundaries.
The interplay of interactions and strong disorder can lead to an exotic quantum many-body localized (MBL) phase. Beyond the absence of transport, the MBL phase has distinctive signatures, such as slow dephasing and logarithmic entanglement growth; they commonly result in slow and subtle modification of the dynamics, making their measurement challenging. Here, we experimentally characterize these properties of the MBL phase in a system of coupled superconducting qubits. By implementing phase sensitive techniques, we map out the structure of local integrals of motion in the MBL phase. Tomographic reconstruction of single and two qubit density matrices allowed us to determine the spatial and temporal entanglement growth between the localized sites. In addition, we study the preservation of entanglement in the MBL phase. The interferometric protocols implemented here measure affirmative correlations and allow us to exclude artifacts due to the imperfect isolation of the system. By measuring elusive MBL quantities, our work highlights the advantages of phase sensitive measurements in studying novel phases of matter.
X-ray photon correlation is used to probe the slow dynamics of the glass-former B2O3 across the glass transition. In the undercooled liquid phase the decay times of the measured correlation functions are consistent with visible light scattering results and independent of the incoming flux; in the glass they are instead temperature independent and show a definite dependence on the X-ray flux. This dependence can be exploited to obtain information on the volume occupied by the atoms that move in the glass following an absorption event. The length scale derived in this way, of the order of the nanometer, is consistent with that reported for the dynamical heterogeneities, suggesting the existence of a new scheme to get access to this fundamental quantity.
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