The Experts below are selected from a list of 125943 Experts worldwide ranked by ideXlab platform
Federico Riccitersenghi - One of the best experts on this subject based on the ideXlab platform.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
Soft Matter, 2021Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, such as granular materials, foams, and glasses in their high density regime. This has motivated the development of a theoretical framework capable of explaining many of their static critical properties with a unified approach. However, the dynamics occurring in the vicinity of the jamming point has received little attention and the problem of finding a connection with the local structure of the configuration remains unexplored. Here we address this issue by constructing physically well defined Structural Variables using the information contained in the network of contacts of jammed configurations, and then showing that such Variables yield a resilient statistical description of the particle-wise dynamics near this critical point. Our results are based on extensive numerical simulations of systems of spherical particles that allow us to statistically characterize the trajectories of individual particles in terms of their first two moments. We first demonstrate that, besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. Next, we associate each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely molecular dynamics and Monte Carlo, with different types of interaction. We also provide evidence that the dynamical regime we study here is dominated by anharmonic effects and therefore it cannot be described properly in terms of vibrational modes. Finally, we show that correlations decay slowly and in an interaction-independent fashion, suggesting a universal rate of information loss.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
arXiv: Statistical Mechanics, 2019Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, like granular materials, emulsions, foams, and glasses in their high density regime, and has therefore motivated the development of a theoretical framework which allows to study the associated static critical properties they exhibit from an unified approach. However, the dynamics that takes place in the vicinity of the jamming point has so far received little attention and, consequently, the problem of finding a connection with the local structure of the configuration remains significantly unexplored. In this work we address this issue by using the Structural information of the jamming point, specifically the resulting network of contact forces, to construct well defined physical Variables that allow a statistical description of the dynamics near to this critical point. Our results are based on extensive numerical simulations of different systems of spherical particles that allow us to characterize statistically their trajectories, at a single particle level, in terms of their first two moments. We first show that besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. We then link each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations compared with other methods. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely Molecular Dynamics and Monte Carlo simulations, with different interaction types. We thus obtain a particle wise description of the configuration's dynamics near jamming and provide a simple, yet strong connection with its Structural properties in the static regime. Finally, we show that these correlations decay very slowly and in a system independent fashion, suggesting an universal rate of information loss.
Rafael Diaz Hernandez Rojas - One of the best experts on this subject based on the ideXlab platform.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
Soft Matter, 2021Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, such as granular materials, foams, and glasses in their high density regime. This has motivated the development of a theoretical framework capable of explaining many of their static critical properties with a unified approach. However, the dynamics occurring in the vicinity of the jamming point has received little attention and the problem of finding a connection with the local structure of the configuration remains unexplored. Here we address this issue by constructing physically well defined Structural Variables using the information contained in the network of contacts of jammed configurations, and then showing that such Variables yield a resilient statistical description of the particle-wise dynamics near this critical point. Our results are based on extensive numerical simulations of systems of spherical particles that allow us to statistically characterize the trajectories of individual particles in terms of their first two moments. We first demonstrate that, besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. Next, we associate each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely molecular dynamics and Monte Carlo, with different types of interaction. We also provide evidence that the dynamical regime we study here is dominated by anharmonic effects and therefore it cannot be described properly in terms of vibrational modes. Finally, we show that correlations decay slowly and in an interaction-independent fashion, suggesting a universal rate of information loss.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
arXiv: Statistical Mechanics, 2019Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, like granular materials, emulsions, foams, and glasses in their high density regime, and has therefore motivated the development of a theoretical framework which allows to study the associated static critical properties they exhibit from an unified approach. However, the dynamics that takes place in the vicinity of the jamming point has so far received little attention and, consequently, the problem of finding a connection with the local structure of the configuration remains significantly unexplored. In this work we address this issue by using the Structural information of the jamming point, specifically the resulting network of contact forces, to construct well defined physical Variables that allow a statistical description of the dynamics near to this critical point. Our results are based on extensive numerical simulations of different systems of spherical particles that allow us to characterize statistically their trajectories, at a single particle level, in terms of their first two moments. We first show that besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. We then link each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations compared with other methods. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely Molecular Dynamics and Monte Carlo simulations, with different interaction types. We thus obtain a particle wise description of the configuration's dynamics near jamming and provide a simple, yet strong connection with its Structural properties in the static regime. Finally, we show that these correlations decay very slowly and in a system independent fashion, suggesting an universal rate of information loss.
Daryle H Busch - One of the best experts on this subject based on the ideXlab platform.
