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DOE OSTI2021

The Utility of Macroecological Rules for Microbial Biogeography

Macroecological rules have been developed for plants and animals that describe large-scale distributional patterns and attempt to explain the underlying physiological and ecological processes behind them. Similarly, microorganisms exhibit patterns in relative abundance, distribution, diversity, and traits across space and time, yet it remains unclear the extent to which microorganisms follow macroecological rules initially developed for macroorganisms. Additionally, the usefulness of these rules as a null hypothesis when surveying microorganisms has yet to be fully evaluated. With rapid advancements in sequencing technology, we have seen a recent increase in microbial studies that utilize macroecological frameworks. Here, we review and synthesize these macroecological microbial studies with two main objectives: (1) to determine to what extent macroecological rules explain the distribution of host-associated and free-living microorganisms, and (2) to understand which environmental factors and stochastic processes may explain these patterns among microbial clades (archaea, bacteria, fungi, and protists) and habitats (host-associated and free living; terrestrial and aquatic). Overall, 78% of microbial macroecology studies focused on free living, aquatic organisms. In addition, most studies examined macroecological rules at the community level with only 35% of studies surveying organismal patterns across space. At the community level microorganisms often tracked patterns of macroorganisms for island biogeography (74% confirm) but rarely followed Latitudinal Diversity Gradients (LDGs) of macroorganisms (only 32% confirm). However, when microorganisms and macroorganisms shared the same macroecological patterns, underlying environmental drivers (e.g., temperature) were the same. Because we found a lack of studies for many microbial groups and habitats, we conclude our review by outlining several outstanding questions and creating recommendations for future studies in microbial ecology.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Utilizing Novel Field and Data Exploration Methods to Explore Hot Moments in High-Frequency Soil Nitrous Oxide Emissions Data: Opportunities and Challenges

Soil nitrous oxide (N 2 O) emissions are an important driver of climate change and are a major mechanism of labile nitrogen (N) loss from terrestrial ecosystems. Evidence increasingly suggests that locations on the landscape that experience biogeochemical fluxes disproportionate to the surrounding matrix (hot spots) and time periods that show disproportionately high fluxes relative to the background (hot moments) strongly influence landscape-scale soil N 2 O emissions. However, substantial uncertainties remain regarding how to measure and model where and when these extreme soil N 2 O fluxes occur. High-frequency datasets of soil N 2 O fluxes are newly possible due to advancements in field-ready instrumentation that uses cavity ring-down spectroscopy (CRDS). Here, we outline the opportunities and challenges that are provided by the deployment of this field-based instrumentation and the collection of high-frequency soil N 2 O flux datasets. While there are substantial challenges associated with automated CRDS systems, there are also opportunities to utilize these near-continuous data to constrain our understanding of dynamics of the terrestrial N cycle across space and time. Finally, we propose future research directions exploring the influence of hot moments of N 2 O emissions on the N cycle, particularly considering the gaps surrounding how global change forces are likely to alter N dynamics in the future.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Substrate Utilization and Competitive Interactions Among Soil Bacteria Vary With Life-History Strategies

Microorganisms have evolved various life-history strategies to survive fluctuating resource conditions in soils. However, it remains elusive how the life-history strategies of microorganisms influence their processing of organic carbon, which may affect microbial interactions and carbon cycling in soils. Here, we characterized the genomic traits, exometabolite profiles, and interactions of soil bacteria representing copiotrophic and oligotrophic strategists. Isolates were selected based on differences in ribosomal RNA operon ( rrn ) copy number, as a proxy for life-history strategies, with pairs of “high” and “low” rrn copy number isolates represented within the Micrococcales, Corynebacteriales, and Bacillales. We found that high rrn isolates consumed a greater diversity and amount of substrates than low rrn isolates in a defined growth medium containing common soil metabolites. We estimated overlap in substrate utilization profiles to predict the potential for resource competition and found that high rrn isolates tended to have a greater potential for competitive interactions. The predicted interactions positively correlated with the measured interactions that were dominated by negative interactions as determined through sequential growth experiments. This suggests that resource competition was a major force governing interactions among isolates, while cross-feeding of metabolic secretion likely contributed to the relatively rare positive interactions observed. By connecting bacterial life-history strategies, genomic features, and metabolism, our study advances the understanding of the links between bacterial community composition and the transformation of carbon in soils.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Supplemental macronutrients and microbial fermentation products improve the uptake and transport of foliar applied zinc in sunflower ( Helianthus annuus L.) plants. Studies utilizing micro X-ray florescence

