Related papers: Negative thermal expansion in single-component sys…
Small thermodynamic systems exhibit peculiar behavior different from that observed in long-scale systems. Non-equilibrium processes taking place in those systems are strongly influenced by the presence of fluctuations which can be large.…
We study the low-temperature thermodynamics of a spin-S magnetic impurity coupled to m degenerate bands of interacting electrons in one dimension. By exploiting boundary conformal field theory techniques, we derive exact results for the…
The phase diagram of the prototypical two-dimensional Lennard-Jones system, while extensively investigated, is still debated. In particular, there are controversial results in the literature as concern the existence of the hexatic phase and…
Thermal equilibrium states of local quantum many-body systems are notorious for their spatially decaying correlations, which place severe restrictions on the types of many-body entanglement structures that may be observed at finite…
We investigate the effect of thermal fluctuations on the critical stress and the micro-structure of damage preceding macroscopic fracture of Lennard-Jones solids under a constant external load. Based on molecular dynamics simulations of…
While near-zero thermal expansion (NZTE) in YbGaGe is sensitive to stoichiometry and defect concentration, the NZTE mechanism remains elusive. We present x-ray absorption spectra that show unequivocally that Yb is nearly divalent in YbGaGe…
We study mutual information for Renyi entropy of arbitrary index n, in interacting quantum systems at finite-temperature critical points, using high-temperature expansion, quantum Monte Carlo simulations and scaling theory. We find that for…
At non-zero temperature and when a system has low-lying excited electronic states, the ground-state Born--Oppenheimer approximation breaks down and the low-lying electronic states are involved in any chemical process. In this work, we use a…
We consider the thermodynamic behavior of a disordered interacting electron system in two dimensions. We show that the corrections to the thermodynamic potential in the weakly localized regime give rise to a non monotonic behavior of the…
Athermal (i.e. zero-temperature) under-constrained systems are typically floppy, but they can be rigidified by the application of external strain. Following our recently developed analytical theory for the athermal limit, here and in the…
We investigate the feasibility of four-connected nets as hypothetical zinc cyanide polymorphs, as well as their thermal and mechanical properties, through quantum chemical calculations and molecular dynamics simulations. We confirm the…
Tungsten ditelluride (WTe$_2$) exhibits extremely large and unsaturated magnetoresistance (MR). Due to the large spatially extensions of Te-5p and W-5d orbitals, the electronic properties of WTe$_2$ are sensitive to the lattice structures,…
We study, through molecular dynamics, a conservative two-dimensional Lennard-Jones-like gas (with attractive potential $\propto r^{-\alpha}$). We consider the effect of the range index $\alpha$ of interactions, number of particles, total…
We study numerically the thermodynamic properties of the spin nematic phases in a magnetic field in the spin-1 bilinear-biquadratic model. When the field is applied, the phase transition temperature once goes up and then decreases rapidly…
We identify conditions for the presence of negative specific heat in non-relativistic self-gravitating systems and similar systems of attracting particles. The method used, is to analyse the Virial theorem and two soluble models of systems…
In this study, we innovatively modeled photon-enhanced thermionic emission (PETE) devices, incorporating positive ion injection and bidirectional discharge's effects on the space charge barrier simultaneously. Compared to previous models,…
Magnetic anisotropies have key role to taylor magnetic behavior in ferromagnetic systems. Further, they are also essential elements to manipulate the thermoelectric response in Anomalous Nernst (ANE) and Longitudinal Spin Seebeck systems…
The effect of interface scattering on the performance of disordered, nanocomposite thermoelectric materials is studied theoretically using effective medium theory and direct numerics. The interfacial electronic and phonon scattering…
Effective interactions that violate Newton's third law of action-reaction symmetry are common in systems where interactions are mediated by a non-equilibrium environment. Extensive Monte Carlo simulations are carried out on a…
We consider the non-relativistic Hartree model in the gravitational case, i.e. with attractive Coulomb-Newton interaction. For a given mass, we construct stationary states with non-zero temperature by minimizing the corresponding free…