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The exciton dynamics in a molecular heterodimer is studied as a function of differences in excitation and reorganization energies, asymmetry in transition dipole moments and excited state lifetimes. The heterodimer is composed of two…

Chemical Physics · Physics 2015-06-03 V. Balevicius , A. Gelzinis , D. Abramavicius , T. Mancal , L. Valkunas

We study dynamic heterogeneities in a model glass-former whose overlap with a reference configuration is constrained to a fixed value. The system phase-separates into regions of small and large overlap, so that dynamical correlations remain…

Disordered Systems and Neural Networks · Physics 2012-07-19 C. Cammarota , A. Cavagna , I. Giardina , G. Gradenigo , T. S. Grigera , G. Parisi , P. Verrocchio

In this work we address the question of whether a low-density system composed of identical rough particles may reach hydrodynamic states (also called \textit{normal} states), even if energy is not conserved in particle collisions. As a way…

Soft Condensed Matter · Physics 2018-09-10 Francisco Vega Reyes , Andrés Santos , Gilberto M. Kremer

It is well known that the classical energetically consistent micropolar model has limits in simulating the frequency band structure of packed granular materials (see Merkel et al., 2011). It is here shown that if a standard continualization…

Soft Condensed Matter · Physics 2021-04-27 Andrea Bacigalupo , Luigi Gambarotta

We compare dynamical heterogeneities in equilibrated supercooled liquids and in the nonequilibrium glassy state within the framework of the random first order transition theory. Fluctuating mobility generation and transport in the glass are…

Statistical Mechanics · Physics 2014-01-21 Apiwat Wisitsorasak , Peter G. Wolynes

We study the relation between short-time vibrational modes and long-time relaxational dynamics in a kinetically constrained lattice gas with harmonic interactions between neighbouring particles. We find a correlation between the location of…

Statistical Mechanics · Physics 2014-03-14 Douglas J. Ashton , Juan P. Garrahan

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

We investigate the dynamics of alginate gels, an important class of biopolymer-based viscoelastic materials, by combining mechanical tests and non-conventional, time-resolved light scattering methods. Two relaxation modes are observed upon…

Soft Condensed Matter · Physics 2013-10-14 Domenico Larobina , Luca Cipelletti

The folding of a polypeptide is an example of the cooperative effects of the amino-acid residues. Of recent interest is how a secondary structure, such as a helix, spontaneously forms during the collapse of a peptide from an initial…

Soft Condensed Matter · Physics 2016-08-31 Josh P. Kemp , Jeff Z. Y. Chen

The long time dynamics of polymeric materials has been extensively studied in the past through various experimental techniques and computer simulations. While computer simulations typically treat generic, simplified models, experiments deal…

Soft Condensed Matter · Physics 2008-09-10 Vagelis A. Harmandaris , Kurt Kremer

We present Molecular Dynamics simulations of the thermal glass transition in a dense model polymer liquid. We performed a comparative study of both constant volume and constant pressure cooling of the polymer melt. Great emphasis was laid…

Statistical Mechanics · Physics 2009-10-30 C. Bennemann , W. Paul , K. Binder , B. Duenweg

We present experimental measurements of dynamical heterogeneities in a dense system of microgel spheres, sheared at different rates and at different packing fractions in a microfluidic channel, and visualized with high speed digital video…

Soft Condensed Matter · Physics 2015-03-19 K. N. Nordstrom , J. P. Gollub , D. J. Durian

Using molecular dynamics simulation, we study structural and dynamical heterogeneities at melting in two-dimensional one-component systems with 36000 particles. Between crystal and liquid we find intermediate hexatic states, where the…

Statistical Mechanics · Physics 2010-04-07 Hayato Shiba , Akira Onuki , Takeaki Araki

Mesoscopic structure of the periodically alternating layers of stretched homopolymer chains surrounded by perpendicularly oriented oligomeric tails is studied for the systems with both strong (ionic) and weak (hydrogen) interactions. We…

Soft Condensed Matter · Physics 2009-11-10 A. I. Olemskoi , I. Krakovsky , A. Savelyev

We consider the stochastic evolution of a (1 + 1)-dimensional polymer in the depinned regime. At equilibrium the system exhibits a double well structure: the polymer lies(essentially) either above or below the repulsive line. As a…

We examine the structural relaxation of glassy materials at finite temperatures, considering the effect of activated rearrangements and long-range elastic interactions. Our three-dimensional mesoscopic relaxation model shows how the…

Soft Condensed Matter · Physics 2023-12-20 Gieberth Rodriguez-Lopez , Kirsten Martens , Ezequiel E. Ferrero

We review the stability properties of several discretizations of the Helmholtz equation at large wavenumbers. For a model problem in a polygon, a complete $k$-explicit stability (including $k$-explicit stability of the continuous problem)…

Numerical Analysis · Mathematics 2015-03-31 Sofi Esterhazy , Jens Markus Melenk

Polymers near the glass transition temperature Tg often exhibit a breakdown of time-temperature-superposition (TTS), with chain relaxation times and viscosity exhibiting a weaker temperature dependence than segmental relaxation times. The…

Soft Condensed Matter · Physics 2024-03-05 Peijing Yue , David S. Simmons

The two-scale computational homogenization method is proposed for modelling of locally periodic fluid-saturated media subjected a to large deformation induced by quasistatic loading. The periodic heterogeneities are relevant to the…

Numerical Analysis · Mathematics 2022-02-11 Vladimír Lukeš , Eduard Rohan

A simple model of a vibrated granular monolayer is studied. It consists of inelastic hard spheres confined between two parallel hard plates separated a distance smaller than twice the diameter of the particles. Both walls are elastic and…

Statistical Mechanics · Physics 2019-12-20 P. Maynar , M. I. García de Soria , J. J. Brey
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