相关论文: Ab initio investigation on oxygen defect clusters …

Melting of uranium dioxide (UO2) nanocrystals has been studied by molecular dynamics (MD) simulation. Ten recent and widely used sets of pair potentials were assessed in the rigid ion approximation. Both isolated (in vacuum) and periodic…

We perform ab initio calculations of hydrogen-based tunneling defects in alumina to identify deleterious two-level systems (TLS) in superconducting qubits. The defects analyzed include bulk hydrogenated Al vacancies, bulk hydrogen…

A great deal of research work has been undertaken in alpha-clustering study since the pioneering discovery of 12C+12C molecular resonances half a century ago. Our knowledge on physics of nuclear molecules has increased considerably and…

We investigate using first-principles calculations the atomic structure of the orthorhombic phase of Ta$_2$O$_5$. Although this structure has been studied for decades, the correct structural model is controversial owing to the complication…

A great deal of research work has been undertaken in the alpha-clustering study since the pioneering discovery, half a century ago, of 12C+12C molecular resonances. Our knowledge of the field of the physics of nuclear molecules has…

A two-dimensional or quasi-two-dimensional nematic liquid crystal refers to a surface confined system. When such a system is further confined by external line boundaries or excluded from internal line boundaries, the nematic directors form…

It is shown that nearly-flat 3+1D spacetime emerging from a dual quantum field theory in 2+1D displays quantum fluctuations from classical Euclidean geometry on macroscopic scales. A covariant holographic mapping is assumed, where plane…

The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…

The experimental revolution in ultracold atomic gas physics over the past decades have brought tremendous amounts of new insight to the world of degenerate quantum systems. Here we compare and constrast the developments of cold atomic gases…

The formalism of electronic density-functional-theory, with Hubbard-U corrections (DFT+U), is employed in a computational study of the energetics of U_{1-x} Ce_x O_2 mixtures. The computational approach makes use of a procedure which…

The formation of topological defects in a second order phase transition in the early universe is an out-of-equilibrium process. Condensed matter experiments seem to support Zurek's mechanism, in which the freezing of thermal fluctuations…

We study quantum decoherence of curvature perturbations at superhorizon scales caused by the gravitational nonlinearities. We show that cubic gravitational couplings, constrained by the spatial diffeomorphism invariance, lead to infrared…

It is shown that the rotational band structure of the cluster states in 12C and 16O can be understood in terms of the underlying discrete symmetry that characterizes the geometrical configuration of the alpha-particles, i.e. an equilateral…

We explore the appearance of light clusters at high densities of collapsing stellar cores. Special attention is paid to the unstable isotope H4, which was not included in previous studies. The importance of light clusters in the calculation…

Charged colloidal particles - both on the nano and micron scales - have been instrumental in enhancing our understanding of both atomic and colloidal crystals. These systems can be straightforwardly realized in the lab, and tuned to…

The thermodynamics of a charge-asymmetric lattice gas of positive ions carrying charge $q$ and negative ions with charge $-zq$ is investigated using Debye-H\"uckel theory. Explicit analytic and numerical calculations, which take into…

Thermodynamic principles are often deceptively simple and yet surprisingly powerful. We show how a simple rule, such as the net flow of energy in and out of a moving atom under nonequilibrium steady state condition, can expose the…

We provide a lightning review of the construction of (generalised) orbifolds [arXiv:0909.5013, arXiv:1210.6363] of two-dimensional quantum field theories in terms of topological defects, along the lines of [arXiv:1307.3141]. This universal…

Till now, the foundation of quantum physics is still mysterious. To explore the mysteries in the foundation of quantum physics, people always take it for granted that quantum processes must be some types of fields/objects on a rigid space.…

Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations…