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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Predictive Modeling and Diagnostic Monitoring of Extreme Science Workflows (Final Report)

This proposal addresses a critical issue of performance prediction identified in the report from the ASCR \Computational Modeling of Big Networks (COMBINE)" workshop: "end-to-end performance is not predictable due to a variety of factors. Even when some performance forecasts or predictions can be made, they often cannot explain the reasons why some predictions fail." We will develop new analytical models to predict the end-to-end performance of scientific workflows on DOE computing infrastructures, and use simulations and experimentation to validate and refine these models, as well as to pinpoint the sources of model inaccuracy. We will also use these models to help diagnose application and infrastructure problems, and to adapt the system based on this diagnosis. This section provides background in the areas relevant to the proposed work. RPI’s specific tasks within the Panorama project are as follows: (1) Develop Aspen-Simulation interface for Workflow Model Driven Simulation. (2) Validate manual performance models of two target workflow scenarios with empirical measurement and simulation. (3) Extend ROSS-Aspen API to simulate workflow descriptions when required. (4) Validate Aspen performance models of two target workflow scenarios with automatic performance model empirical measurement and simulation. (5) Design and implement final system to automatically generate Aspen performance models from workflow descriptions (including methods to compensate for limitations of Aspen analytical models). (6) Validate improved Aspen performance models with target workflow on production infrastructure. To date, all the project milestones assigned to us where reached within the best of our abilities over the course of the project performance period. Below describes the key outcome from our collaborative research in a system named, Durango .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Institute for Catalysis in Energy Processes (ICEP) (Final Report)

The Institute for Catalysis in Energy Processes (ICEP) was a multi-PI program located at the Northwestern University Center for Catalysis and Surface Science from 2006-2024. Over several renewal cycles and several organizing themes, ICEP addressed fundamental questions in catalysis science. In turn, the scientific questions addressed were directly relevant to the efficient use of the nation’s resources to produce fuels and commodity chemicals, harness alternate energy sources for chemical reactions such as light or electricity, reduce emissions and waste, and minimize the impact of our use of plastics. Selective oxidation, (oxidative) dehydrogenation, deNOx, CO 2 reduction, hydrogen release, polymer decomposition / depolymerization, and many other reactions of intense interest to the US Department of Energy were studied in the center. Major ICEP strengths were in catalyst synthesis, in measurements that elucidated catalyst properties, in reaction mechanisms and kinetics, and in predictive theory and modeling. ICEP researchers were often the inventors or developers of materials and methods that were brought to bear on the Institute’s catalytic systems. Key characterization tools advanced through this project included resonance Raman and related techniques, sum frequency generation, and X-ray standing wave spectroscopy. Center members relied extensively on computational tools such as density functional theory and microkinetic modeling to fully investigate catalyst structures and catalytic mechanisms. ICEP researchers were early developers of atomic layer deposition (ALD) for catalyst synthesis and were early pioneers of metal organic frameworks for catalysis. ICEP innovations are found in areas of intense research such as single-atom catalysts, catalytic deconstruction of plastics, and catalytic MOFs, to name a few. Research areas initiated by ICEP indirectly led to DOE EFRCs, startup companies, and other achievements. Over its 18 years of existence, ICEP involved two different PIs (Stair and Notestein) and 24 senior investigators across several academic disciplines at Northwestern University. There were tight collaborations with Argonne National Laboratory, including specialized equipment and experiments permanently located there. The center supported ~400 person-years of effort by graduate students and postdocs, either directly through DOE support or indirectly by leveraging independent support provided to the trainees, e.g. through the NSF GRFP or internal fellowships. The project resulted in 328 manuscripts and numerous conference presentations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The Galaxy platform for accessible, reproducible, and collaborative data analyses: 2024 update

