Related papers: CVM studies on the atomic ordering in complex pero…
We use high-throughput first-principles sampling to investigate competitive factors that determine the crystal structure of high-entropy alloys (HEAs) and the energetics dependence of the stable phase on the atomic configuration of fully…
In insulating materials with ordered magnetic spiral phases, ferroelectricity can emerge due to the breaking of inversion symmetry. This property is of both fundamental and practical interest, in particular with a view to exploiting it in…
We explore quantum phase transitions using two probes of quantum chaos: out-of-time-order correlators (OTOCs) and the $r$-parameter obtained from the level spacing statistics. In particular, we address $p$-spin models associated with…
Phase transitions in random systems are smeared if individual spatial regions can order independently of the bulk system. In this paper, we study such smeared phase transitions (both classical and quantum) in substitutional alloys…
Perturbation theory is a powerful tool for studying large-scale structure formation in the universe and calculating observables such as the power spectrum or bispectrum. However, beyond linear order, typically this is done by assuming a…
The UrQMD model with a density dependent equation of state, including a first-order phase transition, is used to study the time dependence of baryon number and proton number susceptibilities up to third order in heavy ion reactions of…
Jamming is an athermal transition between flowing and rigid states in amorphous systems such as granular matter, colloidal suspensions, complex fluids and cells. The jamming transition seems to display mixed aspects of a first-order…
The Cluster Variation Method (CVM) is applied to the Ishibashi model for ammonium dihydrogen phosphate ($\rm NH_{4}H_{2}PO_{4}$) of a typical hydrogen bonded anti-ferroelectric crystal. The staggered and the uniform susceptibility without…
A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…
A short introduction to the complex phenomena encountered in transition metal oxides with either charge or orbital or joint charge-and-orbital order, usually accompanied by magnetic order, is presented. It is argued that all the types of…
Large spin systems can exhibit unconventional types of magnetic ordering different from the ferromagnetic or N\'eel-like antiferromagnetic order commonly found in spin 1/2 systems. Spin-nematic phases, for instance, do not break…
Understanding the spatial arrangements of atom-centered coordination octahedra is crucial for relating structures to properties for many materials families. Traditional case-by-case inspection becomes a prohibitive task for discovering…
We show in simulations that a rich variety of novel orderings such as pinwheel and star states can be realized for colloidal molecular crystal mixtures at rational ratios of the number of colloids to the number of minima from an underlying…
Among metallic alloys, ceramics, and even common compounds such as water ice, it is usual to find materials in which crystalline order is expressed as a probability. In such cases, one or more sites within a crystal can be occupied by…
We study the classical version of the 120-degree model. This is an attractive nearest-neighbor system in three dimensions with XY (rotor) spins and interaction such that only a particular projection of the spins gets coupled in each…
We study the competing order and chaos in a first-order quantum phase transition with a high barrier. The boson model Hamiltonian employed, interpolates between its U(5) (spherical) and SU(3) (deformed) limits. A classical analysis reveals…
We study the kinetics of the nematic-isotropic transition in a two-dimensional liquid crystal by using a lattice Boltzmann scheme that couples the tensor order parameter and the flow consistently. Unlike in previous studies, we find the…
The technological performances of metallic compounds are largely influenced by atomic ordering. Although there is a general consensus that successful theories of metallic systems should account for the quantum nature of the electronic glue,…
Ordering in realistic elongated box-shape crystals of the molecular magnet Mn_12 Ac is investigated with the site-resolved mean-field approximation that does not assume a uniform ordering. It is shown that ferromagnetic ordering should not…
The degree of randomness, or partial order, present in two-dimensional supramolecular arrays of isophthalate tetracarboxylic acids is shown to vary due to subtle chemical changes such as the choice of solvent or small differences in…