Thermal effects on lattice strain in hcp Fe under pressure

We compute the c/a lattice strain versus temperature for nonmagnetic hcp iron at high pressures using both first-principles linear response quasiharmonic calculations based on the full potential linear-muffin-tin-orbital (LMTO) method and the particle-in-cell (PIC) model for the vibrational partition function using a tight-binding total-energy method. The tight-binding model shows excellent agreement with the all-electron LMTO method. When hcp structure is stable, the calculated geometric mean frequency and Helmholtz free energy of hcp Fe from PIC and linear response lattice dynamics agree very well, as does the axial ratio as a function of temperature and pressure. On-site anharmonicity proves to be small up to the melting temperature, and PIC gives a good estimate of its sign and magnitude. At low pressures, hcp Fe becomes dynamically unstable at large c/a ratios, and the PIC model might fail where the structure approaches lattice instability. The PIC approximation describes well the vibrational behavior away from the instability, and thus is a reasonable approach to compute high temperature properties of materials. Our results show significant differences from earlier PIC studies, which gave much larger axial ratio increases with increasing temperature, or reported large differences between PIC and lattice dynamics results.Comment: 9 figure

First-principles thermoelasticity of bcc iron under pressure

We investigate the elastic and isotropic aggregate properties of ferromagnetic bcc iron as a function of temperature and pressure by computing the Helmholtz free energies for the volume-conserving strained structures using the first-principles linear response linear-muffin-tin-orbital method and the generalized-gradient approximation. We include the electronic excitation contributions to the free energy from the band structures, and phonon contributions from quasi-harmonic lattice dynamics. We make detailed comparisons between our calculated elastic moduli and their temperature and pressure dependences with available experimental and theoretical data.Comment: 5 figures, 2 table

First-principles thermal equation of state and thermoelasticity of hcp Fe at high pressures

We investigate the equation of state and elastic properties of hcp iron at high pressures and high temperatures using first principles linear response linear-muffin-tin-orbital method in the generalized-gradient approximation. We calculate the Helmholtz free energy as a function of volume, temperature, and volume-conserving strains, including the electronic excitation contributions from band structures and lattice vibrational contributions from quasi-harmonic lattice dynamics. We perform detailed investigations on the behavior of elastic moduli and equation of state properties as functions of temperature and pressure, including the pressure-volume equation of state, bulk modulus, the thermal expansion coefficient, the Gruneisen ratio, and the shock Hugoniot. Detailed comparison has been made with available experimental measurements and theoretical predictions.Comment: 33 pages, 12 figure

Bivariate spline interpolation with optimal approximation order

Let be a triangulation of some polygonal domain f c R2 and let S9 (A) denote the space of all bivariate polynomial splines of smoothness r and degree q with respect to A. We develop the first Hermite-type interpolation scheme for S9 (A), q >_ 3r + 2, whose approximation error is bounded above by Kh4+i, where h is the maximal diameter of the triangles in A, and the constant K only depends on the smallest angle of the triangulation and is independent of near-degenerate edges and nearsingular vertices. Moreover, the fundamental functions of our scheme are minimally supported and form a locally linearly independent basis for a superspline subspace of Sr, (A). This shows that the optimal approximation order can be achieved by using minimally supported splines. Our method of proof is completely different from the quasi-interpolation techniques for the study of the approximation power of bivariate splines developed in [71 and [181

Acute cortical blindness caused by pre-eclampsia in the antepartum; posterior reversible encephalopathy syndrome (PRES)

We present a case report of a patient presenting posterior reversible encephalopathy syndrome (PRES), a rare acute neurological condition associated with pre-eclampsia. A possible common aetiology and successful clinical management approach is reported

Anomalous Heat Diffusion

Consider anomalous energy spread in solid phases, i.e., $MSD= \int (x -{\langle x \rangle}_E)^2 \rho_E(x,t)dx \propto t^{\beta}$, as induced by a small initial excess energy perturbation distribution $\rho_{E}(x,t=0)$ away from equilibrium. The associated total thermal equilibrium heat flux autocorrelation function $C_{JJ}(t)$ is shown to obey rigorously the intriguing relation, $d^2 MSD/dt^2 = 2C_{JJ}(t)/(k_BT^2c)$, where $c$ is the specific volumetric heat capacity. Its integral assumes a time-local Helfand-moment relation; i.e. $dMSD/dt|_{t=t_s} = 2/(k_BT^2c)\int_0^{t_s} C_{JJ}(s)ds$, where the chosen cut-off time $t_s$ is determined by the maximal signal velocity for heat transfer. Given the premise that the averaged nonequilibrium heat flux is governed by an anomalous heat conductivity, energy diffusion scaling determines a corresponding anomalous thermal conductivity scaling behaviour

SOTER on ROS: A Run-Time Assurance Framework on the Robot Operating System

We present an implementation of SOTER, a run-time assurance framework for building safe distributed mobile robotic (DMR) systems, on top of the Robot Operating System (ROS). The safety of DMR systems cannot always be guaranteed at design time, especially when complex, off-the-shelf components are used that cannot be verified easily. SOTER addresses this by providing a language-based approach for run-time assurance for DMR systems. SOTER implements the reactive robotic software using the language P, a domain-specific language designed for implementing asynchronous event-driven systems, along with an integrated run-time assurance system that allows programmers to use unfortified components but still provide safety guarantees. We describe an implementation of SOTER for ROS and demonstrate its efficacy using a multi-robot surveillance case study, with multiple run-time assurance modules. Through rigorous simulation, we show that SOTER enabled systems ensure safety, even when using unknown and untrusted components.Comment: 20th International Conference on Runtime Verificatio

Protein Adducts of Iso[4]levuglandin E2, a Product of the Isoprostane Pathway, in Oxidized Low Density Lipoprotein

Levuglandin (LG) E2, a cytotoxic seco prostanoic acid co-generated with prostaglandins by nonenzymatic rearrangements of the cyclooxygenase-derived endoperoxide, prostaglandin H2, avidly binds to proteins. That LGE2-protein adducts can also be generated nonenzymatically is demonstrated by their production during free radical-induced oxidation of low density lipoprotein (LDL). Like oxidized LDL, LGE2-LDL, but not native LDL, undergoes receptor-mediated uptake and impaired processing by macrophage cells. Since radical-induced lipid oxidation produces isomers of prostaglandins, isoprostanes (isoPs), via endoperoxide intermediates, we postulated previously that a similar family of LG isomers, isoLGs, is cogenerated with isoPs. Now iso[4]LGE2-protein epitopes produced by radical-induced oxidation of arachidonic acid in the presence of protein were detected with an enzyme-linked immunosorbent assay. Iso[4]LGE2-protein epitopes are also generated during free radical-induced oxidation of LDL. All of the LGE2isomers generated upon oxidation of LDL are efficiently sequestered by covalent adduction with LDL-based amino groups. The potent electrophilic reactivity of iso-LGs can be anticipated to have biological consequences beyond their obvious potential as markers for specific arachidonate-derived protein modifications that may be of value for the quantitative assessment of oxidative injury

Labour Market and Social Policy in Italy: Challenges and Changes. Bertelsmann Policy Brief #2016/02

vEight years after the outbreak of the financial crisis, Italy has still to cope with and overcome a plethora of economic and social challenges. On top of this, it faces an unfavourable demographic structure and severe disparities between its northern and southern regions. Some promising reforms have recently been enacted, specifically targeting poverty and social exclusion. However, much more remains to be done on the way towards greater economic stability and widely shared prosperity