相关论文: A geometrical model for Mixed cyanide crystals

We address the question of why larger, high symmetry crystals are mostly weak, ductile and statistically sub-critical, while smaller crystals with the same symmetry are strong, brittle and super-critical. We link it to another question of…

The influence of alternating shear orientation and strain amplitude of cyclic loading on yielding in amorphous solids is investigated using molecular dynamics simulations. The model glass is represented via a binary mixture that was rapidly…

We perform intensive numerical simulations of the three-dimensional site-diluted Ising antiferromagnet in a magnetic field at high values of the external applied field. Even if data for small lattice sizes are compatible with second-order…

We suggest a new Bayesian analysis using disjunct M-R constraints for extracting probability measures for cold, dense matter equations of state. One of the key issues of such an analysis is the question of a deconfinement transition in…

Using computer simulations of an atomistic glass-forming liquid, we investigate the fluctuations of the overlap between a fluid configuration and a quenched reference system. We find that large fluctuations of the overlap develop as…

In this paper a spin-1 spin-glass model under the presence of a uniform crystal field is investigated. It is shown that the model presents both continuous and first-order phase transition separated by a tricritical point. The phase diagram…

The interplay of symmetry and quenched disorder leads to some of the most fundamentally interesting and technologically important properties of correlated materials. It also poses the most vexing of theoretical challenges. Nowhere is this…

In many important situations the dominant dephasing mechanism in cryogenic rare-earth-ion doped systems is due to magnetic field fluctuations from spins in the host crystal. Operating at a magnetic field where a transition has a zero…

The structural, electronic, and elastic properties of three mixed transition metal carbonitrides TiNxC1-x, ZrNxC1-x, and HfNxC1-x (0<x<1) with the rock-salt structure were calculated at ambient and elevated up to 50 GPa hydrostatic…

The influence of quenched disorder on the competition between ordered states separated by a first-order transition is investigated. A phase diagram with features resembling quantum-critical behavior is observed, even using classical models.…

The nanocrystalline-amorphous textures are commonly observed in the coatings synthesized by energetic deposition.This work reports a theoretical study towards binary Cu-C phase separation.By performing a MD simulation using the LAMMPS…

Phase diagram of the chiral random matrix model with U(1)A breaking term is studied with the quark chemical potentials varied independently at zero temperature, by taking the chiral and meson condensates as the order parameters. Although,…

Amorphous solids are ubiquitous among natural and man-made materials. Often used as structural materials for their attractive mechanical properties, their utility depends critically on their response to applied stresses. Processes…

Employing first-principle electronic structure calculations, we study the magnetic and electronic properties of the XY (X= Mg, Ca, Sr and Y= N, P, As, Sb) compounds crystallizing in the zincblende structure. The Ca and Sr alkaline-earth…

Large scale Monte Carlo simulation results for the two-orbital model for manganites, including Jahn-Teller lattice distortions, are here presented. At hole density x=1/4 and in the vicinity of the region of competition between the…

We systematically examine uncertainties from fitting rare earth single-ion crystal electric field (CEF) Hamiltonians to inelastic neutron scattering data. Using pyrochlore and delafossite structures as test cases, we find that uncertainty…

A model for crystal field triplet ground states on rare earth or actinide ions with dipolar and quadrupolar couplings to conduction electrons is studied for the first time with renormalization group methods. The quadrupolar coupling leads…

The crystal field parameters of 13 trivalent lanthanide ions substituted for La in LaF$_3$ were calculated using the combination of the band structure and Wannier function calculations. Performing an atomic exact diagonalization with thus…

Freezing of charged colloids on square or triangular two-dimensional periodic substrates has been recently shown to realize a rich variety of orientational orders. We propose a theoretical framework to analyze the corresponding structures.…

The QCD transition from a hadronic to a quark-gluon plasma phase is a cross-over at vanishing/small baryo-chemical potential, while at higher chemical potentials it is argued that it becomes of first order, ending with a critical end-point.…