Classical dynamical density functional theory: from fundamentals to applications
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern
statistical mechanics. It is an extension of the highly successful method of classical density …
statistical mechanics. It is an extension of the highly successful method of classical density …
Topology Matters: Conformation and Microscopic Dynamics of Ring Polymers
M Kruteva, J Allgaier, D Richter - Macromolecules, 2023 - ACS Publications
Ring polymers have fascinated theorists, simulators, and experimentalists as they are the
simplest polymer without ends, giving rise to important topology related properties. We …
simplest polymer without ends, giving rise to important topology related properties. We …
Structural relaxation and vitrification in dense cross-linked polymer networks: simulation, theory, and experiment
We present a coordinated experimental, simulation, and theoretical study of how polymer
network permanent cross-links impact the segmental relaxation time over a wide range of …
network permanent cross-links impact the segmental relaxation time over a wide range of …
Glasses and aging, A statistical mechanics perspective on
We start with a few concise definitions of the most important concepts discussed in this entry.
Glass transition For molecular liquids, the glass transition denotes a crossover from a …
Glass transition For molecular liquids, the glass transition denotes a crossover from a …
Theory of pressure-induced rejuvenation and strain hardening in metallic glasses
We theoretically investigate high-pressure effects on the atomic dynamics of metallic
glasses. The theory predicts compression-induced rejuvenation and the resulting strain …
glasses. The theory predicts compression-induced rejuvenation and the resulting strain …
Theory of spatial gradients of relaxation, vitrification temperature and fragility of glass-forming polymer liquids near solid substrates
We employ a new force-level statistical mechanical theory to predict spatial gradients of the
structural relaxation time and T g of polymer liquids near microscopically rough and smooth …
structural relaxation time and T g of polymer liquids near microscopically rough and smooth …
Activated penetrant dynamics in glass forming liquids: size effects, decoupling, slaving, collective elasticity and correlation with matrix compressibility
We employ the microscopic self-consistent cooperative hop** theory of penetrant
activated dynamics in glass forming viscous liquids and colloidal suspensions to address …
activated dynamics in glass forming viscous liquids and colloidal suspensions to address …
Elastically collective nonlinear Langevin equation theory of glass-forming liquids: Transient localization, thermodynamic map**, and cooperativity
We analyze multiple new issues concerning activated relaxation in glassy hard sphere fluids
and molecular and polymer liquids based on the elastically collective nonlinear Langevin …
and molecular and polymer liquids based on the elastically collective nonlinear Langevin …
Microscopic theory of long-time center-of-mass self-diffusion and anomalous transport in ring polymer liquids
We construct a microscopic theory at the level of segment-scale correlated space–time
intermolecular forces for the long-time center-of-mass (CM) diffusion constant and …
intermolecular forces for the long-time center-of-mass (CM) diffusion constant and …
Self-consistent hop** theory of activated relaxation and diffusion of dilute penetrants in dense crosslinked polymer networks
We generalize a microscopic statistical mechanical theory of the activated dynamics of dilute
spherical penetrants in glass-forming liquids to study the influence of crosslinking in polymer …
spherical penetrants in glass-forming liquids to study the influence of crosslinking in polymer …