Related papers: Explaining the specific heat of liquids based on i…
Starting from a Huxley-type model for an agitated vibrational mode, we propose an embedding of standard active particle models in terms of two-temperature processes. One temperature refers to an ambient thermal bath, and the other…
Recent experiments and computer simulations show that supercooled liquids around the glass transition temperature are "dynamically heterogeneous" [1]. Such heterogeneity is expected from the random first order transition theory of the glass…
The recent development of the calculation of specific heat ($C$) of liquids and glasses by first-principles molecular dynamics (MD) simulations is reviewed. Liquid and glass states have common properties in that there is no periodicity and…
Frequency-dependence of specific heat in supercooled hard sphere liquid is computed using quantum mode-coupling theory (QMCT). Mode-coupling equations are solved using recently proposed perturbative method that allows to study relaxation in…
Liquid water exhibits several important anomalous properties in the vicinity of the melting temperature ($T_{\mathrm{m}}$) of ice Ih, including a higher density than ice and a density maximum at 4~$^{\circ}$C. Experimentally, an isotope…
The thermodynamic properties of strongly correlated system with binary type of disorder are investigated using the combination of the coherent potential approximation and dynamical mean-field theory. The specific heat has a peak at small…
Rayleigh-Taylor (RT) instability widely exists in nature and engineering fields. How to better understand the physical mechanism of RT instability is of great theoretical significance and practical value. At present, abundant results of RT…
A phenomenological criterion for the superfluid transition is proposed, which is similar to the Lindemann criterion for the crystal melting. Then we derive a new formula for the critical temperature, relating $T_{\lambda}$ to the mean…
We formulate a predictive theory at the level of forces of activated relaxation in hard sphere fluids and thermal liquids that covers in a unified manner the apparent Arrhenius, crossover and deeply supercooled regimes. The alpha relaxation…
Previously, it has been shown that the direct correlation function for a Lennard-Jones fluid could be modeled by a sum of that for hard-spheres, a mean-field tail and a simple linear correction in the core region constructed so as to…
A new microscopic formula for the viscosity of liquids and solids is derived rigorously from a first-principles (microscopically reversible) Hamiltonian for particle-bath atomistic motion. The derivation is done within the framework of…
We present an Instantaneous Normal Modes analysis of liquid HF aimed to clarify the origin of peculiar dynamical properties which are supposed to stem from the arrangement of molecules in linear hydrogen-bonded network. The present study…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in…
We formulate a thermodynamically consistent continuum theory for compressible, viscous, heat-conducting fluids in which the velocity entering the balance of mass is distinguished from the specific linear momentum entering the balances of…
We study thermodynamics of a heat-conducting ideal gas system. The study is based on i) the first law of thermodynamics from action formulation which expects heat-dependence of energy density and ii) the existence condition of a (local)…
We investigate the heat capacity of liquids through a theoretical approach based on a quasiparticle description. By interpreting the microscopic dynamics of particles in liquids in terms of quasiparticles, we suggest a simplified…
In molecular liquids such as water, time-delayed influences between microscopic or mesoscopic variables are typically probed using time-correlation functions, which are symmetric under detailed balance and therefore blind to dynamical…
Motivated by the very low diffusivity recently found in ab initio simulations of liquid water, we have studied its dependence with temperature, system size, and duration of the simulations. We use ab initio molecular dynamics (AIMD),…
A theory and mechanistic understanding of the thermal properties of solids under nanoscale confinement are currently missing. We develop a theoretical quantum confinement description of thin films which predicts a new physical law for the…