Galaxy (https://galaxyproject.org) is deployed globally, predominantly through free-to-use services, supporting user-driven research that broadens in scope each year. Users are attracted to public Galaxy services by platform stability, tool and reference dataset diversity, training, support and integration, which enables complex, reproducible, shareable data analysis. Applying the principles of user experience design (UXD), has driven improvements in accessibility, tool discoverability through Galaxy Labs/subdomains, and a redesigned Galaxy ToolShed. Galaxy tool capabilities are progressing in two strategic directions: integrating general purpose graphical processing units (GPGPU) access for cutting-edge methods, and licensed tool support. Engagement with global research consortia is being increased by developing more workflows in Galaxy and by resourcing the public Galaxy services to run them. The Galaxy Training Network (GTN) portfolio has grown in both size, and accessibility, through learning paths and direct integration with Galaxy tools that feature in training courses. Code development continues in line with the Galaxy Project roadmap, with improvements to job scheduling and the user interface. Environmental impact assessment is also helping engage users and developers, reminding them of their role in sustainability, by displaying estimated CO 2 emissions generated by each Galaxy job.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Methods and Usability Enhancements in Shift for Non-LWR Applications

Several development and analysis tasks were undertaken in FY21 under the Nuclear Energy Advanced Modeling and Simulation program to enhance modeling of non light–water reactors (LWRs) with Shift. Specifically, these efforts targeted enhancements for tristructural isotropic (TRISO) fuel modeling. A new Shift user interface was developed that allows for much better usability and ease of modeling for non-LWR problems and TRISO fuel. Performance studies were conducted using an HTR-10 fuel pebble model by comparing different geometry packages in Shift, KENO-VI, and Serpent. These studies showed that the new geometry package in Shift performs well compared to Serpent for TRISO fuel modeling with consistent tracking options between both packages. The studies also identified the most critical areas of improvement for more efficiently performing Monte Carlo transport on TRISO fuel models with Shift. Tally calculations in Shift were optimized for non-LWR cross section generation and depletion calculations, and areas for further optimization and accuracy improvements were identified. Finally, initial collaboration efforts were formed between Idaho National Laboratory, Argonne National Laboratory, and the Nuclear Regulatory Commission to use Shift for Comprehensive Reactor Analysis Bundle support.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2016

Tigres Workflow Library: Supporting Scientific Pipelines on HPC Systems

The growth in scientific data volumes has resulted in the need for new tools that enable users to operate on and analyze data on large-scale resources. In the last decade, a number of scientific workflow tools have emerged. These tools often target distributed environments, and often need expert help to compose and execute the workflows. Data-intensive workflows are often ad-hoc, they involve an iterative development process that includes users composing and testing their workflows on desktops, and scaling up to larger systems. In this paper, we present the design and implementation of Tigres, a workflow library that supports the iterative workflow development cycle of data-intensive workflows. Tigres provides an application programming interface to a set of programming templates i.e., sequence, parallel, split, merge, that can be used to compose and execute computational and data pipelines. We discuss the results of our evaluation of scientific and synthetic workflows showing Tigres performs with minimal template overheads (mean of 13 seconds over all experiments). We also discuss various factors (e.g., I/O performance, execution mechanisms) that affect the performance of scientific workflows on HPC systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

DIRAC current, upcoming and planned capabilities and technologies

DIRAC is the interware for building and operating large scale distributed computing systems. It is adopted by multiple collaborations from various scientific domains for implementing their computing models. DIRAC provides a framework and a rich set of ready-to-use services for Workload, Data and Production Management tasks of small, medium and large scientific communities having different computing requirements. The base functionality can be easily extended by custom components supporting community specific workflows. DIRAC is at the same time an aging project, and a new DiracX project is taking shape for replacing DIRAC in the long term. This contribution will highlight DIRAC’s current, upcoming and planned capabilities and technologies, and how the transition to DiracX will take place. Examples include, but are not limited to, adoption of security tokens and interactions with Identity Provider services, integration of Clouds and High Performance Computers, interface with Rucio, improved monitoring and deployment procedures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Summary of LANL FY19 Technical Interface Coordination with SHINE

