Related papers: Stacking Characteristics of Close Packed Materials
We consider a one-dimensional chain of coupled oscillators in contact at both ends with heat baths at different temperatures, and subject to an external force at one end. The Hamiltonian dynamics in the bulk is perturbed by random exchanges…
The hydrogen phase diagram has a number of unusual features which are generally well reproduced by density functional calculations. Unfortunately, these calculations fail to provide good physical insights into why those features occur. In…
The structural properties of confined single-file hard-disk fluids are studied analytically by means of a mapping of the original system onto a one-dimensional mixture of non-additive hard rods, the mapping being exact in the polydisperse…
Traditionally the effects of MHD instabilities and micro-instabilities on plasma confinement are investigated separately. However, these two instabilities often occur simultaneously, with the overlap of the dynamics on a broad range of…
Orthogonality of eigenstates of different energies and its implications in potential scattering are unlabeled. Scalar products of scattering states of different energies are found to have finite non-orthogonal terms in potentials of finite…
Interaction between hydrogen (H) and metals is central to many materials problems of scientific and technological importance. Chief among them is the development of H storage and H-resistant materials. H segregation or trapping at lattice…
I discuss the analytic structure of thermodynamic quantities for complex values of thermodynamic variables within Landau theory. In particular, the singularities connected with phase transitions of second order, first order and cross over…
Stackability for finitely presented groups consists of a dynamical system that iteratively moves paths into a maximal tree in the Cayley graph. Combining with formal language theoretic restrictions yields auto- or algorithmic stackability,…
Deterministic control of the layering configuration of two-dimensional quantum materials plays a central role in studying their emergent electronic properties. Here we demonstrate in-situ control over competing stacking configurations in…
The thermodynamic formalism expresses chaotic properties of dynamical systems in terms of the Ruelle pressure $\psi(\beta)$. The inverse-temperature like variable $\beta$ allows one to scan the structure of the probability distribution in…
Molecular dynamic simulations for systems with $D=2,3$ Lennard-Jones-like interactions are studied. In the model, we assume that, at long distances, the two-body attractive potential decays as $r^{-\alpha}$. Thermodynamic extensivity…
The eigenstate thermalization hypothesis provides a framework for understanding thermalization in isolated quantum many-body systems by characterizing statistical properties of local observables in energy eigenstates. Here we demonstrate…
Understanding the nanoscale effects controlling the dynamics of a contact line -- defined as the line formed at the junction of two fluid phases and a solid -- has been a longstanding problem in fluid mechanics pushing experimental and…
The non-equilibrium statistical mechanics and kinetic theory for a model of a confined quasi-two-dimensional gas of inelastic hard spheres is presented. The dynamics of the particles includes an effective mechanism to transfer the energy…
We present a simple analytical model for the determination of the stable phases of strained heteroepitaxial systems in (1+1) dimensions. In order for this model to be consistent with a subsequent dynamic treatment, all expressions are…
The pattern of isentropes in the vicinity of a first-order phase transition is proposed as a key for a sub-classification. While the confinement--deconfinement transition, conjectured to set in beyond a critical end point in the QCD phase…
Cold-atom experiments which measure Fermi-gas properties near unitarity confine fermionic atoms to a region of space using trapping potentials of various shapes. The presence of a trapping potential introduces a new characteristic physical…
We demonstrate theoretically that the characteristic feature of a 2D system undergoing $N$ consequent Lifshitz topological transitions is the occurrence of spikes of entropy per particle $s$ of a magnitude $\pm \ln 2/(J-1/2)$ with $2 \leq J…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density…