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dynamic cis trans bridge isomerism in the cyclidene family of dioxygen carriers a bicyclic cyclidene with a trans bridge orientation
Inorganic Chemistry, 1997Co-Authors: Alexander G Kolchinski, Nathaniel W Alcock, Daryle H BuschAbstract:A new type of isomerism has been detected in the cyclidene family of lacunar dioxygen carriers, providing an additional Structural Variable for the control of their oxygen affinity. In those rare complexes that do not have methyl substituents on the primary macrocycle, NMR and X-ray crystallographic data indicate that, in addition to their usual cis orientation, the bridges can also adopt a trans orientation. In the crystal structure of [Co(C8MeHH[16]cyclidene)](PF6)2·3CH3OH, the bridge has this trans orientation with one end in the “lid-on” configuration while the other end is “lid-off”. The trans orientation of the bridge is identified as the principal cause of the decreased dioxygen affinity of such unsubstituted cyclidenes.
Giorgio Parisi - One of the best experts on this subject based on the ideXlab platform.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
Soft Matter, 2021Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, such as granular materials, foams, and glasses in their high density regime. This has motivated the development of a theoretical framework capable of explaining many of their static critical properties with a unified approach. However, the dynamics occurring in the vicinity of the jamming point has received little attention and the problem of finding a connection with the local structure of the configuration remains unexplored. Here we address this issue by constructing physically well defined Structural Variables using the information contained in the network of contacts of jammed configurations, and then showing that such Variables yield a resilient statistical description of the particle-wise dynamics near this critical point. Our results are based on extensive numerical simulations of systems of spherical particles that allow us to statistically characterize the trajectories of individual particles in terms of their first two moments. We first demonstrate that, besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. Next, we associate each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely molecular dynamics and Monte Carlo, with different types of interaction. We also provide evidence that the dynamical regime we study here is dominated by anharmonic effects and therefore it cannot be described properly in terms of vibrational modes. Finally, we show that correlations decay slowly and in an interaction-independent fashion, suggesting a universal rate of information loss.
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inferring the particle wise dynamics of amorphous solids from the local structure at the jamming point
arXiv: Statistical Mechanics, 2019Co-Authors: Rafael Diaz Hernandez Rojas, Giorgio Parisi, Federico RiccitersenghiAbstract:Jamming is a phenomenon shared by a wide variety of systems, like granular materials, emulsions, foams, and glasses in their high density regime, and has therefore motivated the development of a theoretical framework which allows to study the associated static critical properties they exhibit from an unified approach. However, the dynamics that takes place in the vicinity of the jamming point has so far received little attention and, consequently, the problem of finding a connection with the local structure of the configuration remains significantly unexplored. In this work we address this issue by using the Structural information of the jamming point, specifically the resulting network of contact forces, to construct well defined physical Variables that allow a statistical description of the dynamics near to this critical point. Our results are based on extensive numerical simulations of different systems of spherical particles that allow us to characterize statistically their trajectories, at a single particle level, in terms of their first two moments. We first show that besides displaying a broad distribution of mobilities, particles may also have preferential directions of motion. We then link each of these features with a Structural Variable computed uniquely in terms of the contact vectors at jamming, obtaining considerably high statistical correlations compared with other methods. The robustness of our approach is confirmed by testing two types of dynamical protocols, namely Molecular Dynamics and Monte Carlo simulations, with different interaction types. We thus obtain a particle wise description of the configuration's dynamics near jamming and provide a simple, yet strong connection with its Structural properties in the static regime. Finally, we show that these correlations decay very slowly and in a system independent fashion, suggesting an universal rate of information loss.
Vlasis G Mavrantzas - One of the best experts on this subject based on the ideXlab platform.
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a constitutive rheological model for agglomerating blood derived from nonequilibrium thermodynamics
Physics of Fluids, 2018Co-Authors: Ioanna Ch Tsimouri, Pavlos S Stephanou, Vlasis G MavrantzasAbstract:Red blood cells tend to aggregate in the presence of plasma proteins, forming structures known as rouleaux. Here, we derive a constitutive rheological model for human blood which accounts for the formation and dissociation of rouleaux using the generalized bracket formulation of nonequilibrium thermodynamics. Similar to the model derived by Owens and co-workers [“A non-homogeneous constitutive model for human blood. Part 1. Model derivation and steady flow,” J. Fluid Mech. 617, 327–354 (2008)] through polymer network theory, each rouleau in our model is represented as a dumbbell; the corresponding Structural Variable is the conformation tensor of the dumbbell. The kinetics of rouleau formation and dissociation is treated as in the work of Germann et al. [“Nonequilibrium thermodynamic modeling of the structure and rheology of concentrated wormlike micellar solutions,” J. Non-Newton. Fluid Mech. 196, 51–57 (2013)] by assuming a set of reversible reactions, each characterized by a forward and a reverse rate ...