In FY19, Los Alamos National Laboratory (LANL) provided technical support for SHINE emergent needs and technical interface coordination including coordination of SHINE CFD and thermal hydraulics conference calls, Mo-99 meetings and reviews, national laboratory conference calls, and program management activities such as reporting and tracking requirements for current FY19 activities. LANL has also provided general technology consultation support for emerging issues. LANL has participated in the bi-weekly conference calls with SHINE and other national laboratories regarding LANL’s current activities. Activities discussed include FY18 carryover items including the ANSYS Fluent-Nek5000 comparison study (for assessment of Nek5000 for coupled calculations), Supo 3-D CFD model geometry validation, and releasing CFD-MCNP coupled codes for the generic solution vessel simulations. Also, additional mid-year funded activities discussed during these conference calls include the ANL bubble experiment #2 collaboration. SHINE had a general technology consultation request in FY19. SHINE inquired about LANL’s capability to measure enrichment percentage of uranium samples, however, additional information is needed to continue. The meeting minutes for these activities are shown in Appendix A. LANL has also been providing monthly updates on the laboratory SharePoint site (managed by Pacific Northwest National Laboratory) regarding current FY19 activities. Monthly updates include current activity milestone and deliverable status, completion date updates and variances if applicable, and actual cost at the task dependent activity level. LANL attended several Mo-99 meetings and reviews in FY19. LANL attended the FY19 Mo-99 Laboratory Mid-Year Program and Financial Review at Argonne National Laboratory (ANL) on March 20-21, 2019, as well as the FY19 Mo-99 Program Meeting and Mid-Year Financial Review in Chicago, IL on April 29-30, 2019. LANL also attended the FY20 Laboratory Work Package Planning Meeting at ANL on June 4-6, 2019.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Development of flexible, scalable, low cost readout for beam tests of the high granularity calorimeter for the CMS endcap

As part of the development of the High Granularity Calorimeter for the CMS Endcap at HL-LHC, The CMS collaboration is conducting a comprehensive series of beam tests. The first beam test, with a single HGC module was carried out in March of 2016 at the Fermilab Test Beam Facility, continuing to a 16 module test in July of 2016. We describe here the development of a low cost readout system that is simple to implement and is able to grow with the system under test. The system is based on the low cost Zynq SoC that allows simple DAQ development in a Linux environment. For this application we used the Digilent ZedBoard, which allows high speed LVDS links and Linux software development on a single commercial board. A small custom FPGA board designed to comply with the VITA 57 Field Programmable Mezzanine Card standard implements the interface to the readout ASIC mounted on the HGC sensor modules and provides the LVDS links to the ZedBoard, either directly over the FMC connector or via a custom carrier card. This architecture provides scalability, ease of development and low cost.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Meta-Level Design Guidance and Operator Performance Measures for Hybrid Control Rooms

The purpose of this grant was to refine and test methods to evaluate digital human system interfaces (HSI) for existing largely analog nuclear power plant (NPP) control rooms (CRs). We hypothesized that CR operator performance (CROP) in hybrid NPP CRs will be improved if future digital HSI is designed based on: 1) more robust design guidelines for operator situation awareness (SA) and decision-making (DM); 2) enhanced CROP metrics during HSI evaluation; 3) an ontology for selecting simulation scenarios to evaluate digital HSI; and 4) a model to predict optimal HSI design attributes given CROP objectives. The team conducted numerous nuclear power plant site visits (e.g., to Brown’s Ferry, Palo Verde, Sequoyah and Vogtle) to study control room operations and crisis management and 3 visits to the NRC Chattanooga Training Center. We observed research studies at DC Cook and NRC Chattanooga in collaboration with the Halden Reactor Project. We collected operator performance and workload data in one NPP simulator. A comprehensive human (i.e., CROP) performance literature review was published in Applied Ergonomics. We obtained operator team performance data from CAER to produce our data fusion model and a paper delineating the results have been accepted (revision submitted) in Resilience Engineering and System Safety. We analyzed interview data related to scenario ontology development; a manuscript is still in preparation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

