Magnetic states of linear defects in graphene monolayers: effects of strain and interaction

The combined effects of defect-defect interaction and of uniaxial or biaxial strains of up to 10\% on the development of magnetic states on the defect-core-localized quasi-one-dimensional electronic states generated by the so-called 558 linear extended defect in graphene monolayers are investigated by means of {\it ab initio} calculations. Results are analyzed on the basis of the heuristics of the Stoner criterion. We find that conditions for the emergence of magnetic states on the 558 defect can be tuned by uniaxial tensile parallel strains (along the defect direction) at both limits of isolated and interacting 558 defects. Parallel strains are shown to lead to two cooperative effects that favor the emergence of itinerant magnetism: enhancement of the DOS of the resonant defect states in the region of the Fermi level and tuning of the Fermi level to the maximum of the related DOS peak. A perpendicular strain is likewise shown to enhance the DOS of the defect states, but it also effects a detunig of the Fermi level that shifts away from the maximum of the DOS of the defect states, which inhibts the emergence of magnetic states. As a result, under biaxial strains the stabilization of a magnetic state depends on the relative magnitudes of the two components of strain.Comment: 9 pages 8 figure

Global Research Alliance N2O chamber methodology guidelines : Summary of modeling approaches

Acknowledgements Funding for this publication was provided by the New Zealand Government to support the objectives of the Livestock Research Group of the Global Research Alliance on Agricultural Greenhouse Gases. Individual authors work contribute to the following projects for which support has been received: Climate smart use of Norwegian organic soils (MYR, 2017-2022) project funded by the Research Council of Norway (decision no. 281109); Scottish Government's Strategic Research Programme, SuperG (under EU Horizon 2020 programme); DEVIL (NE/M021327/1), Soils-R-GRREAT (NE/P019455/1) and the EU H2020 project under Grant Agreement 774378—Coordination of International Research Cooperation on Soil Carbon Sequestration in Agriculture (CIRCASA); to project J-001793, Science and Technology Branch, Agriculture and Agri-Food Canada; and New Zealand Ministry of Business, Innovation and Employment (MBIE) core funding. Thanks to Alasdair Noble and the anonymous reviewers for helpful comments on a draft of this paper and to Anne Austin for editing services.Peer reviewedPublisher PD

Global Research Alliance N2 O chamber methodology guidelines:Introduction, with health and safety considerations

Non-steady-state (NSS) chamber techniques have been used for decades to measure nitrous oxide (N₂O) fluxes from agricultural soils. These techniques are widely used because they are relatively inexpensive, easy to adopt, versatile, and adaptable to varying conditions. Much of our current understanding of the drivers of N₂O emissions is based on studies using NSS chambers. These chamber techniques require decisions regarding multiple methodological aspects (e.g., chamber materials and geometry, deployment, sample analysis, and data and statistical analysis), each of which may significantly affect the results. Variation in methodological details can lead to challenges in comparing results between studies and assessment of reliability and uncertainty. Therefore, the New Zealand Government, in support of the objectives of the Livestock Research Group of the Global Research Alliance on Agricultural Greenhouse Gases (GRA), funded two international projects to, first, develop standardized guidelines on the use of NSS chamber techniques and, second, refine them based on the most up to date knowledge and methods. This introductory paper summarizes a collection of papers that represent the revised guidelines. Each article summarizes existing knowledge and provides guidance and minimum requirements on chamber design, deployment, sample collection, storage and analysis, automated chambers, flux calculations, statistical analysis, emission factor estimation and data reporting, modeling, and “gap-filling” approaches. The minimum requirements are not meant to be highly prescriptive but instead provide researchers with clear direction on best practices and factors that need to be considered. Health and safety considerations of NSS chamber techniques are also provided with this introductory paper

Evaluating the Potential of Legumes to Mitigate N2_{2}O Emissions From Permanent Grassland Using Process-Based Models

