2,034 research outputs found
Criticality in Dynamic Arrest: Correspondence between Glasses and Traffic
Dynamic arrest is a general phenomenon across a wide range of dynamic
systems, but the universality of dynamic arrest phenomena remains unclear. We
relate the emergence of traffic jams in a simple traffic flow model to the
dynamic slow down in kinetically constrained models for glasses. In kinetically
constrained models, the formation of glass becomes a true (singular) phase
transition in the limit . Similarly, using the Nagel-Schreckenberg
model to simulate traffic flow, we show that the emergence of jammed traffic
acquires the signature of a sharp transition in the deterministic limit \pp\to
1, corresponding to overcautious driving. We identify a true dynamical
critical point marking the onset of coexistence between free flowing and jammed
traffic, and demonstrate its analogy to the kinetically constrained glass
models. We find diverging correlations analogous to those at a critical point
of thermodynamic phase transitions.Comment: 4 pages, 4 figure
Methods for estimating supersaturation in antisolvent crystallization systems
The mole fraction and activity coefficient-dependent (MFAD) supersaturation expression is the least-assumptive, practical choice for calculating supersaturation in solvent mixtures. This paper reviews the basic thermodynamic derivation of the supersaturation expression, revisits common simplifying assumptions, and discusses the shortcomings of those assumptions for the design of industrial crystallization processes. A step-by-step methodology for estimating the activity-dependent supersaturation is provided with focus on ternary systems. This method requires only solubility data and thermal property data from a single differential scanning calorimetry (DSC) experiment. Two case studies are presented, where common simplifications to the MFAD supersaturation expression are evaluated: (1) for various levels of supersaturation of L-asparagine monohydrate in water–isopropanol mixtures and (2) for the dynamic and steady-state mixed-suspension, mixed-product removal (MSMPR) crystallization of a proprietary API in water–ethanol–tetrahydrofuran solvent mixtures. When compared to the MFAD supersaturation estimation, it becomes clear that errors in excess of 190% may be introduced in the estimation of the crystallization driving force by making unnecessary simplifications to the supersaturation expression. These errors can result in additional parameter regression errors – sometimes by nearly an order of magnitude – for nucleation and growth kinetic parameters, limiting the accurate simulation of dynamic and steady-state crystallization systems
Shear-induced anisotropic decay of correlations in hard-sphere colloidal glasses
Spatial correlations of microscopic fluctuations are investigated via
real-space experiments and computer simulations of colloidal glasses under
steady shear. It is shown that while the distribution of one-particle
fluctuations is always isotropic regardless of the relative importance of shear
as compared to thermal fluctuations, their spatial correlations show a marked
sensitivity to the competition between shear-induced and thermally activated
relaxation. Correlations are isotropic in the thermally dominated regime, but
develop strong anisotropy as shear dominates the dynamics of microscopic
fluctuations. We discuss the relevance of this observation for a better
understanding of flow heterogeneity in sheared amorphous solids.Comment: 6 pages, 4 figure
Debye vs. Casimir: controlling the structure of charged nanoparticles deposited on a substrate
Fine-tuning the interactions between particles can allow one to steer their collective behaviour and structure.
A convenient way to achieve this is to use solvent criticality to control attraction, via critical Casimir
forces, and to control repulsion via the Debye screening of electrostatic interactions. Herein, we develop
a multiscale simulation framework and a method for controlled deposition of quantum dots to investigate
how these interactions affect the structure of charged nanoparticles deposited on a substrate, altogether
immersed in a binary liquid mixture intermixed with salt. We consider nanoparticles and substrates favouring
the same component of the mixture and find that the critical Casimir interactions between the nanoparticles
become drastically reduced at the substrate. In particular, the interactions can become a few kBT
weaker and their decay length a few orders of magnitude smaller than in the bulk. At off-critical compositions,
the decay length increases upon approaching criticality, as expected, but the interaction strength
decreases. With molecular dynamics simulations and experiments, we reveal that the nanoparticles can
self-assemble into crystalline clusters which form superstructures resembling cluster fluids and spinodal
morphology. The simulations additionally predict the formation of fractal-like nanoparticle gels and
bicontinuous phases. Our results demonstrate that charged nanoparticles in a salty binary liquid mixture
provide exciting opportunities to study the formation of complex structures experimentally and theoretically,
which may lead to applications in optoelectronics and photonics
Identification of key effects causing weak performance of allergen analysis in processed food matrices
The weaker performance of generally used analytical methods for allergen analysis in processed foods can be connected to protein denaturation. To understand the nature of protein denaturation processes, experimental but realistic model matrices (corn starch based mixture, hydrated dough, and heat treated cookies) were developed that contain a defined amount of milk, egg, soy, and wheat proteins individually or in combination. The protein subunit composition was investigated in every processing phase, i.e. after mixing, dough formation, and baking. SDS-PAGE measurements were carried out to monitor the protein distribution of sample food matrices in non-reducing and reducing gels. The results clearly show that the highly decreased protein solubility is caused by denaturation, aggregation, or complex formation, which are the most significant factors in poorer analytical performances. Solubility can only partly be improved with the application of reducing agents or surfactants, and the rate of improvement is depending on the proteins and the matrices
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