Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr2IrO4 by magnetically constrained noncollinear DFT

We study the canted magnetic state in Sr2IrO4 using fully relativistic density functional theory (DFT) including an on-site Hubbard U correction. A complete magnetic phase diagram with respect to the tetragonal distortion and the rotation of IrO6 octahedra is constructed, revealing the presence of two types of canted to collinear magnetic transitions: a spin-flop transition with increasing tetragonal distortion and a complete quenching of the basal weak ferromagnetic moment below a critical octahedral rotation. Moreover, we put forward a scheme to study the anisotropic magnetic couplings by mapping magnetically constrained noncollinear DFT onto a general spin Hamiltonian. This procedure allows for the simultaneous account and direct control of the lattice, spin, and orbital interactions within a fully ab initio scheme. We compute the isotropic, single site anisotropy and Dzyaloshinskii-Moriya (DM) coupling parameters, and clarify that the origin of the canted magnetic state in Sr2IrO4 arises from the structural distortions and the competition between isotropic exchange and DM interactions.

Fermionic edge states and new physics

We investigate the properties of the Dirac operator on manifolds with boundaries in the presence of the Atiyah-Patodi-Singer boundary condition. An exact counting of the number of edge states for boundaries with isometry of a sphere is given. We show that the problem with the above boundary condition can be mapped to one where the manifold is extended beyond the boundary and the boundary condition is replaced by a delta function potential of suitable strength. We also briefly highlight how the problem of the self-adjointness of the operators in the presence of moving boundaries can be simplified by suitable transformations which render the boundary fixed and modify the Hamiltonian and the boundary condition to reflect the effect of moving boundary.

Towards an exact factorization of the molecular wave function

An exact single-product factorisation of the molecular wave function for the timedependent Schrodinger equation is investigated by using an ansatz involving a phasefactor. By using the Frenkel variational method, we obtain the Schrodinger equations for the electronic and nuclear wave functions. The concept of a potential energy surface (PES) is retained by introducing a modified Hamiltonian as suggested earlier by Cederbaum. The parameter in the phase factor is chosen such that the equations of motion retain the physically appealing Born- Oppenheimer-like form, and is therefore unique.

1D Tight-Binding Models Render Quantum First Passage Time ``Speakable''

The calculation of First Passage Time (moreover, even its probability density in time) has so far been generally viewed as an ill-posed problem in the domain of quantum mechanics. The reasons can be summarily seen in the fact that the quantum probabilities in general do not satisfy the Kolmogorov sum rule: the probabilities for entering and non-entering of Feynman paths into a given region of space-time do not in general add up to unity, much owing to the interference of alternative paths. In the present work, it is pointed out that a special case exists (within quantum framework), in which, by design, there exists one and only one available path (i.e., door-way) to mediate the (first) passage -no alternative path to interfere with. Further, it is identified that a popular family of quantum systems - namely the 1d tight binding Hamiltonian systems - falls under this special category. For these model quantum systems, the first passage time distributions are obtained analytically by suitably applying a method originally devised for classical (stochastic) mechanics (by Schroedinger in 1915). This result is interesting especially given the fact that the tight binding models are extensively used in describing everyday phenomena in condense matter physics.

Supersymmetry: Boundary conditions and edge states

When spatial boundaries are inserted, supersymmetry (SUSY) can be broken. We have shown that in an N = 2 supersymmetric theory, all local boundary conditions allowed by self-adjointness of the Hamiltonian break N = 2 SUSY, while only a few of these boundary conditions preserve N = 1 SUSY. We have also shown that for a subset of the boundary conditions compatible with N = 1 SUSY, there exist fermionic ground states which are localized near the boundary. We also show that only very few nonlocal boundary conditions like periodic boundary conditions preserve full N = 2 supersymmetry, but none of them exhibits edge states.

