Barrier-Controlled Non-Equilibrium Criticality in Reactive Particle Systems

Mean-field dynamic criticality and geometric transition in the Gaussian core model

We use molecular dynamics simulations to investigate dynamic heterogeneities and the potential energy landscape of the Gaussian core model (GCM). Despite the nearly Gaussian statistics of particles' displacements, the GCM exhibits giant dynamic heterogeneities close to the dynamic transition temperature. The divergence of the four-point susceptibility is quantitatively well described by the inhomogeneous version of the Mode-Coupling theory. Furthermore, the potential energy landscape of the GCM is characterized by a geometric transition and large energy barriers, as expected from the lack of a…

Efficient sampling of reversible cross-linking polymers: Self-assembly of single-chain polymeric nanoparticles

We present a new simulation technique to study systems of polymers functionalized by reactive sites that bind/unbind forming reversible linkages. Functionalized polymers feature self-assembly and responsive properties that are unmatched by systems lacking selective interactions. The scales at which the functional properties of these materials emerge are difficult to model, especially in the reversible regime where such properties result from many binding/unbinding events. This difficulty is related to large entropic barriers associated with the formation of intra-molecular loops. In this work …

粘弹性浴中胶体粒子跨越势垒的过渡路径时间

Transition path time over a barrier of a colloidal particle in a viscoelastic bath

本研究通过实验探究亚微米微珠在粘弹性流体中跨越光镊构建势垒的过渡路径时间，验证了其与广义朗之万方程理论的一致性，发现平均过渡路径时间的降低可由反应模式频率下的有效粘度描述，揭示了非马尔可夫浴中热激活逃逸的线性响应特性。

Fluids with quenched disorder: Scaling of the free energy barrier near critical points

In the context of Monte Carlo simulations, the analysis of the probability distribution $P_L(m)$ of the order parameter $m$, as obtained in simulation boxes of finite linear extension $L$, allows for an easy estimation of the location of the critical point and the critical exponents. For Ising-like systems without quenched disorder, $P_L(m)$ becomes scale invariant at the critical point, where it assumes a characteristic bimodal shape featuring two overlapping peaks. In particular, the ratio between the value of $P_L(m)$ at the peaks ($P_{L, max}$) and the value at the minimum in-between ($P_{…

Impact of surface roughness on liquid-liquid transition

Liquid-liquid transition (LLT) in single-component liquids is one of the most mysterious phenomena in condensed matter. So far this problem has attracted attention mainly from the purely scientific viewpoint. Here we report the first experimental study on an impact of surface nano-structuring on LLT by using a surface treatment called rubbing, which is the key technology for the production of liquid crystal displays. We find that such a rubbing treatment has a significant impact on the kinetics of liquid-liquid transition (LLT) of an isotropic molecular liquid, triphenyl phosphite. For a liqui…