Related papers: Cascade morphology transition in bcc metals
Very accurate wave functions are calculated for small transition metal oxide molecules. These wave functions are decomposed using reduced density matrices to study the underlying correlation of electrons. The correlation is primarily of…
We study the influence of the atomic structure in the vicinity of voids on their growth rate anisotropy. In the first part, we model the atomic structure in the vicinity of nanovoids in Fe and W using the advanced Molecular Statics method.…
Shapes and energies of icosahedral fullerenes are studied on an atomically detailed level. The numerical results based on the effective binary carbon-carbon potential are related to the theory of elasticity of crystalline membranes with…
We discuss ``cascade mixing", where one particle mixture, say a B0, leads to another, say a K0. A simple analysis is possible in the amplitude approach, which avoids ``collapses of the wavefunction" and is explicitly covariant. Some novel…
The spontaneous emission spectrum for a three level cascade configuration atom in a single mode high-Q cavity coupled to a zero temperature reservoir of continuum external modes is determined from the atom-cavity mode master equation using…
Single-layer transition metal dichalcogenides (TMDCs) can adopt two distinct structures corresponding to different coordination of the metal atoms. TMDCs adopting the T-type structure exhibit a rich and diverse set of phenomena, including…
The properties of a macroscopic assembly of weakly-repulsive bosons at zero temperature are well described by Gross-Pitaevskii mean-field theory. According to this formalism the system exhibits a quantum transition from superfluid to…
The interactions between solute atoms and crystalline defects such as vacancies, dislocations, and grain boundaries play an essential role in determining physical, chemical and mechanical properties of solid-solution alloys. Here we present…
Pyrochlore oxides with chemical formula of A2B2O7 exhibit a diverse range of electronic properties as a representative family of quantum materials. These properties mostly stem from strong electron correlations at the transition metal B…
Thermodynamic equations for a solid and a solid continuum under stress are derived on the basis of a multicomponent mean field Markov process for thermofluctuation kinetics of microcracks. The resulting continuum is viscous elastoplastic…
Dynamical density functional simulations reveal structural aspects of crystal nucleation in undercooled liquids: the first appearing solid is amorphous, which promotes the nucleation of bcc crystals, but suppresses the appearance of the fcc…
Topotactic transition is a structural phase change in a matrix crystal lattice mediated by the ordered loss/gain and rearrangement of atoms, leading to unusual coordination environments and metal atoms with rare valent states. As early as…
Recent reflectivity measurements provide evidence for a "violation" of the in-plane optical integral in the underdoped high-T_c compound Bi_2Sr_2CaCu_2O_{8+\delta} up to frequencies much higher than expected by standard BCS theory. The sum…
We determine the nature of a phase transition in a model describing an interaction of multiple charge density waves in a two dimensional film. The model was introduced by two of the authors in Phys. Rev. B {\bf 108}, 045119 (2023) to…
We have studied the high-pressure iron bcc to hcp phase transition by simultaneous X-ray Magnetic Circular Dichroism (XMCD) and X-ray Absorption Spectroscopy (XAS) with an X-ray dispersive spectrometer. The combination of the two techniques…
In this work, we develop a universal picture from topology in the thermodynamic parameters space to describe first order phase transitions of black holes. By employing an off-shell internal energy, we find two types of topological defects.…
The basic notion of percolation in physics assumes the emergence of a giant connected (percolation) cluster in a large disordered system when the density of connections exceeds some critical value. Until recently, the percolation phase…
We have observed a bimodal behaviour of the distribution of the asymmetry between the charges of the two heaviest products resulting from the decay of the quasi-projectile released in binary Xe+Sn and Au+Au collisions from 60 to 100 MeV/u.…
In studying the dynamics of large N_c, SU(N_c) gauge theory at finite temperature with fundamental quark flavours in the quenched approximation, we observe a first order phase transition. A quark condensate forms at finite quark mass, and…
We have investigated the trends in the formation of carbon vacancies in binary transition metal (TM) carbides using density functional calculations for two common TM carbide crystal structures, namely the B1 (rock-salt) and WC structure…