Formulation and performance of variational integrators for rotating bodies

Variational integrators are obtained for two mechanical systems whose configuration spaces are, respectively, the rotation group and the unit sphere. In the first case, an integration algorithm is presented for Euler’s equations of the free rigid body, following the ideas of Marsden et al. (Nonlinearity 12:1647–1662, 1999). In the second example, a variational time integrator is formulated for the rigid dumbbell. Both methods are formulated directly on their nonlinear configuration spaces, without using Lagrange multipliers. They are one-step, second order methods which show exact conservation of a discrete angular momentum which is identified in each case. Numerical examples illustrate their properties and compare them with existing integrators of the literature

Intentional weight loss in overweight and obese individuals and cognitive function: a systematic review and meta-analysis.

High adiposity in middle age is associated with higher dementia risk. The association between weight loss and cognitive function in older adults is still controversial. A meta-analysis was undertaken to estimate the effectiveness of intentional weight loss on cognitive function in overweight and obese adults. A structured strategy was used to search randomized and non-randomized studies reporting the effect of intentional and significant weight loss on cognitive function in overweight and obese subjects. Information on study design, age, nutritional status, weight-loss strategy, weight lost and cognitive testing was extracted. A random-effect meta-analysis was conducted to obtain summary effect estimates for memory and attention-executive domains. Twelve studies met inclusion criteria. Seven were randomized trials and the remaining five included a control group. A low-order significant effect was found for an improvement in cognitive performance with weight loss in memory (effect size 0.13, 95% CI 0.00-0.26, P=0.04) and attention/executive functioning (effect size 0.14, 95% CI 0.01-0.27, P<0.001). Studies were heterogeneous in study design, sample selection, weight-loss intervention and assessment of cognitive function. Weight loss appears to be associated with low-order improvements in executive/attention functioning and memory in obese but not in overweight individual

A dynamical trichotomy for structured populations experiencing positive density-dependence in stochastic environments

Positive density-dependence occurs when individuals experience increased survivorship, growth, or reproduction with increased population densities. Mechanisms leading to these positive relationships include mate limitation, saturating predation risk, and cooperative breeding and foraging. Individuals within these populations may differ in age, size, or geographic location and thereby structure these populations. Here, I study structured population models accounting for positive density-dependence and environmental stochasticity i.e. random fluctuations in the demographic rates of the population. Under an accessibility assumption (roughly, stochastic fluctuations can lead to populations getting small and large), these models are shown to exhibit a dynamical trichotomy: (i) for all initial conditions, the population goes asymptotically extinct with probability one, (ii) for all positive initial conditions, the population persists and asymptotically exhibits unbounded growth, and (iii) for all positive initial conditions, there is a positive probability of asymptotic extinction and a complementary positive probability of unbounded growth. The main results are illustrated with applications to spatially structured populations with an Allee effect and age-structured populations experiencing mate limitation

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

An effective theory for jet propagation in dense QCD matter: jet broadening and medium-induced bremsstrahlung

Two effects, jet broadening and gluon bremsstrahlung induced by the propagation of a highly energetic quark in dense QCD matter, are reconsidered from effective theory point of view. We modify the standard Soft Collinear Effective Theory (SCET) Lagrangian to include Glauber modes, which are needed to implement the interactions between the medium and the collinear fields. We derive the Feynman rules for this Lagrangian and show that it is invariant under soft and collinear gauge transformations. We find that the newly constructed theory SCET$_{\rm G}$ recovers exactly the general result for the transverse momentum broadening of jets. In the limit where the radiated gluons are significantly less energetic than the parent quark, we obtain a jet energy-loss kernel identical to the one discussed in the reaction operator approach to parton propagation in matter. In the framework of SCET$_{\rm G}$ we present results for the fully-differential bremsstrahlung spectrum for both the incoherent and the Landau-Pomeranchunk-Migdal suppressed regimes beyond the soft-gluon approximation. Gauge invariance of the physics results is demonstrated explicitly by performing the calculations in both the light-cone and covariant $R_{\xi}$ gauges. We also show how the process-dependent medium-induced radiative corrections factorize from the jet production cross section on the example of the quark jets considered here.Comment: 52 pages, 15 pdf figures, as published in JHE

On local linearization of control systems

We consider the problem of topological linearization of smooth (C infinity or real analytic) control systems, i.e. of their local equivalence to a linear controllable system via point-wise transformations on the state and the control (static feedback transformations) that are topological but not necessarily differentiable. We prove that local topological linearization implies local smooth linearization, at generic points. At arbitrary points, it implies local conjugation to a linear system via a homeomorphism that induces a smooth diffeomorphism on the state variables, and, except at "strongly" singular points, this homeomorphism can be chosen to be a smooth mapping (the inverse map needs not be smooth). Deciding whether the same is true at "strongly" singular points is tantamount to solve an intriguing open question in differential topology

