Normal Mode Determination of Perovskite Crystal Structures with Octahedral Rotations: Theory and Applications

Nuclear site analysis methods are used to enumerate the normal modes of $ABX_{3}$ perovskite polymorphs with octahedral rotations. We provide the modes of the fourteen subgroups of the cubic aristotype describing the Glazer octahedral tilt patterns, which are obtained from rotations of the $BX_{6}$ octahedra with different sense and amplitude about high symmetry axes. We tabulate all normal modes of each tilt system and specify the contribution of each atomic species to the mode displacement pattern, elucidating the physical meaning of the symmetry unique modes. We have systematically generated 705 schematic atomic displacement patterns for the normal modes of all 15 (14 rotated + 1 unrotated) Glazer tilt systems. We show through some illustrative examples how to use these tables to identify the octahedral rotations, symmetric breathing, and first-order Jahn-Teller anti-symmetric breathing distortions of the $BX_{6}$ octahedra, and the associated Raman selection rules. We anticipate that these tables and schematics will be useful in understanding the lattice dynamics of bulk perovskites and would serve as reference point in elucidating the atomic origin of a wide range of physical properties in synthetic perovskite thin films and superlattices.Comment: 17 pages, 3 figures, 17 tables. Supporting information accessed through link specified within manuscrip

Fish Cohort Dynamics: Application of Complementary Modeling Approaches

The recruitment to the adult stock of a fish population is a function of both environmental conditions and the dynamics of juvenile fish cohorts. These dynamics can be quite complicated and involve the size structure of the cohort. Two types of models, i-state distribution models (e.g., partial differential equations) and i-state configuration models (computer simulation models following many individuals simultaneously), have been developed to study this type of question. However, these two model types have not to our knowledge previously been compared in detail. Analytical solutions are obtained for three partial differential equation models of early life-history fish cohorts. Equivalent individual-by-individual computer simulation models are also used. These two approaches can produce similar results, which suggests that one may be able to use the approaches interchangeably under many circumstances. Simple uncorrected stochasticity in daily growth is added to the individual-by-individual models, and it is shown that this produces no significant difference from purely deterministic situations. However, when the stochasticity was temporally correlated such that a fish growing faster than the mean 1 d has a tendency to grow faster than the mean the next day, there can be great differences in the outcomes of the simulations.This research was sponsored in part by the Electric Power Research Institute under contract no. RP2932-2 (DOE no. ERD-87-672) with the U.S. Department of Energy under contract no. DE-AC05-84OR21400 with Martin Marietta Energy Systems, and in part by grant no. NAI6RG0492-01 from the Coastal Ocean Program of the National Oceanic and Atmospheric Administration (NOAA) to the University of North Carolina Sea Grant College Program

Properties of 12^{12}C in the {\it ab initio} nuclear shell-model

We obtain properties of $^{12}$C in the {\it ab initio} no-core nuclear shell-model. The effective Hamiltonians are derived microscopically from the realistic CD-Bonn and the Argonne V8' nucleon-nucleon (NN) potentials as a function of the finite harmonic oscillator basis space. Binding energies, excitation spectra and electromagnetic properties are presented for model spaces up to $5\hbar\Omega$. The favorable comparison with available data is a consequence of the underlying NN interaction rather than a phenomenological fit.Comment: 9 pages, 2 figure

Design and manufacture of a novel system to simulate the biomechanics of basic and pitching shoulder motion

Objectives: Cadaveric models of the shoulder evaluate discrete motion segments using the glenohumeral joint in isolation over a defined trajectory. The aim of this study was to design, manufacture and validate a robotic system to accurately create three-dimensional movement of the upper body and capture it using high-speed motion cameras. Methods: In particular, we intended to use the robotic system to simulate the normal throwing motion in an intact cadaver. The robotic system consists of a lower frame (to move the torso) and an upper frame (to move an arm) using seven actuators. The actuators accurately reproduced planned trajectories. The marker setup used for motion capture was able to determine the six degrees of freedom of all involved joints during the planned motion of the end effector. Results: The testing system demonstrated high precision and accuracy based on the expected versus observed displacements of individual axes. The maximum coefficient of variation for displacement of unloaded axes was less than 0.5% for all axes. The expected and observed actual displacements had a high level of correlation with coefficients of determination of 1.0 for all axes. Conclusions: Given that this system can accurately simulate and track simple and complex motion, there is a new opportunity to study kinematics of the shoulder under normal and pathological conditions in a cadaveric shoulder model

