Related papers: Disordered Crystals from First Principles I: Quant…
Symmetry plays a crucial role in shaping the theories of fundamental forces. For example, general covariance -- the equivalence of all possible coordinate systems of spacetime -- dictates the law of gravity. Here, we extend this concept to…
In this work, we present an atomistic first-principles framework for modeling the low-temperature electronic and transport properties of disordered two-dimensional (2D) materials with randomly distributed point defects (impurities). The…
We discuss the nature of pressure induced phase transitions in standard Quantum Paraelectrics near quantum critical point. From a microscopic theory we first show that near the critical point the transition temperature $T_c(p)$ varies as $…
Spin qubits associated with color centers are promising platforms for various quantum technologies. However, to be deployed in robust quantum devices, the variations of their intrinsic properties with the external conditions, and in…
Investigation of states with a periodic time dependence of physical quantities attracts a considerable interest now. Although it has been proposed initially that such states (coined Quantum Time Crystals) might be macroscopic and…
Magnetic materials are typically described in terms of the Heisenberg model, which provides an accurate account of thermodynamic properties when combined with first principles calculations. This approach is usually based on an energy…
We present the detailed study of the thermodynamics of vibrational modes in disordered elastic systems such as the Bragg glass phase of lattices pinned by quenched impurities. Our study and our results are valid within the (mean field)…
The dynamics at the critical-point of a general first-order quantum phase transition in a finite system is examined, from an algebraic perspective. Suitable Hamiltonians are constructed whose spectra exhibit coexistence of states…
We conduct a rigorous investigation into the thermodynamic instability of ideal Bose gas confined in a cubic box, without assuming thermodynamic limit nor continuous approximation. Based on the exact expression of canonical partition…
A first-principles method is presented to calculate elastic constants up to the fourth order of crystals with the cubic and hexagonal symmetries. The method relies on the numerical differentiation of the second Piola-Kirchhoff stress tensor…
We revisit the phase structure and thermodynamics of QCD in the low temperature and high density region, where a strong, first-order phase transition is expected beyond the critical end point. By solving the quark gap equation in the…
We perform stringent tests of thermodynamic theories of the glass transition over the experimentally relevant temperature regime for several simulated glass-formers. The swap Monte Carlo algorithm is used to estimate the configurational…
Many of the large structures of the cell, such as the cytoskeleton, are assembled and maintained far from equilibrium. We study the stabilities of various structures for a simple model of such a far-from-equilibrium organized assembly in…
In this combined experimental and simulation study, we utilize bond-order topology to quantitatively match particle volume fraction in mechanically uniformly compressed colloidal suspensions with temperature in atomistic simulations. The…
In glass-forming liquids, structural dynamics are governed by configurational entropy and temperature, with dielectric relaxation time scaling alongside structural relaxation time as described by the Adam-Gibbs (AG) model. Under Edwards's…
We discuss some recent results connected with the properties of temperature states of quantum disordered systems. This analysis falls within the natural framework of operator algebras. Among the results quoted here, we recall some ergodic…
In this document, we aim to gather various results related to a compositional/categorical approach to rigorous Statistical Mechanics. Rigorous Statistical Mechanics is centered on the mathematical study of statistical systems. Central…
The athermal quasistatic (AQS) method is a powerful technique to study the mechanical behavior of disordered systems. However, its applicability is limited to temperatures near zero, where thermal activation is unlikely. In this work, we…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
We formulate a canonical quantization of Equilibrium Thermodynamics by applying Dirac's theory of constrained systems. Thermodynamic variables are treated as conjugate pairs of coordinates and momenta, allowing extensive and intensive…