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At least 667 records · Page 37

Pedotransfer Functions in Earth System Science: Challenges and Perspectives

Abstract Soil, through its various functions, plays a vital role in the Earth's ecosystems and provides multiple ecosystem services to humanity. Pedotransfer functions (PTFs) are simple to complex knowledge rules that relate available soil information to soil properties and variables that are needed to parameterize soil processes. In this paper, we review the existing PTFs and document the new generation of PTFs developed in the different disciplines of Earth system science. To meet the methodological challenges for a successful application in Earth system modeling, we emphasize that PTF development has to go hand in hand with suitable extrapolation and upscaling techniques such that the PTFs correctly represent the spatial heterogeneity of soils. PTFs should encompass the variability of the estimated soil property or process, in such a way that the estimation of parameters allows for validation and can also confidently provide for extrapolation and upscaling purposes capturing the spatial variation in soils. Most actively pursued recent developments are related to parameterizations of solute transport, heat exchange, soil respiration, and organic carbon content, root density, and vegetation water uptake. Further challenges are to be addressed in parameterization of soil erosivity and land use change impacts at multiple scales. We argue that a comprehensive set of PTFs can be applied throughout a wide range of disciplines of Earth system science, with emphasis on land surface models. Novel sensing techniques provide a true breakthrough for this, yet further improvements are necessary for methods to deal with uncertainty and to validate applications at global scale.

54 ENVIRONMENTAL SCIENCES↗

Globus platform-as-a-service for collaborative science applications

Globus, developed as Software-as-a-Service (SaaS) for research data management, also provides APIs that constitute a flexible and powerful Platform-as-a-Service (PaaS) to which developers can outsource data management activities such as transfer and sharing, as well as identity, profile and group management. By providing these frequently important but always challenging capabilities as a service, accessible over the network, Globus PaaS streamlines web application development and makes it easy for individuals, teams, and institutions to create collaborative applications such as science gateways for science communities. We introduce the capabilities of this platform and review representative applications.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Interdisciplinary research in climate and energy sciences

Due to the complex nature of climate change, interdisciplinary research approaches involving knowledge and skills from a broad range of disciplines have been adopted for studying changes in the climate system as well as strategies for mitigating climate change (i.e., greenhouse gas emissions reductions) and adapting to its impacts on society and natural systems. Harnessing of renewable energy sources to replace fossil fuels is widely regarded as a long-term mitigation strategy that requires the synthesis of knowledge from engineering, technology, and natural and social sciences. In this study, we examine how the adoption of interdisciplinary approaches has evolved over time and in different geographic regions. We conducted a comprehensive literature survey using an evaluation matrix of keywords, in combination with a word cloud analysis, to evaluate the spatiotemporal dynamics of scholarly discourse about interdisciplinary approaches to climate change and renewable energy research and development (R&D). Publications that discuss interdisciplinary approaches to climate change and renewable energy have substantially increased over the last 60 years; it appears, however, that the nature, timing, and focus of these publications vary across countries and through time. Over the most recent three decades, the country-level contribution to interdisciplinary research for climate change has become more evenly distributed, but this was not true for renewable energy research, which remained dominated by the United Sates and a few other major economies. The research topics have also evolved: Water resource management was emphasized from 1990s to 2000s, policy and adaptation were emphasized from the 2000s to 2010 – 2013, while vulnerability became prominent during the most recent years (2010 – 2013). Lastly, our analysis indicates that the rate of growth of interdisciplinary research for renewable energy lags behind that for climate change, possibly because knowledge emanating from climate change science has motivated the subsequent upswing in renewable energy R&D.

