Related papers: Cascade morphology transition in bcc metals
Results of the first-principles calculations are presented for the group-VB metals V, Nb and Ta up to couple of megabar pressure. An unique structural phase transition sequence BCC-->(at 60 GPa) rhombohedral (angle=110.5 degree)-->(at ~ 160…
We study the quantum transition from a strongly correlated metal, with heavy fermionic quasiparticles, to a metal with commensurate charge or spin density wave order. To this end, we introduce and numerically analyze a large dimensionality…
In the canonical formalism of statistical physics, a signature of a first order phase transition for finite systems is the bimodal distribution of an order parameter. Previous thermodynamical studies of nuclear sources produced in heavy-ion…
We observe dramatic changes in the atomic momentum distribution of a Fermi gas in the region of the BCS-BEC crossover. We study the shape of the momentum distribution and the kinetic energy as a function of interaction strength. The…
Concentrated solid--solution alloys (CSAs) in single--phase form have recently garnered considerable attention owing to their potential for exceptional irradiation resistance. This computational study delves into the intricate interplay of…
Conformational transitions are ubiquitous in biomolecular systems, have significant functional roles and are subject to evolutionary pressures. Here we provide a first theoretical framework for topological transition, i.e. conformational…
Body-centred cubic (BCC) transition metals tend to be brittle at low temperatures, posing significant challenges in processing and major concerns for damage tolerance. The brittleness is largely dictated by the screw dislocation core; the…
The interfacial free energy is a central quantity in crystallization from the meta-stable melt. In suspensions of charged colloidal spheres, nucleation and growth kinetics can be accurately measured from optical experiments. In previous…
The kinetics of HCP-BCC structure phase transition is studied by precise pressure measurement technique in 4He crystals of different quality. An anomalous pressure behavior in bad quality crystals under constant volume conditions is…
An effective continuum theory is constructed for the topological phase transition of excitons in quasi-two-dimensional systems. These topological excitons crucially determine the optoelectronic properties, because of their larger binding…
In this work we investigate the quantum nature of bcc $^{4}$He. We show that it is a solid phase with an Off-Diagonal Long Range Order of coherently oscillating local electric dipole moments. These dipoles arise from the correlated…
Metal organic frameworks are porous materials composed of metal ions or clusters coordinated by organic molecules. As a response to applied uniaxial pressure, molecules of straight shape in the framework start to buckle. Under sufficiently…
We examine the discontinuous first-order superfluid $^3$He A to B transition in the vicinity of the polycritical point (2.232 mK and 21.22 bar). We find path-dependent transitions: cooling at fixed pressure yields a well defined transition…
The point defect thermodynamics in a general family of binary compounds, including B2 compounds as a specific representative, are classified by way of two non-trivial energy parameters. The scheme is applied to published ab initio defect…
Preparation of molecular quantum gas promises novel applications including quantum control of chemical reactions, precision measurements, quantum simulation and quantum information processing. Experimental preparation of colder and denser…
The emergence of periodic oscillations is observed in various complex systems in nature and engineering. Thermoacoustic oscillations in systems comprising turbulent reactive flow exemplify such complexity in the engineering context, where…
Knowledge on structures and energetics of nanovoids is fundamental to understand defect evolution in metals. Yet there remain no reliable methods able to determine essential structural details or to provide accurate assessment of energetics…
We propose a new way to treat the ordering of nuclear magnetism of solid $^{3}$He. We argue that the magnetic interaction arises indirectly as a consequence of correlated zero-point motion of the ions. This motion lowers the energy of the…
Crystals of repulsively interacting ions in planar traps form hexagonal lattices, which undergo a buckling instability towards a multi-layer structure as the transverse trap frequency is reduced. Numerical and experimental results indicate…
In recent experiments on sodium chloride clusters structural transitions between nanocrystals with different cuboidal shapes were detected. Here we presents results for the thermodynamics and dynamics of one of these clusters, (NaCl)35Cl-.…