IX Cell Wall Research Conference 2022 (IXCWRC): Cell wall research for new fundamental discoveries and applications in plant biology

This application is for securing funds to offset the registration fees and lodging costs for US-based early career investigators (ERCs) to participate to the IX Cell Wall Research Conference 2022 (IXCWRC 2022): Cell wall research for new fundamental discoveries and applications in plant biology. The conference will be held in East Lansing, Michigan on June 13-17, 2022. The conference will focus on the plant cell wall. Plant cells are encapsulated by the cell wall, a dynamic structure that protects them, enables them to interface with the external environment and supports the growth of the entire organism. There is a growing interest in understanding the complex processes necessary to build and deconstruct the plant cell wall. A better understanding of how the cell wall is synthesized during plant growth and in response to the environment, and how it is deconstructed for a broad variety of applications can inform and improve biotechnological processes for increasing biomass yield and improving industrial processes for the recovery of valuable, sustainable polymers. Acquiring such knowledge requires the exchange of new ideas and results as well as the development and application of new technologies. The IXCWRC 2022 aims to reach this goal by providing an opportunity for an open forum to discuss new ideas and theories and develop collaborations for scientists across the globe in a diverse and supportive environment. A distinction of the IXCWRC 2022 from all the preceding plant cell wall conferences will be its focus on the training and inclusion of the next generation of scientists, the ERCs. The overall goal of this application is to broaden the participation of ERCs with a focus on underrepresented communities. The specific goal of this application is to secure support for registration and lodging for US-based ERCs to attend the conference. Priority will be given to ERCs from underrepresented communities in science. We expect that support from DOE will allow the development of an exciting and innovative program to discuss the latest scientific advances in cell wall biology research, advance the next generation of plant cell wall researchers and foster the foundations of an inclusive community in science.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Multimode scanning X-ray diffraction microscopy for diamond anvil cell experiments

We have designed and implemented a new experimental system for fast mapping of crystal structures and other structural features of materials under high pressure at the High Pressure Collaborative Access Team, Sector 16 of the Advanced Photon Source. The system utilizes scanning X-ray diffraction microscopy (SXDM) and is optimized for use with diamond anvil cell devices. In SXDM, the X-ray diffraction (XRD) is collected in a forward scattering geometry from points on a two-dimensional grid by fly-scanning the sample with respect to a micro-focused X-ray beam. The recording of XRD is made during the continuous motion of the sample using a fast (millisecond) X-ray area detector in synchrony with the sample positioners, resulting in a highly efficient data collection for SXDM. A new computer program, X-ray Diffractive Imaging (XDI), has been developed with the SXDM system. The XDI program provides a graphical interface for constructing and displaying the SXDM images in several modes: (1) phase mapping based on structural information, (2) pressure visualization based on the equation of state, (3) microstructural features mapping based on peak shape parameters, and (4) grain size and preferred-orientation based on peak shape parameters. The XDI is a standalone program and can be generally used for displaying SXDM images. Two examples of iron and zirconium samples under high pressure are presented to demonstrate the applications of SXDM. Published under license by AIP Publishing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

