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Nine of the known vanadium oxides, VO$_{2-1/n}$ (n - a positive or negative integer) with n=2 - 6, 8, 9, $\infty$ and -6, undergo metal-insulator transitions accompanied by structural transitions, at various temperatures T$_{MIT}$…
Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the…
We develop the argument that the Gibbs-von Neumann entropy is the appropriate statistical mechanical generalisation of the thermodynamic entropy, for macroscopic and microscopic systems, whether in thermal equilibrium or not, as a…
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 have recently developed a breakthrough methodology for rapidly computing entropy in both solids and liquids by integrating a multiscale entropy approach (known as zentropy theory) with molecular dynamics (MD) simulations. This approach…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
Lithium niobate-tantalate mixtures have garnered considerable interest for their ability to merge the desirable properties of both end members, enabling diverse high-value applications, such as high-performance faradaic capacitors,…
The mode-coupling theory of the glass transition predicts the time evolution of the intermediate scattering functions in viscous liquids on the sole basis of the structural information encoded in two-point density correlations. We provide a…
Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…
We compute the transport properties of one dimensional interacting electrons, also known as a Luttinger liquid. We show that a renormalization group study allows to obtain the temperature dependence of the conductivity in an intermediate…
Mode coupling theory (MCT) has been successful in explaining the observed sequence of time relaxations in dense fluids. Previous expositions of this theory showing this sequence have required the existence of an ideal glass transition…
This is the continuation of cond-mat/0505084. Elementary formulas are derived for the flow of entropy through a circuit junction in a near-critical quantum circuit, based on the structure of the energy-momentum tensor at the junction. The…
Quantum effects in material systems are often pronounced at low energies and become insignificant at high temperatures. We find that, perhaps counterintuitively, certain quantum effects may follow the opposite route and become sharp when…
Structural relaxation times and viscosities for non-associated liquids and polymers are a unique function of the product of temperature, T, times specific volume, V, with the latter raised to a constant, g_tau. Similarly, for both neat…
In the present paper, the onset of thermal convection in a uniformly rotating Darcy-Brinkman porous medium saturated by a variable viscosity fluid is investigated and the competing interplay between rotation and temperature-dependent…
We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are…
We present results of a simulation study of inelastic hard-disks vibrated in a vertical container. An Event-Driven Molecular Dynamics method is developed for studying the onset of convection. Varying the relevant parameters (inelasticity,…
Building on a general variational framework for multi-fluid dynamics, we discuss finite temperature effects in superfluids. The main aim is to provide insight into the modelling of more complex finite temperature superfluid systems, like…
We present mode-coupling equations for the description of the slow dynamics observed in supercooled molecular liquids close to the glass transition. The mode-coupling theory (MCT) originally formulated to study the slow relaxation in simple…
In Ref. [1] the statistical structure of the turbulent cascade in the context of non-additive entropy was considered. Here we suggest that the vortex line ensemble in the Vinen quantum turbulence in superfluids is described by the…