Reliability of a 1-week recall period for the Medical Outcomes Study Sleep Scale (MOS-SS) in patients with fibromyalgia

<p>Abstract</p> <p>Objective</p> <p>To evaluate the reliability of a one-week versus a four-week recall period of the Medical Outcomes Study Sleep Scale (MOS-SS) in patients with fibromyalgia (FM).</p> <p>Methods</p> <p>The MOS-SS was administered by mail to patients with a confirmed diagnosis of FM and a current pain rating of > 2 (0–10 point numerical rating scale) recruited through newspapers, support groups, and the Internet. Reliability of MOS-SS subscale domains was evaluated using test-retest methodology separated by a 1–3 day interval for the 4-week recall period and a 7-day interval for the 1-week recall period. Patient Impression of Change was evaluated for sleep, and for patients with no change, the intraclass correlation coefficient (ICC) and the Pearson correlation coefficient was calculated for MOS-SS subscales.</p> <p>Results</p> <p>Of 129 patients enrolled, 91.3% were female, mean age was 49.4 ± 11.0 years; self-rated FM severity was moderate-to-severe in 88.1% of patients. MOS-SS subscale scores were similar for both recall periods with little variation between test-retest. The 9-item Sleep Problems Index scores ranged from 57.2 ± 14.5 to 61.9 ± 15.8 across all assessments and demonstrated high reliability which was similar for the 1-week (ICC 0.81) and 4-week (ICC 0.89) recall periods. For the other MOS-SS subscales, the 1-week recall period also showed good reliability, which was consistent for the ICC and Pearson correlation coefficients.</p> <p>Conclusion</p> <p>A 1-week recall period is adequately reliable for use of the MOS-SS in studies evaluating sleep disturbance in patients with FM.</p

Single Spin Asymmetry in Lepton Angular Distribution of Drell-Yan Processes

We study the single spin asymmetry in the lepton angular distribution of Drell-Yan processes in the frame work of collinear factorization. The asymmetry has been studied in the past and different results have been obtained. In our study we take an approach different than that used in the existing study. We explicitly calculate the transverse-spin dependent part of the differential cross-section with suitable parton states. Because the spin is transverse, one has to take multi-parton states for the purpose. Our result agrees with one of the existing results. A possible reason for the disagreement with others is discussed.Comment: Typos corrected. Conclusions unchange

A mean square chain rule and its application in solving the random Chebyshev differential equation