A potential strategy for mitigating nitrous oxide (N$_{2}$O) emissions from permanent grasslands is the partial substitution of fertilizer nitrogen (N$_{fert}$) with symbiotically fixed nitrogen (N$_{symb}$) from legumes. The input of N$_{symb}$ reduces the energy costs of producing fertilizer and provides a supply of nitrogen (N) for plants that is more synchronous to plant demand than occasional fertilizer applications. Legumes have been promoted as a potential N$_{2}$O mitigation strategy for grasslands, but evidence to support their efficacy is limited, partly due to the difficulty in conducting experiments across the large range of potential combinations of legume proportions and fertilizer N inputs. These experimental constraints can be overcome by biogeochemical models that can vary legume‐fertilizer combinations and subsequently aid the design of targeted experiments. Using two variants each of two biogeochemical models (APSIM and DayCent), we tested the N$_{2}$O mitigation potential and productivity of full factorial combinations of legume proportions and fertilizer rates for five temperate grassland sites across the globe. Both models showed that replacing fertilizer with legumes reduced N$_{2}$O emissions without reducing productivity across a broad range of legume‐fertilizer combinations. Although the models were consistent with the relative changes of N$_{2}$O emissions compared to the baseline scenario (200 kg N ha$^{-1}$ yr$^{-1}$; no legumes), they predicted different levels of absolute N$_{2}$O emissions and thus also of absolute N$_{2}$O emission reductions; both were greater in DayCent than in APSIM. We recommend confirming these results with experimental studies assessing the effect of clover proportions in the range 30–50% and ≤150 kg N ha$^{-1}$ yr$^{-1}$ input as these were identified as best‐bet climate smart agricultural practices

Warming and redistribution of nitrogen inputs drive an increase in terrestrial nitrous oxide emission factor

Anthropogenic nitrogen inputs cause major negative environmental impacts, including emissions of the important greenhouse gas N₂O. Despite their importance, shifts in terrestrial N loss pathways driven by global change are highly uncertain. Here we present a coupled soil-atmosphere isotope model (IsoTONE) to quantify terrestrial N losses and N₂O emission factors from 1850-2020. We find that N inputs from atmospheric deposition caused 51% of anthropogenic N₂O emissions from soils in 2020. The mean effective global emission factor for N₂O was 4.3 ± 0.3% in 2020 (weighted by N inputs), much higher than the surface area-weighted mean (1.1 ± 0.1%). Climate change and spatial redistribution of fertilisation N inputs have driven an increase in global emission factor over the past century, which accounts for 18% of the anthropogenic soil flux in 2020. Predicted increases in fertilisation in emerging economies will accelerate N₂O-driven climate warming in coming decades, unless targeted mitigation measures are introduced

Ensemble modelling, uncertainty and robust predictions of organic carbon in long-term bare-fallow soils

ACKNOWLEDGEMENTS This study was supported by the project “C and N models inter-comparison and improvement to assess management options for GHG mitigation in agro-systems worldwide” (CN-MIP, 2014- 2017), which received funding by a multi-partner call on agricultural greenhouse gas research of the Joint Programming Initiative ‘FACCE’ through national financing bodies. S. Recous, R. Farina, L. Brilli, G. Bellocchi and L. Bechini received mobility funding by way of the French Italian GALILEO programme (CLIMSOC project). The authors acknowledge particularly the data holders for the Long Term Bare-Fallows, who made their data available and provided additional information on the sites: V. Romanenkov, B.T. Christensen, T. Kätterer, S. Houot, F. van Oort, A. Mc Donald, as well as P. Barré. The input of B. Guenet and C. Chenu contributes to the ANR “Investissements d’avenir” programme with the reference CLAND ANR-16-CONV-0003. The input of P. Smith and C. Chenu contributes to the CIRCASA project, which received funding from the European Union's Horizon 2020 Research and Innovation Programme under grant agreement no 774378 and the projects: DEVIL (NE/M021327/1) and Soils‐R‐GRREAT (NE/P019455/1). The input of B. Grant and W. Smith was funded by Science and Technology Branch, Agriculture and Agri-Food Canada, under the scope of project J-001793. The input of A. Taghizadeh-Toosi was funded by Ministry of Environment and Food of Denmark as part of the SINKS2 project. The input of M. Abdalla contributes to the SUPER-G project, which received funding from the European Union's Horizon 2020 Research and Innovation Programme under grant agreement no 774124.Peer reviewedPostprin