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Molecular dynamics simulations were carried out on a Lennard-Jones binary mixture of rigid (fixed bond length) diatomic molecules. The translational and rotational correlation functions, and the corresponding susceptibilities, exhibit two…

Soft Condensed Matter · Physics 2015-06-16 D. Fragiadakis , C. M. Roland

Molecular dynamics simulations (mds) were carried out to investigate the reorientational motion of a rigid (fixed bond length), asymmetric diatomic molecule in the liquid and glassy states. In the latter the molecule reorients via…

Soft Condensed Matter · Physics 2015-06-04 D. Fragiadakis , C. M. Roland

We investigate the Johari-Goldstein (JG) $\beta$-relaxation process in a model metallic glass-forming (GF) material (Al90Sm10), previously studied extensively by both frequency-dependent mechanical measurements and simulation studies…

Materials Science · Physics 2021-03-09 Hao Zhang , Xinyi Wang , Hai-Bin Yu , Jack F. Douglas

Supercooled liquids undergo complicated structural relaxation processes, which have been a long-standing problem in both experimental and theoretical aspects of condensed matter physics. In particular, past experiments universally observed…

Soft Condensed Matter · Physics 2023-03-31 Kumpei Shiraishi , Hideyuki Mizuno , Atsushi Ikeda

We show that by representing quasi-elastic and inelastic neutron scattering from propylene carbonate (PC) with an explicitly heterogeneous model, we recover two distinct dynamic signatures in addition to diffusive motion. The intermediate…

Soft Condensed Matter · Physics 2016-07-28 Marcus T Cicerone , Madhusudan Tyagi

We show using molecular dynamics simulations that simple diatomic molecules in the glassy state exhibit only limited participation in the Johari-Goldstein (JG) relaxation process. That is, with sufficient cooling local reorientations are…

Soft Condensed Matter · Physics 2017-07-05 D. Fragiadakis , C. M. Roland

The relaxation properties of viscous liquids close to their glass transition (GT) have been widely characterised by the statistical tool of time correlation functions. However, the strong influence of ubiquitous non-linearities calls for…

Soft Condensed Matter · Physics 2021-09-14 Antonio Tripodo , Francesco Puosi , Marco Malvaldi , Dino Leporini

We show that incoherent quasi-elastic neutron scattering (QENS) from molecular liquids reveals a two-state dynamic heterogeneity on a 1 ps timescale, where molecules are either highly confined or are free to undergo relatively large…

Soft Condensed Matter · Physics 2015-06-17 Marcus T. Cicerone , Qin Zhong , Madhusudan Tyagi

Using molecular dynamics simulations we examine the system size dependence of the fast dynamics in two model glass forming liquids, one of them a Lennard-Jones mixture for which cooperative fast relaxation has been reported. We find no…

Soft Condensed Matter · Physics 2018-10-17 D. Fragiadakis , C. M. Roland

We employ an atomic-scale theory within the framework of nonaffine lattice dynamics to uncover the origin of the Johari-Goldstein (JG) $\beta$-relaxation in metallic glasses (MGs). Combining simulation and experimental data with our…

Disordered Systems and Neural Networks · Physics 2018-10-09 Bingyu Cui , Zach Evenson , Beibei Fan , Mao-Zhi Li , Wei-Hua Wang , Alessio Zaccone

We presented that the relaxation of n coupling molecules in a molecular string exhibits n individual relaxation modes (RMs), each mode being characterized by a definite relaxation time and amplitude according to the string model. The n RMs…

Disordered Systems and Neural Networks · Physics 2008-02-29 Y. N Huang , J. L. Zhang , L. L. Zhang , L. N. Wang

Using molecular dynamics simulations we examine the dynamics of a family of model polymers with varying chain length and torsional potential barriers. We focus on features of the dynamics of polymers that are seen experimentally but absent…

Soft Condensed Matter · Physics 2019-06-11 Daniel Fragiadakis , C. Michael Roland

We investigate the fast $\beta$- and Johari-Goldstein (JG) $\beta$-relaxation processes, along with the elastic scattering response of glass-forming (GF) liquids and the Boson peak, in a simulated Al-Sm GF material exhibiting a…

Materials Science · Physics 2021-03-17 Hao Zhang , Xinyi Wang , Hai-Bin Yu , Jack F. Douglas

The existence of heterogeneity in the dynamics of supercooled liquids is believed to be one of the hallmarks of the glass transition. Intense research has been carried out in the past to understand the origin of this heterogeneity in…

Soft Condensed Matter · Physics 2020-07-01 Indrajit Tah , Smarajit Karmakar

Molecular dynamics simulations are performed to investigate heterogeneous dynamics in amorphous glassy materials under oscillatory shear strain. We consider three-dimensional binary Lennard-Jones mixture well below the glass transition…

Soft Condensed Matter · Physics 2013-05-10 Nikolai V. Priezjev

The elusive connection between dynamics and local structure in supercooled liquids is an important piece of the puzzle in the unsolved problem of the glass transition. The Johari-Goldstein beta relaxation, ubiquitous in glass-forming…

Soft Condensed Matter · Physics 2017-03-08 D. Fragiadakis , C. M. Roland

Stress relaxation following deformation of an entangled polymeric liquid is thought to be affected by transient reforming of chain entanglements. In this work, we use single molecule techniques to study the relaxation of individual polymers…

Soft Condensed Matter · Physics 2018-07-04 Yuecheng Zhou , Charles M. Schroeder

In this paper the phenomenon of dynamic heterogeneity in supercooled liquid systems is considered in terms of the recently proposed gauge theory of glass transition. The physical interpretation of the dynamic scaling is considered. It is…

Statistical Mechanics · Physics 2015-06-23 Mikhail Vasin

We investigate the heterogeneous dynamics in a model, where chemical gelation and glass transition interplay, focusing on the dynamical susceptibility. Two independent mechanisms give raise to the correlations, which are manifested in the…

Soft Condensed Matter · Physics 2017-05-09 Antonio de Candia , Annalisa Fierro , Raffaele Pastore , Massimo Pica Ciamarra , Antonio Coniglio

Many systems, including polymers and molecular liquids, when adequately cooled and/or compressed, solidify into a disordered solid, i.e., a glass. The~transition is not abrupt, featuring progressive decrease of the microscopic mobility and…

Soft Condensed Matter · Physics 2019-11-19 Francesco Puosi , Antonio Tripodo , Dino Leporini
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