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Limestone in volcanic basements has been identified as a hazard in terms of edifice stability due to the propensity of calcite to decompose into lime and CO2 at high temperatures (>600 °C), causing a decrease in mechanical strength. To date, such hypoth ...
The present investigation is concerned with wave propagation in micropolar thermoelastic solid half space with distinct conductive and thermodynamic temperatures. Reflection of plane waves incident obliquely at the free surface of micropolar generalized th ...
From cosmology to the microscopic scales of the quantum world, the study of topological excitations is essential for the understanding of phase conformation and phase transitions. Quantum fluids are convenient systems to investigate topological entities be ...
Continuum solvation methods can provide an accurate and inexpensive embedding of quantum simulations in liquid or complex dielectric environments. Notwithstanding a long history and manifold applications to isolated systems in open boundary conditions, the ...
We develop a numerical procedure to efficiently model the nonequilibrium steady state of one-dimensional arrays of open quantum systems based on a matrix-product operator ansatz for the density matrix. The procedure searches for the null eigenvalue of the ...
We investigate quantum interference in the transport properties of porphyrin-based molecular devices, and are able to develop a minimal but qualitatively accurate model of conductance based on the maximally localized Wannier functions of just the isolated ...
We study the phase diagram of an effective ion model of fully ionized hydrogen at ultra-high pressure. We assume that the protons interact with a screened Coulomb potential derived from a static linear response theory. This model accurately reproduces the ...
We consider an elastic chain at thermodynamic equilibrium with a heat bath, and derive an approximation to the probability density function, or pdf, governing the relative location and orientation of the two ends of the chain. Our motivation is to exploit ...
The Second Law of thermodynamics is known to be an essential guide for the improvement of energy conversion systems. Throughout the years it has been applied to various engineering methods in particular in methods based on exergy [1] including the 2nd Law, ...
The ruthenium-based complex [Ru(eta(6)-p-phenylethacrynate)Cl-2(pta)] (pta = 1,3,5-triaza-7-phosphatricyclo-[3.3.1.1]decane), termed ethaRAPTA, is an interesting antitumor compound. The elucidation of the molecular mechanism of drug activity is central to ...
