Electric fields with ultrasoft pseudo-potentials: applications to benzene and anthracene

We present density functional perturbation theory for electric field perturbations and ultra-soft pseudopotentials. Applications to benzene and anthracene molecules and surfaces are reported as examples. We point out several issues concerning the evaluation of the polarizability of molecules and slabs with periodic boundary conditions.Comment: 10 pages, 7 figures, to appear in J. Chem. Phy

Voltage from mechanical stress in type-II superconductors: Depinning of the magnetic flux by moving dislocations

Mechanical stress causes motion of defects in solids. We show that in a type-II superconductor a moving dislocation generates a pattern of current that exerts the depinning force on the surrounding vortex lattice. Concentration of dislocations and the mechanical stress needed to produce critical depinning currents are shown to be within practical range. When external magnetic field and transport current are present this effect generates voltage across the superconductor. Thus a superconductor can serve as an electrical sensor of the mechanical stress.Comment: 3 pages, 1 figure

Plausible Mechanisms for Brain Structural and Size Changes in Human Evolution

Encephalization has many contexts and implications. On one hand, it is concerned with the transformation of eating habits, social relationships and communication, cognitive skills and the mind. Along with the increase in brain size on the other hand, encephalization is connected with the creation of more complex brain structures, namely in the cerebral cortex. It is imperative to inquire into the mechanisms which are linked with brain growth and to find out which of these mechanisms allow it and determine it. There exist a number of theories for understanding human brain evolution which originate from neurological sciences. These theories are the concept of radial units, minicolumns, mirror neurons, and neurocognitive networks. Over the course of evolution, it is evident that a whole range of changes have taken place in regards to heredity. These changes include new mutations of genes in the microcephalin complex, gene duplications, gene co-expression, and genomic imprinting. This complex study of the growth and reorganization of the brain and the functioning of hereditary factors and their external influences creates an opportunity to consider the implications of cultural evolution and cognitive faculties

Identifying causal gateways and mediators in complex spatio-temporal systems

J.R. received support by the German National Academic Foundation (Studienstiftung), a Humboldt University Postdoctoral Fellowship, and the German Federal Ministry of Science and Education (Young Investigators Group CoSy-CC2, grant no. 01LN1306A). J.F.D. thanks the Stordalen Foundation and BMBF (project GLUES) for financial support. D.H. has been funded by grant ERC-CZ CORES LL-1201 of the Czech Ministry of Education. M.P. and N.J. received funding from the Czech Science Foundation project No. P303-14-02634S and from the Czech Ministry of Education, Youth and Sports, project No. DAAD-15-30. J.H. was supported by the Czech Science Foundation project GA13-23940S and Czech Health Research Council project NV15-29835A. We thank Mary Lindsey from the National Oceanic and Atmospheric Administration for her kind help with Fig. 4e. NCEP Reanalysis data provided by NOAA/OAR/ESRL PSD, Boulder, Colorado, USA, from their web site at http://www.esrl.noaa.gov/psd/.Peer reviewedPublisher PD

Spin properties of single electron states in coupled quantum dots

Spin properties of single electron states in laterally coupled quantum dots in the presence of a perpendicular magnetic field are studied by exact numerical diagonalization. Dresselhaus (linear and cubic) and Bychkov-Rashba spin-orbit couplings are included in a realistic model of confined dots based on GaAs. Group theoretical classification of quantum states with and without spin orbit coupling is provided. Spin-orbit effects on the g-factor are rather weak. It is shown that the frequency of coherent oscillations (tunneling amplitude) in coupled dots is largely unaffected by spin-orbit effects due to symmetry requirements. The leading contributions to the frequency involves the cubic term of the Dresselhaus coupling. Spin-orbit coupling in the presence of magnetic field leads to a spin-dependent tunneling amplitude, and thus to the possibility of spin to charge conversion, namely spatial separation of spin by coherent oscillations in a uniform magnetic field. It is also shown that spin hot spots exist in coupled GaAs dots already at moderate magnetic fields, and that spin hot spots at zero magnetic field are due to the cubic Dresselhaus term only.Comment: 16 pages, 12 figure

Vascular dysfunction in COVID-19 patients: update on SARS-CoV-2 infection of endothelial cells and the role of long non-coding RNAs