HED Hydrodynamics in the Common Modeling Framework

Within the Common Modeling Framework (CMF), the HED Hydrodynamics Project has implemented a common methodology, or "Authority", for modeling high energy density (HED) experiments by extending development of the Eulerian Applications Project code Authority, "EAPA," to include relevant physics models, customization tools and templates, and in situ and post-processing capabilities. Additionally, several models for small-scale HED experiments were successfully added to the CMF and simulations reproduce the results of preexisting, benchmarked input decks. We expect use of the CMF to improve our effectiveness in developing predictive capabilities for experiments ranging from small-scale planar single-interface, single-shock to multi-interface, multi-shock configurations and up through multi-shell inertial confinement fusion (ICF) implosions. Additionally, this will strengthen our ability to design future targeted experiments. Using the CMF infrastructure and Authorities for HED modeling has three key impacts. First, it enables a version-controlled, pedigreed and archived base model for each experiment with tools that allow easy setup, execution and analysis of simulations to assess and/or expose sensitivities to various parameters. Second, having a common base set of inputs and physics definitions helps identify systematic differences between models in the codes and experimental data to support code validation, and build confidence in our predictive capabilities. Finally, designed to work in concert with multiple programs and projects including PEM, IC, OES, V&V and DSW, the CMF supports improved collaboration and integration through shared model definitions, data, simulations and results, enhancing the workflow required to underwrite the knowledge base and capabilities ultimately required for stockpile stewardship

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Soda Pop: A Time-Series Clustering, Alarming and Disease Forecasting Application

To introduce Soda Pop, an R/Shiny application designed to be a disease agnostic time-series clustering, alarming, and forecasting tool to assist in disease surveillance “triage, analysis and reporting” workflows within the Biosurveillance Ecosystem (BSVE). In this poster, we highlight the new capabilities that are brought to the BSVE by Soda Pop with an emphasis on the impact of methodological decisions. The Biosurveillance Ecosystem (BSVE) is a biological and chemical threat surveillance system sponsored by the Defense Threat Reduction Agency (DTRA). BSVE is intended to be user-friendly, multi-agency, cooperative, modular and threat agnostic platform for biosurveillance. In BSVE, a web-based workbench presents the analyst with applications (apps) developed by various DTRA funded researchers, which are deployed on-demand in the cloud(e.g., Amazon Web Services). These apps aim to address emerging needs and refine capabilities to enable early warning of chemical and biological threats for multiple users across local, state, and federal agencies. Soda Pop is an app developed by Pacific Northwest National Laboratory (PNNL) to meet the current needs of the BSVE for early warning and detection of disease outbreaks. Aimed for use bya diverse set of analysts, the application is agnostic to data source and spatial scale enabling it to be generalizable across many diseases and locations. To achieve this, we placed a particular emphasis on clustering and alerting of disease signals within Soda Pop without strong prior assumptions on the nature of observed diseased counts. Although designed to be agnostic to the data source, Soda Pop was initially developed and tested on data summarizing Influenza-Like Illness in military hospitals from collaboration with the Armed Forces Health Surveillance Branch. Currently, the data incorporated also includes the CDC’s National Notifiable Diseases Surveillance System(NNDSS) tables and the WHO’s Influenza A/B Influenza Data(Flunet). These data sources are now present in BSVE’s Postgres data storage for direct access. Soda Pop is designed to automate time-series tasks of data summarization, exploration, clustering, alarming and forecasting. Built as an R/Shiny application, Soda Pop is founded on the powerful statistical tool R.. Where applicable, Soda Pop facilitates nonparametric seasonal decomposition of time-series; hierarchical agglomerative clustering across reporting areas and between diseases within reporting areas; and a variety of alarming techniques including Exponential Weighted Moving Average alarms and Early Aberration Detection. Soda Pop embeds these techniques within a user-interface designed to enhance an analyst’s understanding of emerging trends in their data and enables the inclusion of its graphical elements into their dossier for further tracking and reporting. The ultimate goal of this software is to facilitate the discovery of unknown disease signals along with increasing the speed of detection of unusual patterns within these signals. Soda Pop organizes common statistical disease surveillance tasks in a manner integrated with BSVE data source inputs and outputs. The app analyzes time-series disease data and supports a robust set of clustering and alarming routines that avoid strong assumptions on the nature of observed disease counts. This attribute allows for flexibility in the data source, spatial scale, and disease types making it useful to a wide range of analysts.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Collaborative Research: Atmospheric Pressure Plasma-Biomaterial Surface Interactions - Bridging Understanding of APP Sources to Rational Modification of Biomolecules

