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In conventional glassformers at sufficiently short times and low enough temperatures, molecules are mutually caged by the intermolecular potential. The fluctuation and dissipation from motion of caged molecules when observed by elastic…

Soft Condensed Matter · Physics 2011-06-30 K. L. Ngai , S. Capaccioli , A. Paciaroni

We derive a closed equation for the empirical concentration of colloidal particles in the presence of both hydrodynamic and direct interactions. The ensemble average of our functional Langevin equation reproduces known deterministic Dynamic…

Statistical Mechanics · Physics 2015-06-19 A. Donev , E. Vanden-Eijnden

We present a first-principles formalism for studying dynamical heterogeneities in glass forming liquids. Based on the Non-Equilibrium Self-Consistent Generalized Langevin Equation theory, we were able to describe the time-dependent local…

Soft Condensed Matter · Physics 2022-04-06 J. Lira-Escobedo , J. R. Velez-Cordero , Pedro E. Ramírez-González

Lipid structures exhibit complex and highly dynamic lateral structure; and changes in lipid density and fluidity are believed to play an essential role in membrane targeting and function. The dynamic structure of liquids on the molecular…

Soft Condensed Matter · Physics 2016-12-21 Neda Dadashvand , Christina M. Othon

Supercooled liquids exhibit spatial heterogeneity in the dynamics of their fluctuating atomic arrangements. The length and time scales of the heterogeneous dynamics are central to the glass transition and influence nucleation and growth of…

Materials Science · Physics 2018-05-09 Pei Zhang , Jason J. Maldonis , Ze Liu , Jan Schroers , Paul M. Voyles

Mode coupling theory (MCT) has had notable successes in addressing the rheology of hard-sphere colloidal glasses, and also soft colloidal glasses such as star-polymers. Here, we explore the properties of a recently developed MCT-based…

Soft Condensed Matter · Physics 2012-03-30 Th. Voigtmann , J. M. Brader , M. Fuchs , M. E. Cates

In a preceding paper, Mukhopadhyay and I studied the diffusive motion of a tagged molecule in a heterogeneous glass-forming liquid at temperatures just above a glass transition. Among other features of this system, we postulated a relation…

Statistical Mechanics · Physics 2009-11-13 J. S. Langer

We employ Reactive Dynamical Density Functional Theory (R-DDFT) and Reactive Brownian Dynamics (R-BD) simulations to investigate the dynamics of a suspension of active soft Gaussian colloids with binary interaction switching, i.e., a…

Soft Condensed Matter · Physics 2022-07-29 Michael Bley , Pablo I. Hurtado , Joachim Dzubiella , Arturo Moncho-Jordá

How does nonequilibrium activity modify the approach to a glass? This is an important question, since many experiments reveal the near-glassy nature of the cell interior, remodelled by activity. However, different simulations of dense…

Soft Condensed Matter · Physics 2018-08-28 Saroj Kumar Nandi , Rituparno Mandal , Pranab Jyoti Bhuyan , Chandan Dasgupta , Madan Rao , Nir. S. Gov

We use molecular dynamics computer simulations to investigate the coupling/decoupling between translational and rotational dynamics in a glass-forming liquid of dumbbells. This is done via a careful analysis of the $\alpha$-relaxation time…

Soft Condensed Matter · Physics 2009-11-13 Song-Ho Chong , Walter Kob

Activity-driven glassy dynamics, while ubiquitous in collective cell migration, intracellular transport, dynamics in bacterial and ant colonies, etc., also extend the scope and extent of the as-yet mysterious physics of glass transition.…

Soft Condensed Matter · Physics 2023-05-11 Kallol Paul , Anoop Mutneja , Saroj Kumar Nandi , Smarajit Karmakar

We have studied the relation between the structural relaxation and the frequency dependent thermal response or the specific heat, $c_p(\omega)$, in a supercooled liquid. The Mode Coupling Theory (MCT) results are used to obtain…

Statistical Mechanics · Physics 2016-08-31 Upendra Harbola , Shankar P. Das

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

The predictions of the mode-coupling theory of the glass transition (MCT) for the tagged-particle density-correlation functions and the mean-squared displacement curves are compared quantitatively and in detail to results from Newtonian-…

Statistical Mechanics · Physics 2009-11-10 Th. Voigtmann , A. M. Puertas , M. Fuchs

The mode-coupling theory (MCT) of the glass transition ranks among the most successful first-principles kinetic theories to describe glassy dynamics. However, MCT does not fully account for crucial aspects of the dynamics near the glass…

Soft Condensed Matter · Physics 2024-08-22 Ilian Pihlajamaa , Liesbeth M. C. Janssen

A simple model of dimerizing hard spheres with highly nontrivial fluid-solid phase behaviour is proposed. The model is studied using the recently proposed resummed thermodynamic perturbation theory for central force (RTPT-CF) associating…

Soft Condensed Matter · Physics 2016-07-26 Yurij V. Kalyuzhnyi , Peter T. Cummings

We report the results of a large scale computer simulation of a binary supercooled Lennard-Jones liquid. We find that at low temperatures the curves for the mean squared displacement of a tagged particle for different temperatures fall onto…

Condensed Matter · Physics 2016-08-31 Walter Kob , Hans C. Andersen

Complementary Neutron Spin Echo and X-ray experiments and Molecular Dynamics simulations have been performed on difluorotetrachloroethane (CFCl2-CFCl2) glassy crystal. Static, single-molecule reorientational dynamics and collective dynamics…

Soft Condensed Matter · Physics 2009-11-11 F. Affouard , E. Cochin , F. Danède , R. Decressain , M. Descamps , W. Haeussler

Generalized mode-coupling theory (GMCT) constitutes a systematically correctable, first-principles theory to study the dynamics of supercooled liquids and the glass transition. It is a hierarchical framework that, through the incorporation…

Statistical Mechanics · Physics 2021-02-03 Chengjie Luo , Liesbeth M. C. Janssen

The superadiabatic dynamical density functional theory (superadiabatic-DDFT) is a promising new method for the study of colloidal systems out-of-equilibrium. Within this approach the viscous forces arising from interparticle interactions…

Soft Condensed Matter · Physics 2024-06-10 S. M. Tschopp , J. M. Brader