Enhancing nutrient uptake and the subsequent elemental transport from the sites of application to sites of utilization is of great importance to the science and practical field application of foliar fertilizers. The aim of this study was to investigate the mobility of various foliar applied zinc (Zn) formulations in sunflower ( Helianthus annuus L.) and to evaluate the effects of the addition of an organic biostimulant on phloem loading and elemental mobility. This was achieved by application of foliar formulations to the blade of sunflower ( H. annuus L.) and high-resolution elemental imaging with micro X-ray fluorescence (μ-XRF) to visualize Zn within the vascular system of the leaf petiole. Although no significant increase of total Zn in petioles was determined by inductively-coupled plasma mass-spectrometer, μ-XRF elemental imaging showed a clear enrichment of Zn in the vascular tissues within the sunflower petioles treated with foliar fertilizers containing Zn. The concentration of Zn in the vascular of sunflower petioles was increased when Zn was applied with other microelements with EDTA (commercial product Kick-Off) as compared with an equimolar concentration of ZnSO₄ alone. The addition of macronutrients N, P, K (commercial product CleanStart) to the Kick-Off Zn fertilizer, further increased vascular system Zn concentrations while the addition of the microbially derived organic biostimulant “GroZyme” resulted in a remarkable enhancement of Zn concentrations in the petiole vascular system. The study provides direct visualized evidence for phloem transport of foliar applied Zn out of sites of application in plants by using μ-XRF technique, and suggests that the formulation of the foliar applied Zn and the addition of the organic biostimulant GroZyme increases the mobility of Zn following its absorption by the leaf of sunflower.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Protein Data Bank: A Comprehensive Review of 3D Structure Holdings and Worldwide Utilization by Researchers, Educators, and Students

The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), funded by the United States National Science Foundation, National Institutes of Health, and Department of Energy, supports structural biologists and Protein Data Bank (PDB) data users around the world. The RCSB PDB, a founding member of the Worldwide Protein Data Bank (wwPDB) partnership, serves as the US data center for the global PDB archive housing experimentally-determined three-dimensional (3D) structure data for biological macromolecules. As the wwPDB-designated Archive Keeper, RCSB PDB is also responsible for the security of PDB data and weekly update of the archive. RCSB PDB serves tens of thousands of data depositors (using macromolecular crystallography, nuclear magnetic resonance spectroscopy, electron microscopy, and micro-electron diffraction) annually working on all permanently inhabited continents. RCSB PDB makes PDB data available from its research-focused web portal at no charge and without usage restrictions to many millions of PDB data consumers around the globe. It also provides educators, students, and the general public with an introduction to the PDB and related training materials through its outreach and education-focused web portal. This review article describes growth of the PDB, examines evolution of experimental methods for structure determination viewed through the lens of the PDB archive, and provides a detailed accounting of PDB archival holdings and their utilization by researchers, educators, and students worldwide.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Total Power Factor Smart Contract with Cyber Grid Guard Using Distributed Ledger Technology for Electrical Utility Grid with Customer-Owned Wind Farm

In modern electrical grids, the numbers of customer-owned distributed energy resources (DERs) have increased, and consequently, so have the numbers of points of common coupling (PCC) between the electrical grid and customer-owned DERs. The disruptive operation of and out-of-tolerance outputs from DERs, especially owned DERs, present a risk to power system operations. A common protective measure is to use relays located at the PCC to isolate poorly behaving or out-of-tolerance DERs from the grid. Ensuring the integrity of the data from these relays at the PCC is vital, and blockchain technology could enhance the security of modern electrical grids by providing an accurate means to translate operational constraints into actions/commands for relays. This study demonstrates an advanced power system application solution using distributed ledger technology (DLT) with smart contracts to manage the relay operation at the PCC. The smart contract defines the allowable total power factor (TPF) of the DER output, and the terms of the smart contract are implemented using DLT with a Cyber Grid Guard (CGG) system for a customer-owned DER (wind farm). This article presents flowcharts for the TPF smart contract implemented by the CGG using DLT. The test scenarios were implemented using a real-time simulator containing a CGG system and relay in-the-loop. The data collected from the CGG system were used to execute the TPF smart contract. The desired TPF limits on the grid-side were between +0.9 and +1.0, and the operation of the breakers in the electrical grid and DER sides was controlled by the relay consistent with the provisions of the smart contract. The events from the real-time simulator, CGG, and relay showed a successful implementation of the TPF smart contract with CGG using DLT, proving the efficacy of this approach in general for implementing electrical grid applications for utilities with connections to customer-owned DERs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2019

Beneficial Reuse of Industrial CO2 Emissions Using a Microalgae Photobioreactor: Waste Heat Utilization Assessment

