We study the time evolution of a periodically driven quantummechanical system coupled to several reservoirs of free fermions at different temperatures. This is a paradigm of a cyclic thermodynamic process. We introduce the notion of a Floquet Liouvillean as the generator of the dynamics of the coupled system on an extended Hilbert space. We show that the time-periodic state which the state of t...

We study conditioned random-cluster measures with edge-parameter p and cluster-weighting factor q satisfying q ≥ 1. The conditioning corresponds to mixed boundary conditions for a spin model. Interfaces may be defined in the sense of Dobrushin, and these are proved to be ‘rigid’ in the thermodynamic limit, in three dimensions and for sufficiently large values of p. This implies the existence of...

This data article is related to the research paper entitled "senary refractory high-entropy alloy Cr x MoNbTaVW [1]". In this data article, the pseudo-binary Cr-MoNbTaVW phase diagram is presented to show the impact of Cr content to the senary Cr-MoNbTaVW alloy system; the sub-lattice site fractions are presented to show the disordered property of the Cr-MoNbTaVW BCC structures; the equilibrium...

Abstract. We study a one-parameter family of countably piecewise linear interval maps, which, although Markov, fail the ‘large image property’. This leads to conservative as well as dissipative behaviour for different maps in the family with respect to Lebesgue. We investigate the transition between these two types, and study the associated thermodynamic formalism, describing in detail the seco...

We use extensive computer simulations to probe local thermodynamic equilibrium (LTE) in a quintessential model fluid, the two-dimensional hard-disks system. We show that macroscopic LTE is a property much stronger than previously anticipated, even in the presence of important finite-size effects, revealing a remarkable bulk-boundary decoupling phenomenon in fluids out of equilibrium. This allow...

Recent studies show the Earth’s core may contain more magnesium (Mg) than previously thought, with perhaps up to 6 wt% in the early core and ∼1wt% still existing now. The Mg partitioning between liquid and solid iron (Fe) under the relevant conditions is needed, therefore, in order to establish whether the presence of magnesium will have an effect on core properties, particularly those of the i...

In drug discovery, protonation states and tautomerization are easily overlooked. Through a Merck-Rutgers collaboration, this paper re-examined the initial settings and preparations for the Thermodynamic Integration (TI) calculation in AMBER Free-Energy Workflows, demonstrating the value of careful consideration of ligand protonation and tautomer state. Finally, promising results comparing AMBER...

Bayesian inference is intractable for many interesting models, making deterministic algorithms for approximate inference highly desirable. Unlike stochastic methods, which are exact in the limit, the accuracy of these approaches cannot be reasonably judged. In this paper we show how low order perturbation corrections to an expectation-consistent (EC) approximation can provide the necessary tool...

Smart surfaces of biobased materials: IV. Dynamic surface effects in films of F-containing cellulose esters Ulrike Becker and Wolfgang Glasser Biobased Materials/Recycling Center, and Department of Wood Science and Forest Products Virginia Tech, Blacksburg, VA Abstract: Dynamic surface phenomena were examined in films of fluorine (F)-containing cellulose derivatives. The derivatives were either...