Baryon squishing in synthetic dimensions by effective SU(M) gauge fields

The ``synthetic dimension'' proposal A. Celi et al., Phys. Rev. Lett. 112, 043001 (2014)] uses atoms with M internal states (''flavors'') in a one-dimensional (1D) optical lattice, to realize a hopping Hamiltonian equivalent to the Hofstadter model (tight-binding model with a given magnetic flux per plaquette) on an M-sites-wide square lattice strip. We investigate the physics of SU(M) symmetric interactions in the synthetic dimension system. We show that this system is equivalent to particles with SU(M) symmetric interactions] experiencing an SU(M) Zeeman field at each lattice site and a non-Abelian SU(M) gauge potential that affects their hopping. This equivalence brings out the possibility of generating nonlocal interactions between particles at different sites of the optical lattice. In addition, the gauge field induces a flavor-orbital coupling, which mitigates the ``baryon breaking'' effect of the Zeeman field. For M particles, concomitantly, the SU(M) singlet baryon which is site localized in the usual 1D optical lattice, is deformed to a nonlocal object (''squished baryon''). We conclusively demonstrate this effect by analytical arguments and exact (numerical) diagonalization studies. Our study promises a rich many-body phase diagram for this system. It also uncovers the possibility of using the synthetic dimension system to laboratory realize condensed-matter models such as the SU(M) random flux model, inconceivable in conventional experimental systems.

Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N = 3n + 1 approximate to 500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with N-A not equal N-B. The ground state (GS) and spin densities rho(r) = < S-r(z)> at site r are quite different for junctions with S = 1/2, 1, 3/2, and 2. The GS has finite total spin S-G = 2S(S) for even (odd) N and for M-G = S-G in the S-G spin manifold, rho(r) > 0(< 0) at sites of the larger (smaller) sublattice. S = 1/2 junctions have delocalized states and decreasing spin densities with increasing N. S = 1 junctions have four localized S-z = 1/2 states at the end of each arm and centered on the junction, consistent with localized states in S = 1 chains with finite Haldane gap. The GS of S = 3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S = 1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S = 3/2 or 2 junctions.

Hierarchy of structure functions for passive scalars advected by turbulent flows

A hierarchical model is proposed for the joint moments of the passive scalar dissipation and the velocity dissipation in fluid turbulence. This model predicts that the joint probability density function (PDF) of the dissipations is a bivariate log-Poisson. An analytical calculation of the scaling exponents of structure functions of the passive scalar is carried out for this hierarchical model, showing a good agreement with the results of direct numerical simulations and experiments.

An extension of the Quasicontinuum Treatment of Multiscale Solid Systems to Nonzero Temperature

Covering the solid lattice with a finite-element mesh produces a coarse-grained system of mesh nodes as pseudoatoms interacting through an effective potential energy that depends implicitly on the thermodynamic state. Use of the pseudoatomic Hamiltonian in a Monte Carlo simulation of the two-dimensional Lennard-Jones crystal yields equilibrium thermomechanical properties (e.g., isotropic stress) in excellent agreement with ``exact'' fully atomistic results.

Direct Numerical Simulation of Passive Scalar in Decaying Compressible Turbulence

The passive scalars in the decaying compressible turbulence with the initial Reynolds number (defined by Taylor scale and RMS velocity) Re=72, the initial turbulent Mach numbers (defined by RMS velocity and mean sound speed) Mt=0.2-0.9, and the Schmidt numbers of passive scalar Sc=2-10 are numerically simulated by using a 7th order upwind difference scheme and 8th order group velocity control scheme. The computed results are validated with different numerical methods and different mesh sizes. The Batchelor scaling with k(-1) range is found in scalar spectra. The passive scalar spectra decay faster with the increasing turbulent Mach number. The extended self-similarity (ESS) is found in the passive scalar of compressible turbulence.

蛋白质吸附和竞争吸附对ROS 17/2.8细胞粘附和生长的影响

细胞在材料表面的粘附是贴壁依赖型细胞生长的前提.本文以胶原和牛血清蛋白(BSA)为模型蛋白,研究了两者的吸附和竞争吸附对细胞粘附和生长的影响.

Autoconcepto y calidad de vida en niños entre 8 y 12 años que concurren a los hogares de tránsito de la ciudad de Concepción del Uruguay, Entre Ríos

