Related papers: Prediction of Nonlinear Specific Heat During Singl…
The Berezinskii-Kosterlitz-Thouless (BKT) transition is expected to have a clear signature on the specific heat. The singularity at the transition temperature $T_{BKT}$ is predicted to be immeasurable, and a broad non-universal peak is…
The closely related Green-Kubo and Helfand moment approaches are applied to obtain the thermal conductivity tensor of $\beta$-1,3,5,7-tetranitro-1,3,5,7-tetrazoctane ($\beta$-HMX) at $T=300$ K and $P=1$ atm from equilibrium molecular…
An extension to a high-order model for the direct isotropic/smectic-A liquid crystalline phase transition was derived to take into account thermal effects including anisotropic thermal diffusion and latent heat of phase-ordering.…
We show that the conductance $G$ of molecular tunnel junctions wherein the charge transport is dominated by a single energy level can be expressed in closed analytic form which is exact and valid at arbitrary temperature $T$ and model…
With the effective chiral model, the finite temperature properties of nuclear matter have been studied at different temperatures. For symmetric nuclear matter, I particularly focused on the possibility of liquid-gas phase transition at low…
We present an interpolation method for the specific heat $c_v(T)$, when there is a phase transition with a logarithmic singularity in $c_v$ at a critical temperature $T=T_c$. The method uses the fact that $c_v$ is constrained both by its…
We present a simple unifying model for crystallization and melting temperatures by showing that homogeneous nucleation and phase transformations driven by thickening of pre-existing surface layers are limiting conditions of the more general…
In this work we investigate the transient solidification of a Lennard-Jones liquid using non-equilibrium molecular dynamics simulations and continuum heat transfer theory. The simulations are performed in slab-shaped boxes, where a cold…
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…
Thermal models have proven to be an useful and simple tool used to make theoretical predictions and data analysis in relativistic and ultra-relativistic heavy ion collisions. A new version of these models is presented here, incorporating a…
The prediction of transition temperatures can be regarded in several ways, either as an exacting test of theory, or as a tool for identifying theoretical rules for defining new homology models. Popular "first principle" methods for…
We develop a transferable machine learning model which predicts structural relaxation from amorphous supercooled liquid structures. The trained networks are able to predict dynamic heterogeneity across a broad range of temperatures and time…
Phase transitions are fundamental in nature. A small parameter change near a critical point leads to a qualitative change in system properties. Across a regular phase transition, the system remains in thermal equilibrium and, therefore,…
Melting kinetics of polycrystalline materials is analyzed on the basis of a new model which explicitly couples homogeneous and heterogeneous melting mechanisms. The distinct feature of this approach lies in its ability to evaluate not only…
Using a differential technique, we have measured the specific heats of polycrystalline Ba1-xKxFe2As2 samples with x=0, 0.1 and 0.3, between 2K and 380K and in magnetic fields 0 to 13 Tesla. From this data we have determined the electronic…
We present detailed heat capacity measurements for Ba(Fe(1-x)Cox)2As2 and Ba(Fe(1-x)Nix)2As2 single crystals in the vicinity of the superconducting transitions. The specific heat jump at the superconducting transition temperature (Tc),…
For models which exhibit a continuous phase transition in the thermodynamic limit a numerical study of small systems reveals a non-monotonic behaviour of the microcanonical specific heat as a function of the system size. This is in contrast…
Predicting solid-solid phase transitions remains a long-standing challenge in materials science. Solid-solid transformations underpin a wide range of functional properties critical to energy conversion, information storage, and thermal…
We develop a one-dimensional mathematical model for the loading process of hydrogen in a metal hydride tank. The model describes the evolution of the density and pressure of the hydrogen gas, the temperature of the tank, the averaged…
Elastic neutron-scattering, inelastic x-ray scattering, specific-heat, and pressure-dependent electrical transport measurements have been made on single crystals of AuZn and Au_{0.52}Zn_{0.48} above and below their martensitic transition…