[EN] In this paper a new version of the chain rule for calculat- ing the mean square derivative of a second-order stochastic process is proven. This random operational calculus rule is applied to construct a rigorous mean square solution of the random Chebyshev differential equation (r.C.d.e.) assuming mild moment hypotheses on the random variables that appear as coefficients and initial conditions of the cor- responding initial value problem. Such solution is represented through a mean square random power series. Moreover, reliable approximations for the mean and standard deviation functions to the solution stochastic process of the r.C.d.e. are given. Several examples, that illustrate the theoretical results, are included.This work was completed with the support of our TEX-pert.Cortés, J.; Villafuerte, L.; Burgos-Simon, C. (2017). A mean square chain rule and its application in solving the random Chebyshev differential equation. Mediterranean Journal of Mathematics. 14(1):14-35. https://doi.org/10.1007/s00009-017-0853-6S1435141Calbo, G., Cortés, J.C., Jódar, L., Villafuerte, L.: Analytic stochastic process solutions of second-order random differential equations. Appl. Math. Lett. 23(12), 1421–1424 (2010). doi: 10.1016/j.aml.2010.07.011El-Tawil, M.A., El-Sohaly, M.: Mean square numerical methods for initial value random differential equations. Open J. Discret. Math. 1(1), 164–171 (2011). doi: 10.4236/ojdm.2011.12009Khodabin, M., Maleknejad, K., Rostami, K., Nouri, M.: Numerical solution of stochastic differential equations by second order Runge Kutta methods. Math. Comp. Model. 59(9–10), 1910–1920 (2010). doi: 10.1016/j.mcm.2011.01.018Santos, L.T., Dorini, F.A., Cunha, M.C.C.: The probability density function to the random linear transport equation. Appl. Math. Comput. 216(5), 1524–1530 (2010). doi: 10.1016/j.amc.2010.03.001González Parra, G., Chen-Charpentier, B.M., Arenas, A.J.: Polynomial Chaos for random fractional order differential equations. Appl. Math. Comput. 226(1), 123–130 (2014). doi: 10.1016/j.amc.2013.10.51El-Beltagy, M.A., El-Tawil, M.A.: Toward a solution of a class of non-linear stochastic perturbed PDEs using automated WHEP algorithm. Appl. Math. Model. 37(12–13), 7174–7192 (2013). doi: 10.1016/j.apm.2013.01.038Nouri, K., Ranjbar, H.: Mean square convergence of the numerical solution of random differential equations. Mediterran. J. Math. 12(3), 1123–1140 (2015). doi: 10.1007/s00009-014-0452-8Villafuerte, L., Braumann, C.A., Cortés, J.C., Jódar, L.: Random differential operational calculus: theory and applications. Comp. Math. Appl. 59(1), 115–125 (2010). doi: 10.1016/j.camwa.2009.08.061Øksendal, B.: Stochastic differential equations: an introduction with applications, 6th edn. Springer, Berlin (2007)Soong, T.T.: Random differential equations in science and engineering. Academic Press, New York (1973)Wong, B., Hajek, B.: Stochastic processes in engineering systems. Springer Verlag, New York (1985)Arnold, L.: Stochastic differential equations. Theory and applications. John Wiley, New York (1974)Cortés, J.C., Jódar, L., Camacho, J., Villafuerte, L.: Random Airy type differential equations: mean square exact and numerical solutions. Comput. Math. Appl. 60(5), 1237–1244 (2010). doi: 10.1016/j.camwa.2010.05.046Calbo, G., Cortés, J.C., Jódar, L.: Random Hermite differential equations: mean square power series solutions and statistical properties. Appl. Math. Comp. 218(7), 3654–3666 (2011). doi: 10.1016/j.amc.2011.09.008Calbo, G., Cortés, J.C., Jódar, L., Villafuerte, L.: Solving the random Legendre differential equation: Mean square power series solution and its statistical functions. Comp. Math. Appl. 61(9), 2782–2792 (2010). doi: 10.1016/j.camwa.2011.03.045Cortés, J.C., Jódar, L., Company, R., Villafuerte, L.: Laguerre random polynomials: definition, differential and statistical properties. Utilit. Math. 98, 283–293 (2015)Cortés, J.C., Jódar, L., Villafuerte, L.: Mean square solution of Bessel differential equation with uncertainties. J. Comp. Appl. Math. 309, 383–395 (2017). doi: 10.1016/j.cam.2016.01.034Golmankhaneh, A.K., Porghoveh, N.A., Baleanu, D.: Mean square solutions of second-order random differential equations by using homotopy analysis method. Romanian Reports Physics 65(2), 1237–1244 (2013)Khalaf, S.L.: Mean square solutions of second-order random differential equations by using homotopy perturbation method. Int. Math. Forum 6(48), 2361–2370 (2011)Khudair, A.R., Ameen, A.A., Khalaf, S.L.: Mean square solutions of second-order random differential equations by using Adomian decomposition method. Appl. Math. Sci. 5(49), 2521–2535 (2011)Agarwal, R.P., O’Regan, D.: Ordinary and partial differential equations. Springer, New York (2009

Assessing the exposure risk and impacts of pharmaceuticals in the environment on individuals and ecosystems.

The use of human and veterinary pharmaceuticals is increasing. Over the past decade, there has been a proliferation of research into potential environmental impacts of pharmaceuticals in the environment. A Royal Society-supported seminar brought together experts from diverse scientific fields to discuss the risks posed by pharmaceuticals to wildlife. Recent analytical advances have revealed that pharmaceuticals are entering habitats via water, sewage, manure and animal carcases, and dispersing through food chains. Pharmaceuticals are designed to alter physiology at low doses and so can be particularly potent contaminants. The near extinction of Asian vultures following exposure to diclofenac is the key example where exposure to a pharmaceutical caused a population-level impact on non-target wildlife. However, more subtle changes to behaviour and physiology are rarely studied and poorly understood. Grand challenges for the future include developing more realistic exposure assessments for wildlife, assessing the impacts of mixtures of pharmaceuticals in combination with other environmental stressors and estimating the risks from pharmaceutical manufacturing and usage in developing countries. We concluded that an integration of diverse approaches is required to predict 'unexpected' risks; specifically, ecologically relevant, often long-term and non-lethal, consequences of pharmaceuticals in the environment for wildlife and ecosystems