54 ENVIRONMENTAL SCIENCES↗

GeoSoilEnviroCARS (Sector 13) at the Advanced Photon Source: a comprehensive synchrotron radiation facility for Earth science research at ambient and extreme conditions

GeoSoilEnviroCARS (GSECARS) is a comprehensive analytical laboratory for Earth and environmental science research using X-ray beams from the Advanced Photon Source, Argonne National Laboratory. State-of-the-art instruments are available for (1) high-pressure/high- or low-temperature diffraction, total scattering, and spectroscopy (Brillouin, Raman, and VIS-IR) using the laser heated diamond anvil cell (DAC); (2) high-pressure/high-temperature diffraction, scattering, and imaging as well as acoustic emission (AE) and ultrasonics using the large-volume press (LVP); (3) powder, single crystal, and surface/interface diffraction; (4) X-ray absorption fine structure spectroscopy; (5) X-ray fluorescence microprobe analysis; and (6) microtomography. As shown here, experiments are facilitated by senior level staff who collaborate on all aspects of the analytical work including experiment design, sample preparation, data collection, data interpretation, and publication preparation. Both technical and scientific synergies occur as a result of the intimate association of the various techniques and scientists experienced in the applications of synchrotron radiation to Earth, environmental, and planetary science problems. The facility includes state-of-the-art instrumentation designed and built in-house, including custom X-ray optics, online and offline laser-based systems, specialized sample environments and positioning systems, as well as pixel-array and multi-crystal energy dispersive X-ray detectors, which are available to be shared among the experimental stations.

36 MATERIALS SCIENCE↗

What can simulation test beds teach us about social science? Results of the ground truth program

The ground truth program used simulations as test beds for social science research methods. The simulations had known ground truth and were capable of producing large amounts of data. This allowed research teams to run experiments and ask questions of these simulations similar to social scientists studying real-world systems, and enabled robust evaluation of their causal inference, prediction, and prescription capabilities. We tested three hypotheses about research effectiveness using data from the ground truth program, specifically looking at the influence of complexity, causal understanding, and data collection on performance. We found some evidence that system complexity and causal understanding influenced research performance, but no evidence that data availability contributed. The ground truth program may be the first robust coupling of simulation test beds with an experimental framework capable of teasing out factors that determine the success of social science research.

97 MATHEMATICS AND COMPUTING↗

Rethinking radiation effects in materials science using the plasma-focused ion beam

This work demonstrates the viability of using a plasma-focused ion beam (PFIB) as a new platform to carry out radiation effects studies in solids. While materials subjected to irradiation in either nuclear reactors or energetic particle accelerators experience limitations with respect to inaccuracies in both flux measurements and lack of precise control of irradiation areas, we demonstrate a new irradiation technique that allows the exposure of a single specimen in multiple areas, at multiple doses, and in site-specific dependencies - all with flux variations on the order of only 1%. This versatile technique also allows materials to be exposed to significantly higher irradiation dose rates than conventional accelerators. To validate the new methodology, we selected the classical example of ion-beam-induced amorphization of pure single-crystal Si. By pioneering the use of the PFIB for radiation effects studies in materials science, we were able to exploit, in both micro- and nanometer-sized detail, the differences in electron image contrast arising from crystalline versus amorphous solid-state phases in classical semiconductors subjected to irradiation, thus providing new insights on amorphization mechanisms. This methodology opens new research frontiers at the fringe of materials science with promising applications beyond the scope of materials at extremes such as in nanopatterning, nanodevices and nanoarchitectonics.

36 MATERIALS SCIENCE↗

BisQue for 3D Materials Science in the Cloud: Microstructure–Property Linkages

Accelerating the design and development of new advanced materials is one of the priorities in modern materials science. These efforts are critically dependent on the development of comprehensive materials cyber-infrastructures which enable effcient data storage, management, sharing, and collaboration as well as integration of computational tools that help establish processing{structure{property relationships. In this contribution, we present implementation of such computational tools into a cloud-based platform called BisQue (Kvilekval et al., 2010). We first describe the current state of BisQue as an open-source platform for multidisciplinary research in the cloud and its potential for 3D materials science. We then demonstrate how new computational tools, primarily aimed at processing{structure{property relationships, can be implemented into the system. Speci cally, in this work, we develop a module for BisQue that enables microstructure-sensitive predictions of effective yield strength of two-phase materials. Towards this end, we present an implementation of a computationally effcient data-driven model into the BisQue platform. The new module is made available online and can be used from a web browser without any special software and with minimal computational requirements on the user end. The capabilities of the module for rapid property screening are demonstrated in case studies with two different methodologies based on datasets containing 3D microstructure information from (i) synthetic generation and (ii) sampling large 3D volumes obtained in experiments.

