Structural schemes for one dimension stationary equations

In this paper, we propose a new paradigm for finite differences numerical methods, based on compact schemes to provide high order accurate approximations of a smooth solution. The method involves its derivatives approximations at the grid points and the construction of structural equations deriving from the kernels of a matrix that gathers the variables belonging to a small stencil. Numerical schemes involve combinations of physical equations and the structural relations. We have analysed the spectral resolution of the most common structural equations and performed numerical tests to address both the stability and accuracy issues for popular linear and non-linear problems. Several benchmarks are presented that ensure that the developed technology can cope with several problems that may involve non-linearity.S. Clain acknowledges the financial support by Portuguese Funds through Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UIDB/00324/2020. R. M. S. Pereira acknowledges the financial support by Portuguese Funds through Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UIDB/04650/2020. P. A. Pereira acknowledges the financial support by Portuguese Funds through Foundation for Science and Technology (FCT) in the framework of the Strategic Funding UIDB/00013/2020. Diogo Lopes acknowledges the financial support by national funds (PIDDAC), through the FCT – Fundação para a Ciência e a Tecnologia and FCT/MCTES under the scope of the projects UIDB/05549/2020 and UIDP/05549/2020. S. Clain and R. M.Pereira acknowledge the financial support by FEDER – Fundo Europeu de Desenvolvimento Regional, through COMPETE 2020 – Programa Operacional Fatores de Competitividade, and the National Funds through FCT, project N◦. POCI-01-0145-FEDER-028118

Thermodynamic Properties of the 2N-Piece Relativistic String

The thermodynamic free energy F(\beta) is calculated for a gas consisting of the transverse oscillations of a piecewise uniform bosonic string. The string consists of 2N parts of equal length, of alternating type I and type II material, and is relativistic in the sense that the velocity of sound everywhere equals the velocity of light. The present paper is a continuation of two earlier papers, one dealing with the Casimir energy of a 2N--piece string [I. Brevik and R. Sollie (1997)], and another dealing with the thermodynamic properties of a string divided into two (unequal) parts [I. Brevik, A. A. Bytsenko and H. B. Nielsen (1998)]. Making use of the Meinardus theorem we calculate the asymptotics of the level state density, and show that the critical temperatures in the individual parts are equal, for arbitrary spacetime dimension D. If D=26, we find \beta= (2/N)\sqrt{2\pi /T_{II}}, T_{II} being the tension in part II. Thermodynamic interactions of parts related to high genus g is also considered.Comment: 15 pages, LaTeX, 2 figures. Discussion in section 8 expande

Isotopic signals in an agricultural watershed suggest denitrification is locally intensive in riparian areas but extensive in upland soils

© The Author(s), 2022. This article is distributed under the terms of the Creative Commons Attribution License. The definitive version was published in Sigler, W. A., Ewing, S. A., Wankel, S. D., Jones, C. A., Leuthold, S., Brookshire, E. N. J., & Payn, R. A. Isotopic signals in an agricultural watershed suggest denitrification is locally intensive in riparian areas but extensive in upland soils. Biogeochemistry, 158, (2022): 251–268, https://doi.org/10.1007/s10533-022-00898-9.Nitrogen loss from cultivated soils threatens the economic and environmental sustainability of agriculture. Nitrate (NO3−) derived from nitrification of nitrogen fertilizer and ammonified soil organic nitrogen may be lost from soils via denitrification, producing dinitrogen gas (N2) or the greenhouse gas nitrous oxide (N2O). Nitrate that accumulates in soils is also subject to leaching loss, which can degrade water quality and make NO3− available for downstream denitrification. Here we use patterns in the isotopic composition of NO3− observed from 2012 to 2017 to characterize N loss to denitrification within soils, groundwater, and stream riparian corridors of a non-irrigated agroecosystem in the northern Great Plains (Judith River Watershed, Montana, USA). We find evidence for denitrification across these domains, expressed as a positive linear relationship between δ15N and δ18O values of NO3−, as well as increasing δ15N values with decreasing NO3− concentration. In soils, isotopic evidence of denitrification was present during fallow periods (no crop growing), despite net accumulation of NO3− from the nitrification of ammonified soil organic nitrogen. We combine previous results for soil NO3− mass balance with δ15N mass balance to estimate denitrification rates in soil relative to groundwater and streams. Substantial denitrification from soils during fallow periods may be masked by nitrification of ammonified soil organic nitrogen, representing a hidden loss of soil organic nitrogen and an under-quantified flux of N to the atmosphere. Globally, cultivated land spends ca. 50% of time in a fallow condition; denitrification in fallow soils may be an overlooked but globally significant source of agricultural N2O emissions, which must be reduced along-side other emissions to meet Paris Agreement goals for slowing global temperature increase.National Institute of Food and Agriculture, 2011–51130-31121, S. A. Ewing, 2011, S. A. Ewing, 2016–67026-25067, S. A. Ewing, Montana State University Extension, Montana Fertilizer Advisory Committee, Montana Agricultural Experiment Station, Montana State University Vice President of Research, Montana State University College of Agriculture, Montana Institute on Ecosystems, NSF EPSCoR, OIA-1757351, S. A. Ewing, OIA-1443108, S. A. Ewing, EPS-110134, S. A. Ewing

A Very High-Order Accurate Staggered Finite Volume Scheme for the Stationary Incompressible Navier–Stokes and Euler Equations on Unstructured Meshes