Persistence, extinction and spatio-temporal synchronization of SIRS cellular automata models

Spatially explicit models have been widely used in today's mathematical ecology and epidemiology to study persistence and extinction of populations as well as their spatial patterns. Here we extend the earlier work--static dispersal between neighbouring individuals to mobility of individuals as well as multi-patches environment. As is commonly found, the basic reproductive ratio is maximized for the evolutionary stable strategy (ESS) on diseases' persistence in mean-field theory. This has important implications, as it implies that for a wide range of parameters that infection rate will tend maximum. This is opposite with present results obtained in spatial explicit models that infection rate is limited by upper bound. We observe the emergence of trade-offs of extinction and persistence on the parameters of the infection period and infection rate and show the extinction time having a linear relationship with respect to system size. We further find that the higher mobility can pronouncedly promote the persistence of spread of epidemics, i.e., the phase transition occurs from extinction domain to persistence domain, and the spirals' wavelength increases as the mobility increasing and ultimately, it will saturate at a certain value. Furthermore, for multi-patches case, we find that the lower coupling strength leads to anti-phase oscillation of infected fraction, while higher coupling strength corresponds to in-phase oscillation.Comment: 12page

Fragment size correlations in finite systems - application to nuclear multifragmentation

We present a new method for the calculation of fragment size correlations in a discrete finite system in which correlations explicitly due to the finite extent of the system are suppressed. To this end, we introduce a combinatorial model, which describes the fragmentation of a finite system as a sequence of independent random emissions of fragments. The sequence is accepted when the sum of the sizes is equal to the total size. The parameters of the model, which may be used to calculate all partition probabilities, are the intrinsic probabilities associated with the fragments. Any fragment size correlation function can be built by calculating the ratio between the partition probabilities in the data sample (resulting from an experiment or from a Monte Carlo simulation) and the 'independent emission' model partition probabilities. This technique is applied to charge correlations introduced by Moretto and collaborators. It is shown that the percolation and the nuclear statistical multifragmentaion model ({\sc smm}) are almost independent emission models whereas the nuclear spinodal decomposition model ({\sc bob}) shows strong correlations corresponding to the break-up of the hot dilute nucleus into nearly equal size fragments

Time Serial Analysis of the Induced LEO Environment within the ISS 6A

Anisotropies in the low Earth orbit (LEO) radiation environment were found to influence the thermoluminescence detectors (TLD) dose within the (International Space Station) ISS 7A Service Module. Subsequently, anisotropic environmental models with improved dynamic time extrapolation have been developed including westward and northern drifts using AP8 Min & Max as estimates of the historic spatial distribution of trapped protons in the 1965 and 1970 era, respectively. In addition, a directional dependent geomagnetic cutoff model was derived for geomagnetic field configurations from the 1945 to 2020 time frame. A dynamic neutron albedo model based on our atmospheric radiation studies has likewise been required to explain LEO neutron measurements. The simultaneous measurements of dose and dose rate using four Liulin instruments at various locations in the US LAB and Node 1 has experimentally demonstrated anisotropic effects in ISS 6A and are used herein to evaluate the adequacy of these revised environmental models

Pre-engineering Spaceflight Validation of Environmental Models and the 2005 HZETRN Simulation Code

The HZETRN code has been identified by NASA for engineering design in the next phase of space exploration highlighting a return to the Moon in preparation for a Mars mission. In response, a new series of algorithms beginning with 2005 HZETRN, will be issued by correcting some prior limitations and improving control of propagated errors along with established code verification processes. Code validation processes will use new/improved low Earth orbit (LEO) environmental models with a recently improved International Space Station (ISS) shield model to validate computational models and procedures using measured data aboard ISS. These validated models will provide a basis for flight-testing the designs of future space vehicles and systems of the Constellation program in the LEO environment