Derivation of Lanthanide Series Crystal Field Parameters From First Principles

Two series of lanthanide complexes have been chosen to analyze trends in the magnetic properties and crystal field parameters (CFPs) along the two series: The highly symmetric LnZn₁₆(picHA)₁₆ series (Ln=Tb, Dy, Ho, Er, Yb; picHA=picolinohydroxamic acid) and the [Ln(dpa)₃](C₃H₅N₂)₃ ⋅ 3H₂O series (Ln=Ce–Yb; dpa=2,6-dipicolinic acid) with approximate three-fold symmetry. The first series presents a compressed coordination sphere of eight oxygen atoms whereas in the second series, the coordination sphere consists of an elongated coordination sphere formed of six oxygen atoms. The CFPs have been deduced from ab initio calculations using two methods: The AILFT (ab initio ligand field theory) method, in which the parameters are determined at the orbital level, and the ITO (irreducible tensor operator) decomposition, in which the problems are treated at the many-electron level. It has been found that the CFPs are transferable from one derivative to another, within a given series, as a first approximation. The sign of the second-order parameter differs in the two series, reflecting the different environments. It has been found that the use of the strength parameter S allows for an easy comparison between complexes. Furthermore, in both series, the parameters have been found to decrease in magnitude along the series, and this decrease is attributed to covalent effects.     

Semi-concurrent vector fields in Finsler geometry

In the present paper, we give an answer to a question which is closely related to doubly warped product of Finsler metrics: ‘‘For each n, is there an n-dimensional Finsler manifold $(M,F)$, admitting a non-constant smooth function f on M such that $\frac{\partial f}{\partial x^i}\frac{\partial g^{ij}}{\partial y^k}=0$?”. We relate the preceding mentioned condition to different concepts appeared and studied in Finsler geometry. We introduce and investigate the notion of a semi concurrent vector field on a Finsler manifold. We show that some special Finsler manifolds admitting such vector fields turn out to be Riemannian. We prove that Tachibana's characterization of Finsler manifolds admitting a concurrent vector field leads to Riemannian metrics. Various examples for conic Finsler spaces that admit semi-concurrent vector field are presented.     

Experiment on relationship between the magnetic gradient of low-carbon steel and its stress

In geomagnetic field, a series of tensile experiments on the low-carbon steel sticks were carried out. A special homemade detector was used to measure the magnetic gradient on the material surface. The results showed that the relationship between the magnetic gradient and the stress varied with different conditions of measurement. There was no obvious correlation between the magnetic gradient and the tensile stress if the sample remained on the material test machine. If the sample was taken off from the machine, the measured magnetic gradient was linear with the prior maximum stress. In Nanjing, PR China, a place of 32°N latitude, the slope of the linear relationship was about 67 (uT/m)/MPa. This offered a new method of non-destructive stress testing by measuring the magnetic gradient on the ferromagnetic component surface. The prior maximum applied stress of the sample could be tested by measuring the present surface magnetic gradient. Actually this phenomenon was the metal magnetic memory (MMM). The magnetic gradient near the stress concentration zone of the sample, the necking point, was much larger than other area. Thus, the hidden damage in the ferromagnetic component could be detected early by measuring the magnetic gradient distribution on its surface. In addition, the magnetic memory signal gradually weakened as the sample was taken off and laid aside. Therefore, it was effective for a given period of time to detect the stress or stress concentration based on the MMM testing.     

On the inclusion of collisional correlations in quantum dynamics

We present a formalism to describe collisional correlations responsible for thermalization effects in finite quantum systems. The approach consists in a stochastic extension of time dependent mean field theory. Correlations are treated in time dependent perturbation theory and loss of coherence is assumed at some time intervals allowing a stochastic reduction of the correlated dynamics in terms of a stochastic ensemble of time dependent mean-fields. This theory was formulated long ago in terms of density matrices but never applied in practical cases because of its complexity. We propose here a reformulation of the theory in terms of wave functions and use a simplified 1D model of cluster and molecules allowing to test the theory in a schematic but realistic manner. We illustrate the performance in terms of several observables, in particular global moments of the density matrix and single particle entropy built on occupation numbers. The occupation numbers remain fixed in time dependent mean-field propagation and change when evaluating the correlations, then taking fractional values. They converge asymptotically towards Fermi distributions which is a clear indication of thermalization.     

Dynamics of Robertson–Walker spacetimes with diffusion

We study the dynamics of spatially homogeneous and isotropic spacetimes containing a fluid undergoing microscopic velocity diffusion in a cosmological scalar field. After deriving a few exact solutions of the equations, we continue by analyzing the qualitative behavior of general solutions. To this purpose we recast the equations in the form of a two dimensional dynamical system and perform a global analysis of the flow. Among the admissible behaviors, we find solutions that are asymptotically de-Sitter both in the past and future time directions and which undergo accelerated expansion at all times.     

Emergent geometry experienced by fermions in graphene in the presence of dislocations

In graphene in the presence of strain the elasticity theory metric naturally appears. However, this is not the one experienced by fermionic quasiparticles. Fermions propagate in curved space, whose metric is defined by expansion of the effective Hamiltonian near the topologically protected Fermi point. We discuss relation between both types of metric for different parametrizations of graphene surface. Next, we extend our consideration to the case, when the dislocations are present. We consider the situation, when the deformation is described by elasticity theory and calculate both torsion and emergent magnetic field carried by the dislocation. The dislocation carries singular torsion in addition to the quantized flux of emergent magnetic field. Both may be observed in the scattering of quasiparticles on the dislocation. Emergent magnetic field flux manifests itself in the Aharonov–Bohm effect while the torsion singularity results in Stodolsky effect.