相关论文: Phase diagram of silica from computer simulation
Two-level atoms interacting with a one mode cavity field at zero temperature have order parameters which reflect the presence of a quantum phase transition at a critical value of the atom-cavity coupling strength. Two popular examples are…
Remaining within the pure hydrodynamic approach, we formulate a self-consistent model for simulating the dynamic behavior of matter passing through metastable states in the two-phase liquid-vapor region of the phase diagram. The model is…
Review paper on computer simulations of the dynamics of supercooled silica.
Accurate phase diagram calculation from molecular dynamics requires systematic treatment and convergence of statistical averages. In this work we propose a Gaussian process regression based framework for reconstructing the free energy…
The hard-sphere potential has become a cornerstone in the study of both molecular and complex fluids. Despite its mathematical simplicity, its implementation in fixed time-step molecular simulations remains a formidable challenge due to the…
Phase diagrams of binary mixtures of oppositely charged colloids are calculated theoretically. The proposed mean-field-like formalism interpolates between the limits of a hard-sphere system at high temperatures and the colloidal crystals…
A new version of GBS (Ricci et al. Plasma Phys. Control. Fusion 54, 124047, 2012; Halpern et al. J. Comput. Phys. 315, 388-408, 2016; Paruta et al. Phys. Plasmas 25, 112301, 2018) is described. GBS is a three-dimensional, flux-driven,…
Phase-space methods allow one to go beyond the mean-field approximation to simulate the quantum dynamics of interacting fields. Here, we obtain a technique for initializing either Wigner or positive-P phase-space simulations of…
The multidimensional topography of the collective potential energy function of a so-called strong glass former (silica) is analyzed by means of classical molecular dynamics calculations. Features qualitatively similar to those of fragile…
We study the complex Sachdev-Ye-Kitaev (cSYK) numerically and investigate thermodynamic behavior of cSYK model across varying chemical potentials. We discover that the cSYK model remarkably mirrors the first-order phase transition seen in…
We experimentally study the infinite-size limit of the Dicke model of quantum optics with a parity-breaking deformation strength that couples the system to an external bosonic reservoir. We focus on the dynamical consequences of such…
The solid-liquid interface free energy \gamma sl is a key parameter controlling nucleation and growth during solidification and other phenomena. There are intrinsic difficulties in obtaining accurate experimental values, and the previous…
Predictions for the chemical potential and the excitation gap recently obtained by our diagrammatic theory for the BCS-BEC crossover in the superfluid phase are compared with novel Quantum Monte Carlo results at zero temperature now…
The evaluation of phase stabilities of unstable elemental phases is a long-standing problem in the computational assessment of phase diagrams. Here we tackle this problem by explicitly calculating phase diagrams of intermetallic systems…
We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen…
We compute the phase diagram of the one-dimensional Bose-Hubbard model with a quasi-periodic potential by means of the density-matrix renormalization group technique. This model describes the physics of cold atoms loaded in an optical…
Atomistic non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression of quartz have been performed using the so-called BKS semi-empirical potential of van Beest, Kramer and van Santen to construct the Hugoniot of…
A general procedure is established to calculate the quantum phase diagrams for finite matter-field Hamiltonian models. The minimum energy surface associated to the different symmetries of the model is calculated as a function of the…
In this paper we study the phase diagram of a Sherrington-Kirkpatrick (SK) model where the couplings are forced to thermalize at different time scales. Besides being a challenging generalization of the SK model, such settings may arise…
Silicon carbide (SiC) is an important technological material, but its high-temperature phase diagram has remained unclear due to conflicting experimental results about congruent versus incongruent melting. Here, we employ large-scale…