Phase Field Modeling of Fracture and Stress Induced Phase Transitions

We present a continuum theory to describe elastically induced phase transitions between coherent solid phases. In the limit of vanishing elastic constants in one of the phases, the model can be used to describe fracture on the basis of the late stage of the Asaro-Tiller-Grinfeld instability. Starting from a sharp interface formulation we derive the elastic equations and the dissipative interface kinetics. We develop a phase field model to simulate these processes numerically; in the sharp interface limit, it reproduces the desired equations of motion and boundary conditions. We perform large scale simulations of fracture processes to eliminate finite-size effects and compare the results to a recently developed sharp interface method. Details of the numerical simulations are explained, and the generalization to multiphase simulations is presented

XO-2b: a hot Jupiter with a variable host star that potentially affects its measured transit depth

The transiting hot Jupiter XO-2b is an ideal target for multi-object photometry and spectroscopy as it has a relatively bright ($V$-mag = 11.25) K0V host star (XO-2N) and a large planet-to-star contrast ratio (R$_{p}$/R$_{s}\approx0.015$). It also has a nearby (31.21") binary stellar companion (XO-2S) of nearly the same brightness ($V$-mag = 11.20) and spectral type (G9V), allowing for the characterization and removal of shared systematic errors (e.g., airmass brightness variations). We have therefore conducted a multiyear (2012--2015) study of XO-2b with the University of Arizona's 61" (1.55~m) Kuiper Telescope and Mont4k CCD in the Bessel U and Harris B photometric passbands to measure its Rayleigh scattering slope to place upper limits on the pressure-dependent radius at, e.g., 10~bar. Such measurements are needed to constrain its derived molecular abundances from primary transit observations. We have also been monitoring XO-2N since the 2013--2014 winter season with Tennessee State University's Celestron-14 (0.36~m) automated imaging telescope to investigate stellar variability, which could affect XO-2b's transit depth. Our observations indicate that XO-2N is variable, potentially due to {cool star} spots, {with a peak-to-peak amplitude of $0.0049 \pm 0.0007$~R-mag and a period of $29.89 \pm 0.16$~days for the 2013--2014 observing season and a peak-to-peak amplitude of $0.0035 \pm 0.0007$~R-mag and $27.34 \pm 0.21$~day period for the 2014--2015 observing season. Because of} the likely influence of XO-2N's variability on the derivation of XO-2b's transit depth, we cannot bin multiple nights of data to decrease our uncertainties, preventing us from constraining its gas abundances. This study demonstrates that long-term monitoring programs of exoplanet host stars are crucial for understanding host star variability.Comment: published in ApJ, 9 pages, 11 figures, 3 tables; updated figures with more ground-based monitoring, added more citations to previous work

Breaking a one-dimensional chain: fracture in 1 + 1 dimensions

The breaking rate of an atomic chain stretched at zero temperature by a constant force can be calculated in a quasiclassical approximation by finding the localized solutions ("bounces") of the equations of classical dynamics in imaginary time. We show that this theory is related to the critical cracks of stressed solids, because the world lines of the atoms in the chain form a two-dimensional crystal, and the bounce is a crack configuration in (unstable) mechanical equilibrium. Thus the tunneling time, Action, and breaking rate in the limit of small forces are determined by the classical results of Griffith. For the limit of large forces we give an exact bounce solution that describes the quantum fracture and classical crack close to the limit of mechanical stability. This limit can be viewed as a critical phenomenon for which we establish a Levanyuk-Ginzburg criterion of weakness of fluctuations, and propose a scaling argument for the critical regime. The post-tunneling dynamics is understood by the analytic continuation of the bounce solutions to real time.Comment: 15 pages, 5 figure

Symmetry adapted finite-cluster solver for quantum Heisenberg model in two-dimensions: a real-space renormalization approach

We present a quantum cluster solver for spin-$S$ Heisenberg model on a two-dimensional lattice. The formalism is based on the real-space renormalization procedure and uses the lattice point group-theoretical analysis and nonabelian SU(2) spin symmetry technique. The exact diagonalization procedure is used twice at each renormalization group step. The method is applied to the spin-half antiferromagnet on a square lattice and a calculation of local observables is demonstrated. A symmetry based truncation procedure is suggested and verified numerically.Comment: willm appear in J. Phys.

Orbital liquid in ferromagnetic manganites: The orbital Hubbard model for ege_g electrons

We have analyzed the symmetry properties and the ground state of an orbital Hubbard model with two orbital flavors, describing a partly filled spin-polarized $e_g$ band on a cubic lattice, as in ferromagnetic manganites. We demonstrate that the off-diagonal hopping responsible for transitions between $x^2-y^2$ and $3z^2-r^2$ orbitals, and the absence of SU(2) invariance in orbital space, have important implications. One finds that superexchange contributes in all orbital ordered states, the Nagaoka theorem does not apply, and the kinetic energy is much enhanced as compared with the spin case. Therefore, orbital ordered states are harder to stabilize in the Hartree-Fock approximation (HFA), and the onset of a uniform ferro-orbital polarization and antiferro-orbital instability are similar to each other, unlike in spin case. Next we formulate a cubic (gauge) invariant slave boson approach using the orbitals with complex coefficients. In the mean-field approximation it leads to the renormalization of the kinetic energy, and provides a reliable estimate for the ground state energy of the disordered state. Using this approach one finds that the HFA fails qualitatively in the regime of large Coulomb repulsion $U\to\infty$ -- the orbital order is unstable, and instead a strongly correlated orbital liquid with disordered orbitals is realized at any electron filling.Comment: 25 pages, 9 figure

One-dimensional orbital fluctuations and the exotic magnetic properties of YVO3_3

