A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transfo...

We employ a mesoscopic model for studying aggregation processes of proteinlike hydrophobic-polar heteropolymers. By means of multicanonical Monte Carlo computer simulations, we find strong indications that peptide aggregation is a phase separation process, in which the microcanonical entropy exhibits a convex intruder due to non-negligible surface effects of the small systems. We analyze thermo...

This work consists of the adaptation of a non-additive hard sphere theory inspired by Malakhov and Volkov [Polym. Sci., Ser. A 49(6), 745-756 (2007)] to a square-well chain. Using the thermodynamic perturbation theory, an additional term is proposed that describes the effect of perturbing the chain of square well spheres by a non-additive parameter. In order to validate this development, NPT Mo...

Abstract Using thermodynamic perturbation theory, we derive a simple formalism for treating intrinsic anharmonic effects in solids. In this formalism, the central quantity is the intrinsic anharmonicity parameter a, which can be derived from vibrational spectroscopy or computer simulation. Advantages of our approach include (1) correct lowand high-temperature behaviour, (2) analyticity of all t...

A theory for noise-driven subcritical instabilities in spatially extended systems is put forward. The theory allows one to calculate the critical bifurcation parameter for a first-order phase transition in such non-equilibrium systems in the thermodynamic limit and analyse the mechanism of phase transition. Two examples with distinctive features are studied in detail to demonstrate the usefulne...

Influence of Aluminum, Gallium, Indium- Doping on the Boron-Nitride Nanotubes (BNNTs) investigated with density functional theory (DFT) and Hartreefock (HF) methods. For this purpose, the chemical shift of difference atomic nucleus was studied using the gauge included atomic orbital (GIAO) approch. In the following, structural parameter values, electrostatic potential, thermodynamic parameters,...

Using the replica-symmetric mean-field theory approach the thermodynamic and retrieval properties of extremely diluted symmetric Q-Ising neural networks are studied. In particular, capacity-gain parameter and capacity-temperature phase diagrams are derived for Q = 3, 4 and Q = ∞. The zero-temperature results are compared with those obtained from a study of the dynamics of the model. Furthermore...

We show that the density of states and the thermodynamic properties of a two-dimensional d-wave superconductor in the vortex state with applied magnetic field H in the plane depend on the angle between H and the order-parameter nodes. Within a semiclassical treatment of the extended quasiparticle states, we obtain fourfold oscillations of the specific heat, measurement of which provides a simpl...

We calculate the thermodynamic functions of a hot gluon plasma to leading order in hard-thermal-loop (HTL) perturbation theory. Effects associated with screening, gluon quasiparticles, and Landau damping are resummed to all orders. The ultraviolet divergences generated by the HTL propagator corrections can be cancelled by a counterterm that depends on the thermal gluon mass parameter. The HTL t...