Microalgae are a potential means of recycling CO2 from industrial point sources. With this in mind, a novel photobioreactor (PBR) was designed and deployed at a coal-fired power plant. To ascertain the feasibility of using waste heat from the power plant to heat algae cultures during cold periods, two heat transfer models were constructed to quantify PBR cooling times. The first, which was based on tabulated data, material properties and the physical orientation of the PBR tubes, yielded a range of heat transfer coefficients of 19–64 W m−2 K−1 for the PBR at wind speeds of 1–10 m s−1. The second model was based on data collected from the PBR and gave an overall heat transfer coefficient of 24.8 W m−2 K−1. Energy penalties associated with waste heat utilization were found to incur an 18%–103% increase in energy consumption, resulting in a 22%–70% reduction in CO2 capture for the scenarios considered. A techno-economic analysis showed that the cost of heat integration equipment increased capital expenditures (CAPEX) by a factor of nine and increased biomass production costs by a factor of three. Although the scenario is thermodynamically feasible, the increase in CAPEX incurs an increase in biomass production cost that is economically untenable.

Mohler, Daniel T.↗

DOE OSTI2021

Current Developments of Carbon Capture Storage and/or Utilization–Looking for Net-Zero Emissions Defined in the Paris Agreement

An essential line of worldwide research towards a sustainable energy future is the materials and processes for carbon dioxide capture and storage. Energy from fossil fuels combustion always generates carbon dioxide, leading to a considerable environmental concern with the values of CO2 produced in the world. The increase in emissions leads to a significant challenge in reducing the quantity of this gas in the atmosphere. Many research areas are involved solving this problem, such as process engineering, materials science, chemistry, waste management, and politics and public engagement. To decrease this problem, green and efficient solutions have been extensively studied, such as Carbon Capture Utilization and Storage (CCUS) processes. In 2015, the Paris Agreement was established, wherein the global temperature increase limit of 1.5 °C above pre-industrial levels was defined as maximum. To achieve this goal, a global balance between anthropogenic emissions and capture of greenhouse gases in the second half of the 21st century is imperative, i.e., net-zero emissions. Several projects and strategies have been implemented in the existing systems and facilities for greenhouse gas reduction, and new processes have been studied. This review starts with the current data of CO2 emissions to understand the need for drastic reduction. After that, the study reviews the recent progress of CCUS facilities and the implementation of climate-positive solutions, such as Bioenergy with Carbon Capture and Storage and Direct Air Capture. Future changes in industrial processes are also discussed.

Regufe, Maria João (ORCID:0000000327748302)↗

DOE OSTI2022

Role of On-Site Generation in Carbon Emissions and Utility Bill Savings under Different Electric Grid Scenarios

Energy-efficient and sustainable technologies are necessary to lower energy and carbon footprints. Many technologies are being pursued to meet the increasing energy demand in buildings. An attractive option is efficient utilization of available energy resources, including renewables, to support current and future building energy needs while targeting grid resiliency, energy, and environmental security at an affordable cost via on-site cogeneration-based approaches. This must include energy-efficient technologies with lower greenhouse gas emissions and optimized cost, performance, and reliability. This paper presents the economic and environmental benefits associated with power technologies such as thermionics and solid oxide fuel cells. Hybrid configurations consisting of heat pumps, power systems, and renewable photovoltaics in cogeneration and trigeneration modes of operation are presented. The role of such technologies in lowering CO2 emissions while improving energy resiliency and serving the needs of underprivileged communities is discussed. The key barriers of affordability and potential solutions for large-scale implementation of these promising technologies are reviewed. Case studies demonstrating the influence of power rating, electrical efficiency, design configuration, carbon dioxide intensity of the grid, and fuel on annual greenhouse gas emissions are presented for residential and commercial buildings.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2026

Voltage Service Limits Smart Contract Using Distributed Ledger Technology for Electrical Utility Grid with Customer-Owned Generator

Modern electrical grids face growing stability risks from customer-owned generators, especially at points of common couplings (PCCs). Disruptive behavior from power-electronic sources can cause protective relays to isolate problematic generators, making measurement integrity critical. This article presents a distributed ledger technology (DLT) approach that uses smart contracts to evaluate PCC voltage measurements and trigger backup breaker operations. The approach is framed as a verifiable, multi-organization attestation and audit layer, not as a real-time control security mechanism. In the proposed architecture, voltage measurements from a hardware protective relay are anchored on a DLT through the Cyber Grid Guard (CGG) system for attestation by both the grid utility and customer-owned generator. A Voltage Service Limits (VSLs) smart contract evaluates the on-chain measurements against allowable phase-voltage limits derived from the ANSI C84.1 standard. The framework is validated in a hardware-relay-in-the-loop test bed under sustained-undervoltage, sustained-overvoltage, and transient line-to-line fault scenarios. The results show that the VSL smart contract can process these measurements and issue backup breaker actions consistent with the defined service-limit criteria, demonstrating the DLT potential as a verifiable audit layer at the PCC that complements primary protection.