Starting from the Mott insulator picture for cubic vanadates, we derive and investigate the model of superexchange interactions between V$^{3+}$ ions, with nearly degenerate $t_{2g}$ orbitals occupied by two electrons each. The superexchange interactions are strongly frustrated and demonstrate a strong interrelation between possible types of magnetic and orbital order. We elucidate the prominent role played by fluctuations of $yz$ and $xz$ orbitals which generate ferromagnetic superexchange interactions even in the absence of Hund's exchange. In this limit we find orbital valence bond state which is replaced either by $C$-type antiferromagnetic order with weak $G$-type orbital order at increasing Hund's exchange, or instead by $G$-type antiferromagnetic order when the lattice distortions stabilize $C$-type orbital order. Both phases are observed in YVO$_3$ and we argue that a dimerized $C$-type antiferromagnetic phase with stronger and weaker FM bonds alternating along the c axis may be stabilized by large spin-orbital entropy at finite temperature. This suggests a scenario which explains the origin of the exotic $C$-AF order observed in YVO$_3$ in the regime of intermediate temperatures and allows one to specify the necessary ingredients of a more complete future theory.Comment: 23 pages, 15 figure

Immersed boundary-finite element model of fluid-structure interaction in the aortic root

It has long been recognized that aortic root elasticity helps to ensure efficient aortic valve closure, but our understanding of the functional importance of the elasticity and geometry of the aortic root continues to evolve as increasingly detailed in vivo imaging data become available. Herein, we describe fluid-structure interaction models of the aortic root, including the aortic valve leaflets, the sinuses of Valsalva, the aortic annulus, and the sinotubular junction, that employ a version of Peskin's immersed boundary (IB) method with a finite element (FE) description of the structural elasticity. We develop both an idealized model of the root with three-fold symmetry of the aortic sinuses and valve leaflets, and a more realistic model that accounts for the differences in the sizes of the left, right, and noncoronary sinuses and corresponding valve cusps. As in earlier work, we use fiber-based models of the valve leaflets, but this study extends earlier IB models of the aortic root by employing incompressible hyperelastic models of the mechanics of the sinuses and ascending aorta using a constitutive law fit to experimental data from human aortic root tissue. In vivo pressure loading is accounted for by a backwards displacement method that determines the unloaded configurations of the root models. Our models yield realistic cardiac output at physiological pressures, with low transvalvular pressure differences during forward flow, minimal regurgitation during valve closure, and realistic pressure loads when the valve is closed during diastole. Further, results from high-resolution computations demonstrate that IB models of the aortic valve are able to produce essentially grid-converged dynamics at practical grid spacings for the high-Reynolds number flows of the aortic root

Theory of NMR chemical shift in an electronic state with arbitrary degeneracy

We present a theory of nuclear magnetic resonance (NMR) shielding tensors for electronic states with arbitrary degeneracy. The shieldings are here expressed in terms of generalized Zeeman ($g^{(k)}$) and hyperfine ($A^{(k)}$) tensors, of all ranks $k$ allowed by the size of degeneracy. Contrary to recent proposals [T. O. Pennanen and J. Vaara, Phys. Rev. Lett. 100, 133002 (2008)], our theory is valid in the strong spin-orbit coupling limit. Ab initio calculations for the 4-fold degenerate $\Gamma_8$ ground state of lanthanide-doped fluorite crystals CaF$_2$:Ln (Ln = Pr$^{2+}$, Nd$^{3+}$, Sm$^{3+}$, and Dy$^{3+}$) show that previously neglected contributions can account for more than 50% of the paramagnetic shift.Comment: Supporting information included; 5 pages; new figure adde

Optical response of ferromagnetic YTiO_3 studied by spectral ellipsometry

We have studied the temperature dependence of spectroscopic ellipsometry spectra of an electrically insulating, nearly stoichiometric YTiO_3 single crystal with ferromagnetic Curie temperature T_C = 30 K. The optical response exhibits a weak but noticeable anisotropy. Using a classical dispersion analysis, we identify three low-energy optical bands at 2.0, 2.9, and 3.7 eV. Although the optical conductivity spectra are only weakly temperature dependent below 300 K, we are able to distinguish high- and low-temperature regimes with a distinct crossover point around 100 K. The low-temperature regime in the optical response coincides with the temperature range in which significant deviations from Curie-Weiss mean field behavior are observed in the magnetization. Using an analysis based on a simple superexchange model, the spectral weight rearrangement can be attributed to intersite d_i^1d_j^1 \longrightarrow d_i^2d_j^0 optical transitions. In particular, Kramers-Kronig consistent changes in optical spectra around 2.9 eV can be associated with the high-spin-state (^3T_1) optical transition. This indicates that other mechanisms, such as weakly dipole-allowed p-d transitions and/or exciton-polaron excitations, can contribute significantly to the optical band at 2 eV. The recorded optical spectral weight gain of 2.9 eV optical band is significantly suppressed and anisotropic, which we associate with complex spin-orbit-lattice phenomena near ferromagnetic ordering temperature in YTiO_3

Amplitude equations for systems with long-range interactions

We derive amplitude equations for interface dynamics in pattern forming systems with long-range interactions. The basic condition for the applicability of the method developed here is that the bulk equations are linear and solvable by integral transforms. We arrive at the interface equation via long-wave asymptotics. As an example, we treat the Grinfeld instability, and we also give a result for the Saffman-Taylor instability. It turns out that the long-range interaction survives the long-wave limit and shows up in the final equation as a nonlocal and nonlinear term, a feature that to our knowledge is not shared by any other known long-wave equation. The form of this particular equation will then allow us to draw conclusions regarding the universal dynamics of systems in which nonlocal effects persist at the level of the amplitude description.Comment: LaTeX source, 12 pages, 4 figures, accepted for Physical Review