相关论文: Intermolecular Forces and the Glass Transition

An analytical framework is proposed to describe the elasticity, viscosity and fragility of metallic glasses in relation to their atomic-level structure and the effective interatomic interaction. The bottom-up approach starts with forming an…

We present results of molecular dynamics (MD) simulations for a non-entangled polymer melt confined between two completely smooth and repulsive walls, interacting with inner particles via the potential $U_{\rm wall}\myeq (\sigma/z)^9$,…

We study the superconducting transition temperature and the electronic properties of the metallic phase of $\kappa$-type (BEDT-TTF)$_2$X which shows unconventional properties in experiments, on the basis of the third order perturbation…

We simulate dynamic mechanical analysis experiments for the Kob-Andersen binary Lennard-Jones system. For this, the SLLOD algorithm with time-dependent strain rates is applied to give a sinusoidally varying strain at different densities and…

The number of compact structures of a single condensed polymer (SCP), with similar free energies, grows exponentially with the degree of polymerization. In analogy with structural glasses (SGs), we expect that at low temperatures chain…

The interplay of slow dynamics and thermodynamic features of dense liquids is studied by examinining how the glass transition changes depending on the presence or absence of Lennard-Jones-like attractions. Quite different thermodynamic…

We shall discuss magnetization and transport measurements in materials exhibiting a broad first-order transition. The phase transitions would be caused by varying magnetic field as well as by varying temperature, and we concentrate on…

We consider the Euclidean $D$-dimensional $-\lambda |\phi |^4+\eta |\phi |^6$ ($\lambda ,\eta >0 $) model with $d$ ($d\leq D$) compactified dimensions. Introducing temperature by means of the Ginzburg--Landau prescription in the mass term…

Semiclassical instanton theory is a form of quantum transition-state theory which can be applied to computing thermal reaction rates for complex molecular systems including quantum tunneling effects. There have been a number of attempts to…

We develop a series of approximations to calculate free energy of a polar liquid. We show that long range nature of dipole interactions between the molecules leads to para-electric state instability at low temperatures and to a second-order…

Inspired by the Kadanoff transformation in the standard renormalization group theory, we propose a temporal renormalization scheme. A Boltzmann factor that explicitly depends on the renormalized timescale is constructed, permitting…

As a guideline for experimental tests of the ideal glass transition (Random Pinning Glass Transition, RPGT) that shall be induced in a system by randomly pinning particles, we performed first-principle computations within the Hypernetted…

By the adoption of a quaternion orientational order parameter to describe solidification, the topological origins of the thermal transport properties of crystalline and non-crystalline solid states are considered herein. Global…

Recent advances in cooling techniques make now possible the experimental study of quantum phase transitions, which are transitions near absolute zero temperature accessed by varying a control parameter. A paradigmatic example is the…

Spin qubits associated with color centers are promising platforms for various quantum technologies. However, to be deployed in robust quantum devices, the variations of their intrinsic properties with the external conditions, and in…

Continuous quantum phase transitions are widely assumed and frequently observed in various systems of quantum particles or spins. Their characteristic trait involves scaling laws governing a second-order, gradual suppression of the order…

In molecular dynamics simulations of soft glass-formers interacting via repulsions, we find that the glass transition temperature, dynamical heterogeneity, and glass fragility reach their maxima at the same crossover pressure $P_d$. Our…

In this study, a recently introduced order parameter called the weighted coordination number (WCN) was used to investigate the liquid-liquid (LL) phase separation, indicating temperature-dependent coarsening of the LL interface as a…

A microcanonical first order transition, connecting a clustered to a homogeneous phase, is studied from both the thermodynamic and dynamical point of view for a N-body Hamiltonian system with infinite-range couplings. In the microcanonical…

The holographic dual of a finite-temperature gauge theory with a small number of flavours typically contains D-brane probes in a black hole background. We have recently shown that these systems undergo a first order phase transition…