International audienceWe propose a sixth-order staggered finite volume scheme based on polynomial reconstructions to achieve high accurate numerical solutions for the incompressible Navier-Stokes and Euler equations. The scheme is equipped with a fixed-point algorithm with solution relaxation to speed-up the convergence and reduce the computation time. Numerical tests are provided to assess the effectiveness of the method to achieve up to sixth-order con-2 Ricardo Costa et al. vergence rates. Simulations for the benchmark lid-driven cavity problem are also provided to highlight the benefit of the proposed high-order scheme

Etude rhéologique et thermique d'une boucle de réfrigération secondaire par coulis d'hydrates

14e édition du congrès de la Société française du génie des procédés, Lyon, FRA, 08-/10/2013 - 10/10/2013International audienceLes fluides réfrigérants classiques sont néfastes pour l'environnement en raison de leur potentiel de réchauffement global (GWP), c'est pourquoi leur utilisation doit être réduite. L'une des solutions est d'employer des fluides frigoporteurs diphasiques, comme les coulis d'hydrates, pour transporter le froid. Le travail réalisé a pour objectif d'étudier les propriétés rhéologiques et thermiques des coulis de CO2. Le dispositif expérimental est constitué d'une boucle pilote permettant la circulation des fluides. Les hydrates sont formés par refroidissement à des températures de l'ordre de 275 K et des pressions allant jusqu'à 3 MPa. Les coefficients d'échange thermique locaux et moyens du coulis ont également été évalués par l'utilisation d'un tube chauffant. La rhéologie a montré que le coulis présentait un comportement de type rhéofluidifiant pour des fractions d'hydrates en volume allant jusqu'à 22 %. L'étude thermique a quant à elle montré que le coulis présentait des coefficients d'échange locaux de l'ordre de 2900 W.m-2.K-1 pour une fraction en hydrates de 19 %, ce qui est supérieur à l'eau et légèrement plus élevé que le coulis de glace. Ainsi, ces résultats permettent de mettre en évidence les bonnes capacités du coulis d'hydrates à stocker, à véhiculer et à restituer l'énergie emmagasinée

Comparative structural and evolutionary analyses predict functional sites in the artemisinin resistance malaria protein K13

Numerous mutations in the Plasmodium falciparum Kelch13 (K13) protein confer resistance to artemisinin derivatives, the current front-line antimalarial drugs. K13 is an essential protein that contains BTB and Kelch-repeat propeller (KREP) domains usually found in E3 ubiquitin ligase complexes that target substrate protein(s) for ubiquitin-dependent degradation. K13 is thought to bind substrate proteins, but its functional/interaction sites and the structural alterations associated with artemisinin resistance mutations remain unknown. Here, we screened for the most evolutionarily conserved sites in the protein structure of K13 as indicators of structural and/or functional constraints. We inferred structure-dependent substitution rates at each amino acid site of the highly conserved K13 protein during the evolution of Apicomplexa parasites. We found two solvent-exposed patches of extraordinarily conserved sites likely involved in protein-protein interactions, one in BTB and the other one in KREP. The conserved patch in K13 KREP overlaps with a shallow pocket that displays a differential electrostatic surface potential, relative to neighboring sites, and that is rich in serine and arginine residues. Comparative structural and evolutionary analyses revealed that these properties were also found in the functionally-validated shallow pocket of other KREPs including that of the cancer-related KEAP1 protein. Finally, molecular dynamics simulations carried out on PfK13 R539T and C580Y artemisinin resistance mutant structures revealed some local structural destabilization of KREP but not in its shallow pocket. These findings open new avenues of research on one of the most enigmatic malaria proteins with the utmost clinical importance

Second-order finite volume with hydrostatic reconstruction for tsunami simulation

Tsunami modeling commonly accepts the shallow water system as governing equations where the major difficulty is the correct treatment of the nonconservative term due to bathymetry variations. The finite volume method for solving the shallow water equations with such source terms has received great attention in the two last decades. The built-in conservation property, the capacity to correctly treat discontinuities, and the ability to handle complex bathymetry configurations preserving some steady state configurations (well-balanced scheme) make the method very efficient. Nevertheless, it is still a challenge to build an efficient numerical scheme, with very few numerical artifacts (e.g., small numerical diffusion, correct propagation of the discontinuities, accuracy, and robustness), to be used in an operational environment, and that is able to better capture the dynamics of the wet-dry interface and the physical phenomena that occur in the inundation area. In the first part of this paper, we present a new second-order finite volume code. The code is developed for the shallow water equations with a nonconservative term based on the hydrostatic reconstruction technology to achieve a well-balanced scheme and an adequate dry/wet interface treatment. A detailed presentation of the numerical method is given. In the second part of the paper, we highlight the advantages of the new numerical technique. We benchmark the numerical code against analytical, experimental, and field results to assess the robustness and the accuracy of the numerical code. Finally, we use the 28 February 1969 North East Atlantic tsunami to check the performance of the code with real data.Historical data for Cascais and Lagos (1969 Lisbon Tsunami) are available at http://www.dgterritorio.pt/cartografia_e_geodesia/geodesia/redes_geodesicas/rede_maregrafica/. The tagus estuary data (typewriter document) are available at the Dom Luiz Institute library http://idl.ul.pt/node/33. This work is funded by the Portugal-France research agreement, through the research project GEONUM FCT-ANR/MAT-NAN/0122/2012. This research was financed by Portuguese Funds through FCT-Fundacao para a Ciencia e a Tecnologia, within the Project UID/MAT/00013/2013