36 MATERIALS SCIENCE↗

Editorial special issue: Advancing foundational sun-induced chlorophyll fluorescence science

The first research on the possibilities offered by chlorophyll-a fluorescence to track the daily course of CO 2 assimilation by leaves dates back to the last century (Kautsky and Hirsch, 1931). In the second half of the XXth Century, the development of the field of active fluorescence, which relies mainly on the pulse amplitude modulation (PAM) fluorimetry technique, allowed the unraveling of the relationship between the yield of chlorophyll-a fluorescence and photochemistry (linear electron transport), which is modulated by a third process known as non-photochemical quenching (Genty et al., 1989). Since then, active fluorescence has been regularly used in ecophysiology, forestry, and crop sciences to understand the plant response to stress (Schreiber, 2004). Since the beginning of the 2000s, the development of portable field spectrometers allows for measuring passive sun-induced fluorescence (SIF) at strong solar or telluric absorption features, which do not rely on the use of artificial excitation light (e.g., Meroni and Colombo, 2006; Meroni et al., 2009; Perez-Priego et al., 2005). Since then, the field has rapidly evolved, and now fluorescence is measurable with automated field spectrometers in the field (Grossmann et al., 2018; Gu et al., 2019b; Rossini et al., 2010), airborne platforms (Rascher et al., 2015; Zarco-Tejada et al., 2000), and satellites (Guanter et al., 2012; Sun et al., 2018). These advances offer the potential to couple ecosystem-scale measurements of CO 2 fluxes and SIF to probe new aspects related to ecosystem structural impacts on SIF andphotosynthesis processes at different time-scales and on different ecosystems (e.g., Damm et al., 2010; Magney et al., 2019; Porcar-Castell et al., 2021). While SIF has been proven as a good proxy of gross primary productivity (GPP), mainly across large spatial and temporal gradients, a series of studies showed that different factors could confound this relationship, namely different canopy structures (e.g., Dechant et al., 2020; Migliavacca et al., 2017), stress conditions (e.g., Martini et al., 2022; Wieneke et al., 2018; Wohlfahrt et al., 2018), nutritional conditions (Cendrero-Mateo et al., 2015; Martini et al., 2019), species-specific differences (e.g., Van Wittenberghe et al., 2013) and light regimes (e.g., Liu and Liu, 2018). At the same time, the modeling of SIF developed rapidly (Gu et al., 2019a; Han et al., 2022; Han et al., 2021; van der Tol et al., 2014; van der Tol et al., 2009) and with an increasing degree of realism, offering the possibility to retrieve important vegetation parameters from remote sensing (Pacheco-Labrador et al., 2019; Verrelst et al., 2015; Verrelst et al., 2016; Zhang et al., 2014). Excellent and comprehensive reviews of the field are by (Mohammed et al., 2019; Porcar-Castell et al., 2021; Porcar-Castell et al., 2014; Sun et al., 2023a; Sun et al., 2023b). Despite the exponential increase in the number of publications in the field, significant progress is still needed. Here, this special issue aims to report foundational SIF science, including theoretical modeling and measurement-based research that is urgently needed to unleash the full potential of SIF for physiological and ecological applications at scales spanning from leaf to globe. The 14 articles collected in this special issue reported on the following specific aspects: first, technical capabilities enabling spectrally resolved SIF observations and their inter-comparability in space and time; second, theoretical developments in SIF-photosynthesis relationships to correctly interpret the signal and extract mechanistic information on vegetation structure and function; third, evaluation of the potential of SIF to track process beyond photosynthesis, such as transpiration; fourth, large scale-applications of SIF observations; and finally, upscaling fluorescence from leaf to canopy scales.