The overriding objective of this work is to bridge the gap between understanding of atmospheric pressure plasma (APP) sources and predictive chemical modifications of biomolecules. A key aspect of this problem is to understand what oxidizing species are created in water adjacent to APP jets that would ultimately affect aqueous biomolecules. We report the production of highly oxidative species in solutions exposed to a self-pulsed corona discharge in air. We examine how the properties of the target solution (pH, conductivity) and the discharge power affect the discharge stability and the production of H2O2. Indigo carmine, a common organic dye, is used as an indicator of oxidative strength and in particular, hydroxyl radical (OH•) production. The observed rate of indigo oxidation in contact with the discharge far exceeds that predicted from reactions based on concentrations of species measured in the bulk solution. The generation of H2O2 and the oxidation of indigo carmine indicate a high concentration of highly oxidizing species such as OH• at the plasma-liquid interface. These results indicate that reactions at the air plasma-liquid interface play a dominant role in species oxidation during direct non-equilibrium atmospheric pressure plasma (NE-APP) treatment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument

Abstract The Dark Energy Spectroscopic Instrument (DESI) embarked on an ambitious 5 yr survey in 2021 May to explore the nature of dark energy with spectroscopic measurements of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the baryon acoustic oscillation method to measure distances from the nearby universe to beyond redshift z > 3.5, and employ redshift space distortions to measure the growth of structure and probe potential modifications to general relativity. We describe the significant instrumentation we developed to conduct the DESI survey. This includes: a wide-field, 3.°2 diameter prime-focus corrector; a focal plane system with 5020 fiber positioners on the 0.812 m diameter, aspheric focal surface; 10 continuous, high-efficiency fiber cable bundles that connect the focal plane to the spectrographs; and 10 identical spectrographs. Each spectrograph employs a pair of dichroics to split the light into three channels that together record the light from 360–980 nm with a spectral resolution that ranges from 2000–5000. We describe the science requirements, their connection to the technical requirements, the management of the project, and interfaces between subsystems. DESI was installed at the 4 m Mayall Telescope at Kitt Peak National Observatory and has achieved all of its performance goals. Some performance highlights include an rms positioner accuracy of better than 0.″1 and a median signal-to-noise ratio of 7 of the [O ii ] doublet at 8 × 10 −17 erg s −1 cm −2 in 1000 s for galaxies at z = 1.4–1.6. We conclude with additional highlights from the on-sky validation and commissioning, key successes, and lessons learned.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

NSR&D Program Fiscal Year 2015 Funded Research Stochastic Modeling of Radioactive Material Releases Final Report

Nonreactor nuclear facilities operating under the approval authority of the U.S. Department of Energy use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge or exceed dose evaluation guidelines. Unmitigated design basis events that sufficiently challenge dose evaluation guidelines or exceed the guidelines for members of the public or workers, merit selection of safety structures, systems, or components or other controls to prevent or mitigate the hazard. Idaho State University, in collaboration with Idaho National Laboratory, has developed a portable and simple to use software application called SODA (Stochastic Objective Decision-Aide) that stochastically calculates the radiation dose distribution associated with hypothetical radiological material release scenarios. Rather than producing a point estimate of the dose, SODA produces a dose distribution result to allow a deeper understanding of the dose potential. SODA allows users to select the distribution type and parameter values for all of the input variables used to perform the dose calculation. Users can also specify custom distributions through a user defined distribution option. SODA then randomly samples each distribution input variable and calculates the overall resulting dose distribution. In cases where an input variable distribution is unknown, a traditional single point value can be used. SODA, developed using the MATLAB coding framework, has a graphical user interface and can be installed on both Windows and Mac computers. SODA is a standalone software application and does not require MATLAB to function. SODA provides improved risk understanding leading to better informed decision making associated with establishing nuclear facility material-at-risk limits and safety structure, system, or component selection. It is important to note that SODA does not replace or compete with codes such as MACCS or RSAC; rather it is viewed as an easy to use supplemental tool to help improve risk understanding and support better informed decisions. The SODA development project was funded through a grant from the DOE Nuclear Safety Research and Development Program.