Resumen: La presente investigación, de tipo descriptiva-correlacional y transversal, se centró en conocer la relación que existe entre el autoconcepto y la calidad de vida de los niños entre 8 y 12 años que concurren a los hogares de tránsito, en la ciudad de Concepción del Uruguay, Entre Ríos. La muestra (no probabilística, intencional) estuvo conformada por 64 niños, de ambos sexos, 33 varones y 31 mujeres. Los mismos tenían entre 8 y 12 años. Los individuos evaluados eran asistentes a los hogares de tránsito mencionados anteriormente. Las técnicas de recolección de datos utilizadas fueron las siguientes: la Escala Verbal para Niños y Adolescentes del Autoconcepto de Martina Casullo, adaptación de Piers-Harris (1964) y el Cuestionario para Calidad de Vida Kidscreen-27. La Escala Verbal para Niños y Adolescentes del Autoconcepto (Casullo, 1990), cuenta con seis dimensiones: comportamiento, estatus intelectual y escolar, imagen corporal, sentimientos de ansiedad, percepciones acerca del reconocimiento que otros hacen de la propia conducta (popularidad) y bienestar y satisfacción personal. El cuestionario Kidscreen-27 (Quintero, Lugo, García, y Sánchez, 2011) consta de cinco dimensiones: actividad física y salud, estado de ánimo y sentimientos, vida familiar y tiempo libre, apoyo social y amigos, y entorno escolar. Los datos fueron recabados por medio de la concurrencia a ambos hogares, solicitando previamente las autorizaciones correspondientes a los directivos, como así también a los padres y/o tutores de los niños. Respecto a los procedimientos de análisis de los datos, se utilizó el programa estadístico informático SPSS (Statistical Package for the Social Sciences) versión 15.0 para Windows. Se realizó un análisis descriptivo de las dos variables principales de esta investigación (autoconcepto y calidad de vida) con el objetivo de conocer los niveles con que se presentan en niños. Además, para conocer la relación entre ambas variables, se llevó a cabo el análisis de correlación de Pearson. Para estudiar si existe diferencia en el autoconcepto y la calidad de vida en función del sexo de los niños, se realizó análisis multivariados de varianza (MANOVA). Los resultados obtenidos indicaron niveles elevados en la mayoría de las dimensiones de las variables estudiadas (autoconcepto y calidad de vida). En cuanto a las distinciones según el sexo en dichas variables, no se encontraron diferencias significativas, sólo una variación mínima en dos dimensiones del autoconcepto, donde se visualiza que el comportamiento social y la popularidad es más elevada en los niños que en las niñas.Se hallaron, por otro lado, correlaciones estadísticamente significativas en la mayoría de las dimensiones de ambas variables, las mismas son: entre comportamiento y actividad física/salud; entre comportamiento y apoyo social/amigos; entre comportamiento y entorno escolar; entre estatus intelectual/escolar y actividad física/salud; entre estatus intelectual/escolar y estado de ánimo/sentimientos; entre estatus intelectual/escolar y entorno escolar; entre imagen corporal con apoyo social/amigos; entre sentimientos de ansiedad y actividad física/salud; entre sentimientos de ansiedad y estado de ánimo/sentimientos; entre sentimientos de ansiedad y apoyo social/amigos; entre popularidad y estado de ánimo/sentimientos; entre popularidad y apoyo social/amigos; entre bienestar/satisfacción vital y actividad física/salud; entre bienestar/satisfacción vital y estado de ánimo/sentimientos; entre bienestar/satisfacción vital y apoyo social/amigos; entre bienestar/satisfacción vital y entorno escolar; entre el total global del autoconcepto y actividad física/salud; entre el total global del autoconcepto y estado de ánimo/sentimientos; entre el total global del autoconcepto y apoyo social/amigos; entre el total global del autoconcepto y entorno escolar. Sólo una dimensión de la calidad de vida no se relaciona con ninguna de las dimensiones del autoconcepto, a saber, vida familiar/tiempo libre. En lo que respecta a las conclusiones, puede considerarse que los resultados de esta investigación verifican que existe correlación entre el autoconcepto y la calidad de vida de los niños concurrentes a los hogares de tránsito Santa Clara de Asís y la Casa del Menor

Relation between Stabilization Energy, Crystal Field Coefficient and the Magnetic Exchange Interaction for Tb3+ Ion

Based on a single ion model, Hamiltonian of the simplest form about magnetocrystalline anisotropy for Tb3+ ion was solved by using the numerical method. The relation between the stabilization energy, crystal field coefficient B-2(0) and the magnetic exchange interaction was studied as temperature approaches to 0 K. The results show that the stabilization energy contributed by Tb3+ is linear with crystal field coefficient B-2(0) approximately, but it is insensitive to the change of magnetic exchange interaction for the strong magnetic substances such as TbCo5, Tb2Co17 and Tb2Fe14B compounds.