54 ENVIRONMENTAL SCIENCES↗

DES science portal: Computing photometric redshifts

We present the Dark Energy Survey (DES) Science Portal, an integratedweb-based data interface designed to facilitate scientific analysis. Wedemonstrate how the Portal can provide a reliable environment to accesscomplete data sets, provide validation algorithms and metrics in the case ofmultiple methods and training configurations, and maintain the provenancebetween the different steps of a complex calculation, while ensuringreproducibility of the results. We use the estimation of DES photometricredshifts (photo-$z$s) as an example. A significant challenge facingphotometric surveys for cosmological purposes, such as DES, is the need toproduce reliable redshift estimates. The choice between competing algorithmsand configurations and the maintenance of an up-to-date spectroscopic databaseto build training sets, for example, are complex tasks when dealing with largeamounts of data that are regularly updated and constantly growing. We show howthe DES Science Portal can be used to train and validate several photo-$z$algorithms using the DES first year (Y1A1) data. The photo-$z$s estimated inthe Portal are used to feed the creation of catalogs for scientific workflows.While the DES collaboration is still developing techniques to obtain precisephoto-$z$s, having a structured framework like the one presented here iscritical for the systematic vetting of DES algorithmic improvements and theconsistent production of photo-$z$s in future DES releases.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Harnessing citizen science to contextualize adaptation mechanism discovery

Species occupying broad geographic regions have evolved multiple mechanisms to regulate phenological characteristics, enabling adaptations to diverse native habitats. By developing computer vision AI to process citizen science observations across native habitats over North America, we uncovered a consistent latitudinal trend of earlier flowering at higher latitudes in warm-season perennial grasses. To explore the underlying mechanisms of adaptation, we conducted common garden experiments with one species (switchgrass) and discovered the opposite latitudinal flowering-time trend. Integration of differential plasticity of GI-Hd1-FTL1 haplotypes of flowering time regulatory genes, haplotype range, and local environmental profiles found that observations from native habitats capture only part of the genotype-environment-phenotype spectrum established in common garden experiments, therefore reconciling the discrepancy. Two mechanisms emerged as key forces shaping current haplotype ranges and influencing future shifts. Our study highlights the power of combining citizen science observations with designed experiments to uncover mechanisms of adaptation across spatiotemporal scales.

FTL1↗

Degradation science: Mesoscopic evolution and temporal analytics of photovoltaic energy materials

Based on recent advances in nanoscience, data science and the availability of massive real-world datastreams, the mesoscopic evolution of mesoscopic energy materials can now be more fully studied. The temporal evolution is vastly complex in time and length scales and is fundamentally challenging to scientific understanding of degradation mechanisms and pathways responsible for energy materials evolution over lifetime. We propose a paradigm shift towards mesoscopic evolution modeling, based on physical and statistical models, that would integrate laboratory studies and real-world massive datastreams into a stress/mechanism/response framework with predictive capabilities. These epidemiological studies encompass the variability in properties that affect performance of material ensembles. Mesoscopic evolution modeling is shown to encompass the heterogeneity of these materials and systems, and enables the discrimination of the fast dynamics of their functional use and the slow and/or rare events of their degradation. As a result, we delineate paths forward for degradation science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bringing science into river systems cumulative effects assessment practice