42 ENGINEERING↗
DOE OSTI2016

Above and belowground connections and species interactions: Controls over ecosystem fluxes

The ultimate goal of this work was to quantify soil and volatile organic compound fluxes as a function of tree species and associated mycorrhizal associations in an intact forest, but also to describe the physical and biological factors that control these emissions. The results of this research lay the foundation toward an improved mechanistic understanding of carbon pathways, fluxes, and ecosystem function, ultimately improving the representation of forest ecosystems in Earth System models. To this end, a multidisciplinary approach was necessary to fill a critical gap in our understanding of how soil and root processes may influence whole-ecosystem carbon-based volatile fluxes in the face of a rapidly changing climate. We developed a series of novel sampling protocols and coupled a variety of advanced analytical techniques, resulting in findings relevant across disciplines. Furthermore, we leveraged existing infrastructure, research sites, and datasets to design a low-cost exploratory project that links belowground processes, soil volatile emissions, and total ecosystem carbon budgets. Measurements from soil collars installed across a species/mycorrhizal gradient at the DOE-supported Moran Monroe State Forest Ameriflux tower site suggest that leaf litter is the primary source of belowground and forest floor volatile emissions, but the strength of this source is significantly affected not only by leaf litter type, but the strength of the soil as a sink. Results suggest that the strength of the sink is influenced by tree species-specific associated microbial communities that change throughout the season as a function of temperature, soil moisture, leaf litter inputs, and phenology. The magnitude of the observed volatile fluxes from the forest floor is small relative to total aboveground ecosystem flux, but the contribution of these emissions to volatile-mediated ecological interactions and soil processes (e.g. nitrification) varies substantially across the growing season. This research lays the foundation to answer important questions regarding the impacts of seasonality and forest composition on belowground volatile source-sink dynamics in mediating nutrient cycling and biogeochemistry dynamics—critical components of overall ecosystem functioning. In collaboration with the Environmental Simulations Unit (EUS) at the Helmholtz Zentrum in Munich, Germany (headed by Prof. Dr. Joerg-Peter Schinitzler), we investigated carbon investment in above and belowground plant volatile compounds in response to environmental conditions and mycorrhizal associations. Using the sophisticated phytotron facility and on-line trace gas instruments, we conducted controlled laboratory experiments that showed that biotic stresses, such as herbivore feeding, can alter the magnitude of belowground volatile emissions as well as carbon allocation towards these volatiles. We saw no effect of mycorrhizae on any induced response, suggesting that microbial effects were unrelated to source-sink dynamics driving terpene emissions. Furthermore, the results suggest that even though enzyme activity responsible for root volatile synthesis is up-regulated following herbivory, the sink strength of the soil can significantly impact what is measured at the soil/atmosphere interface and thereby what enters the atmosphere. This is important as scientists may be underestimating the magnitude of belowground volatile emissions and their influence on belowground interactions due to limitations associated with current sampling techniques. These key findings are being integrated with results from a hydroxyl radical reactivity-VOC campaign and a late season litter removal experiment to offer a comprehensive mechanistic understanding of the sources and controls over soil volatile emissions, particularly during times of the year when vegetative aboveground emissions are low (leaf senescence). Ultimately, these coupled field and laboratory experiments offer insights into seasonal dynamics of volatile emissions and the mechanisms that control carbon allocation to these compounds with an eye towards improving carbon budgets, nutrient cycling, and terrestrial ecosystem models.

54 ENVIRONMENTAL SCIENCES↗