Although COVID-19 is primarily a respiratory disease, it may affect also the cardiovascular system. COVID-19 patients with cardiovascular disorder (CVD) develop a more severe disease course with a significantly higher mortality rate than non-CVD patients. A common denominator of CVD is the dysfunction of endothelial cells (ECs), increased vascular permeability, endothelial-to-mesenchymal transition, coagulation, and inflammation. It has been assumed that clinical complications in COVID-19 patients suffering from CVD are caused by SARS-CoV-2 infection of ECs through the angiotensin-converting enzyme 2 (ACE2) receptor and the cellular transmembrane protease serine 2 (TMPRSS2) and the consequent dysfunction of the infected vascular cells. Meanwhile, other factors associated with SARS-CoV-2 entry into the host cells have been described, including disintegrin and metalloproteinase domain-containing protein 17 (ADAM17), the C-type lectin CD209L or heparan sulfate proteoglycans (HSPG). Here, we discuss the current data about the putative entry of SARS-CoV-2 into endothelial and smooth muscle cells. Furthermore, we highlight the potential role of long non-coding RNAs (lncRNAs) affecting vascular permeability in CVD, a process that might exacerbate disease in COVID-19 patients

Strong Correlations in Electron Doped Phthalocyanine Conductors Near Half Filling

We propose that electron doped nontransition metal-phthalocyanines (MPc) like ZnPc and MgPc, similar to those very recently reported, should constitute novel strongly correlated metals. Due to orbital degeneracy, Jahn-Teller coupling and Hund's rule exchange, and with a large on-site Coulomb repulsion, these molecular conductors should display, particularly near half filling at two electrons/molecule, very unconventional properties, including Mott insulators, strongly correlated superconductivity, and other intriguing phases.Comment: 4 pages, 1 figure, submited to PR

On Vertex- and Empty-Ply Proximity Drawings

We initiate the study of the vertex-ply of straight-line drawings, as a relaxation of the recently introduced ply number. Consider the disks centered at each vertex with radius equal to half the length of the longest edge incident to the vertex. The vertex-ply of a drawing is determined by the vertex covered by the maximum number of disks. The main motivation for considering this relaxation is to relate the concept of ply to proximity drawings. In fact, if we interpret the set of disks as proximity regions, a drawing with vertex-ply number 1 can be seen as a weak proximity drawing, which we call empty-ply drawing. We show non-trivial relationships between the ply number and the vertex-ply number. Then, we focus on empty-ply drawings, proving some properties and studying what classes of graphs admit such drawings. Finally, we prove a lower bound on the ply and the vertex-ply of planar drawings.Comment: Appears in the Proceedings of the 25th International Symposium on Graph Drawing and Network Visualization (GD 2017

Spin-orbit coupled particle in a spin bath

We consider a spin-orbit coupled particle confined in a quantum dot in a bath of impurity spins. We investigate the consequences of spin-orbit coupling on the interactions that the particle mediates in the spin bath. We show that in the presence of spin-orbit coupling, the impurity-impurity interactions are no longer spin-conserving. We quantify the degree of this symmetry breaking and show how it relates to the spin-orbit coupling strength. We identify several ways how the impurity ensemble can in this way relax its spin by coupling to phonons. A typical resulting relaxation rate for a self-assembled Mn-doped ZnTe quantum dot populated by a hole is 1 $\mu$s. We also show that decoherence arising from nuclear spins in lateral quantum dots is still removable by a spin echo protocol, even if the confined electron is spin-orbit coupled.Comment: 18 pages, 1 figur

Nonlinear parametric instability in double-well lattices

A possibility of a nonlinear resonant instability of uniform oscillations in dynamical lattices with harmonic intersite coupling and onsite nonlinearity is predicted. Numerical simulations of a lattice with a double-well onsite anharmonic potential confirm the existence of the nonlinear instability with an anomalous value of the corresponding power index, 1.57, which is intermediate between the values 1 and 2 characterizing the linear and nonlinear (quadratic) instabilities. The anomalous power index may be a result of competition between the resonant quadratic instability and nonresonant linear instabilities. The observed instability triggers transition of the lattice into a chaotic dynamical state.Comment: A latex text file and three pdf files with figures. Physical Review E, in pres