Fast-paced watershed change, driven by anthropogenic development, is threatening the sustainability of freshwater resources across the globe. Developments within watersheds interact in a manner that is additive and synergistic over space and time. Such cumulative environmental effects are defined as the results of actions that are individually minor but collectively significant when added to other past, present, and reasonably foreseeable future actions. Cumulative effects assessment (CEA) then is broadly defined as the process of evaluating the potential impacts of such collective actions on the environment and is a requirement in many countries, including in Canada at the federal level under the Canadian Environmental Assessment Act. However, current approaches to CEA for river systems are proving to be ineffective, which is largely attributed to the disconnect between CEA science and practice. We highlight this gap herein by discussing contradictions in the CEA literature, challenges in quantifying cumulative interactions, including overcoming spatiotemporal scale issues, multiple hydrologic and ecological pathways, and lack of predictive analysis. Our analysis shows there is a need for improved CEA for river systems, and in responding to this need we propose a conceptual framework for better integrating science and practice for improved CEA for river systems using one of the most adversely affected rivers basins in Canada, the Athabasca River, as our model. We conclude by addressing the challenges inherent to CEA with the intent of providing scientists with ways to help improve CEA of river systems.

54 ENVIRONMENTAL SCIENCES↗

Putting ''place'' a multiscale context: perspectices from the sustainability sciences

This paper summarizes a number of perspectives that have emerged from the sustainability sciences in recent decades (NRC, 1999; Kates et al., 2001; NRC, 2006; Kates, 2010) that shed light on the role of place in multi-scale sustainability science and vice-versa, ranging from the importance of the co-production of knowledge for sustainable development to threats to a ''sense of place'' from global environmental and economic changes.

54 ENVIRONMENTAL SCIENCES↗

Tritium aspects of the fusion nuclear science facility

The Fusion Nuclear Science Facility (FNSF) is intended to bridge the technical gaps from ITER to DEMO, and provide a fully nuclear environment for the advancement of materials and blanket science, among other missions. Though smaller (~500 MW fusion power) than the envisioned DEMO, our FNSF design still seeks to test DEMO-relevant components and technologies, and to that end one of its goals is to achieve a tritium breeding ratio near one using a dual-cooled lead lithium (DCLL) blanket. We explore here the migration of bred tritium through in-vessel components and coolant loops, which is exacerbated by the relatively low solubility of tritium in PbLi and the high operating temperatures envisioned in later phases of operation. Some features inherent to the design of the DCLL help limit tritium losses, namely the relatively high PbLi flow rates; coupled with efficient tritium extraction, the DCLL potentially achieves low tritium permeation losses without the use of permeation barriers. We outline here the design of such an extraction system, and some of the materials challenges that must be met in order to realize it. The efficacy of these and other design features, such as coaxial piping, is demonstrated via a series of parameter studies. We also investigate the effect of parameter uncertainties, and find that the imprecise knowledge of the tritium solubility in PbLi in particular leads to very disparate estimates of tritium losses. Depending on the experimental value used, losses range from ~0.05 to over 6 grams of tritium per year. As a result, the former is acceptable based on estimated environmental releases and resultant dose to members of the public; the latter exceeds regulatory limits.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Human Choice and CCS Deployment: What have we learned from the social sciences about CCS?

It is my pleasure to present this Virtual Special Issue of key social science papers that have been published in the International Journal of Greenhouse Gas Control (IJGCC). These papers show that the social science research community has significantly advanced the state-of-the-art from vague discussions about the “acceptance of CCS” to a body of deeply insightful and actionable knowledge about how CCS is likely to be framed and how framing will impact the ultimate deployment of CCS as a means of mitigating anthropogenic climate change. The papers assembled here shed light on core issues such as how do humans make decisions about a new technology like CCS that they have no direct personal experience with and what is it is about “new” technologies that we find unsettling. These papers also speak to what are the best, and for that matter the worst, ways of presenting inherently highly technical information to lay audiences, including insights about the substance of the information, the form in which the information is delivered, and who delivers it. An extended editorial about this virtual special issue is freely available on ScienceDirect. I hope you find the papers contained in this Virtual Issue to be as informative and insightful as I do.

carbon dioxide capture and storage↗

Electrospraying deposition and characterization of potassium chloride targets for nuclear science measurements

Natural and isotopically enriched KCl targets were prepared using specially formulated KCl solutions, deposited by electrospraying on thin (1.5 μm) gold backings, followed by a short annealing in a preheated (350-450 °C) furnace. Various techniques, such as X-ray fluorescence (XRF), scanning electron microscopy (SEM) imaging, and energy-dispersive X-ray spectroscopy (EDS), were used to characterize the produced targets. A white neutron beam at the Los Alamos Neutron Science Center (LANSCE) facility was also used to verify the estimated atomic percentages of the enriched 40 KCl targets. KCl was deposited relatively uniformly as large particles rather than films on the gold surface. As a result, this method can be broadly extended to make stable targets that are difficult to produce with other methods and more exotic radioactive targets required for research in fundamental sciences and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Viewpoint Set on Nuclear Materials Science

Materials science has historically played critical roles in developing today’s nuclear energy systems. The current mainstream nuclear materials such as the zirconium alloys for fuels and core components and the reactor pressure vessel (RPV) steels were essential enabling materials for present day nuclear power and they undergo continued science-based fine tuning. Discovery of void swelling and other radiation effect phenomena in a fast neutron spectrum is largely responsible for the development of modern nuclear steels with enhanced radiation tolerance and, to a certain extent, the struggle of fast spectrum reactor development. Understandings the effects of neutron irradiation and the operating thermochemical environment in heat-resistant alloys, core graphite, and SiC-coated particle fuels have enabled the high temperature helium cooled reactors as a passively safe nuclear energy technology that is now anticipating mass deployment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Low Temperature Activation of Methane on Metal-Oxides and Complex Interfaces: Insights from Surface Science

The abundance of inexpensive, natural gas has transformed the energy landscape, whereby revealing new possibilities for sustainable chemical technologies or impacting those that have relied on traditional fossil fuels. The primary component, methane, is underutilized and wastefully exhausted, leading to anthropogenic global warming. Historically, the manipulation of methane remained “ clavis aurea ,” an insurmountable yet rewarding challenge and thus the focus of intense research. This is primarily due to an inability to dissociate C–H bonds in methane selectively, which requires a high energy penalty and is an essential prerequisite for the direct conversion of methane into a large set of value-added products. The discovery of such processes would promise an energy gainful use of natural gas benefiting several essential chemical processes associated with C1 chemistry. This first C–H bond dissociation step of the methane molecule appears in numerous catalytic mechanisms as the rate-determining step or most essential barrier sequence for all subsequent steps that follow in the production of C–C, C–O, or C x –H y –O z bonds found in value added products. A main goal is to catalytically reduce the energy barrier for the first C–H bond dissociation to be able to achieve the activation of methane at low or moderate temperatures. As such there is great value in understanding the fundamental nature of the active sites responsible for bond breaking or formation and thus be able to facilitate better control of this chemistry, leading to the development of new technologies for fuel production and chemical conversion. Surface science studies offer enhanced perspectives for a careful manipulation of bonds over the last layer atoms of catalyst surfaces, an essential factor for the design of atomically precise catalysts and unravelling of the reaction mechanism. With the advent of new surface imaging, spectroscopy, and in situ tools, it has been possible to decipher the surface chemistry of complex materials systems and further our understanding of atomic active sites on the surfaces of metals, oxides, and carbides or metal–oxide and metal–carbide interfaces. The once considered near impossible step of C–H bond activation is now observed at low temperatures with high propensity over a collection of oxide, metal–oxide, and metal–carbide systems in a conventional or inverse configuration (oxide or carbide on metal). The enabling of C–H activation at low temperature has opened interesting possibilities for the specific production of chemicals such as methanol directly from methane, a step toward facile synthesis of liquid fuels. We highlight the most recent of these results and present the key aspects of active site configurations engineered from surface science studies which enable such a simple reactive event through careful manipulation of the last surface layer of atoms found in the catalyst structure. New concepts which help in the activation and conversion of methane are discussed.

36 MATERIALS SCIENCE↗