cyber security↗

DOE OSTI2021

Calcium Carbonate Cement: A Carbon Capture, Utilization, and Storage (CCUS) Technique

A novel calcium carbonate cement system that mimics the naturally occurring mineralization process of carbon dioxide to biogenic or geologic calcium carbonate deposits was developed utilizing carbon dioxide-containing flue gas and high-calcium industrial solid waste as raw materials. The calcium carbonate cement reaction is based on the polymorphic transformation from metastable vaterite to aragonite and can achieve >40 MPa compressive strength. Due to its unique properties, the calcium carbonate cement is well suited for building materials applications with controlled factory manufacturing processes that can take advantage of its rapid curing at elevated temperatures and lower density for competitive advantages. Examples of suitable applications are lightweight fiber cement board and aerated concrete. The new cement system described is an environmentally sustainable alternative cement that can be carbon negative, meaning more carbon dioxide is captured during its manufacture than is emitted.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Utilizing Temperature and Brine Inflow Measurements to Constrain Reservoir Parameters During a Salt Heater Test

Brine availability in salt has multiple implications for the safety and design of a nuclear waste storage facility. Brine availability includes both the distribution and transport of brine through a damaged zone around boreholes or drifts excavated into the salt. Coupled thermal, hydrological, mechanical, and chemical processes taking place within heated bedded salt are complex; as part of DECOVALEX 2023 Task E this study takes a parsimonious modeling approach utilizing analytical and numerical one-dimensional simulations to match field measurements of temperature and brine inflow around a heater. The one-dimensional modeling results presented arrive at best-fit thermal conductivity of intact salt, and the permeability and porosity of damaged salt of 5.74 W/m∙K, 10 –17 m 2 , and ≈ 0.02, respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Electron Donor Utilization and Secondary Mineral Formation during the Bioreduction of Lepidocrocite by Shewanella putrefaciens CN32

The bioreduction of Fe(III) oxides by dissimilatory iron reducing bacteria (DIRB) may result in the production of a suite of Fe(II)-bearing secondary minerals, including magnetite, siderite, vivianite, green rusts, and chukanovite; the formation of specific phases controlled by the interaction of various physiological and geochemical factors. In an effort to better understand the effects of individual electron donors on the formation of specific Fe(II)-bearing secondary minerals, we examined the effects of a series of potential electron donors on the bioreduction of lepidocrocite ($γ$-FeOOH) by Shewanella putrefaciens CN32. Biomineralization products were identified by X-ray diffraction, Mössbauer spectroscopy, and scanning electron microscopy. Acetate, citrate, ethanol, glucose, glutamate, glycerol, malate, and succinate were not effectively utilized for the bioreduction of lepidocrocite by S. putrefaciens CN32; however, substantial Fe(II) production was observed when formate, lactate, H 2 , pyruvate, serine, or N acetylglucosamine (NAG) was provided as an electron donor. Carbonate or sulfate green rust was the dominant Fe(II)-bearing secondary mineral when formate, H 2 , lactate, or NAG was provided, however, siderite formed with pyruvate or serine. Geochemical modeling indicated that pH and carbonate concentration are the key factors determining the prevalence of carbonate green rust verses siderite.

58 GEOSCIENCES↗

DOE OSTI2017

Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline

Proline utilization A (PutA) is a bifunctional flavoenzyme that catalyzes the two-step oxidation of l-proline to l-glutamate using spatially separated proline dehydrogenase (PRODH) and l-glutamate-γ-semialdehyde dehydrogenase (GSALDH) active sites. Substrate inhibition of the coupled PRODH-GSALDH reaction by proline is a common kinetic feature of PutAs, yet the structural basis for this phenomenon remains unknown. To understand the mechanism of substrate inhibition, we determined the 2.15 Å resolution crystal structure of Bradyrhizobium japonicum PutA complexed with proline. Proline was discovered in five locations remote from the PRODH active site. Most notably, strong electron density indicated that proline bound tightly to the GSAL binding site of the GSALDH active site. The pose and interactions of proline bound in this site are remarkably similar to those of the natural aldehyde substrate, GSAL, implying that proline inhibits the GSALDH reaction of PutA. Kinetic measurements show that proline is a competitive inhibitor of the PutA GSALDH reaction. Together, the structural and kinetic data show that substrate inhibition of the PutA coupled reaction is due to proline binding in the GSAL site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Utilization of Synthetic Near-Infrared Spectra via Generative Adversarial Network to Improve Wood Stiffness Prediction

Near-infrared (NIR) spectroscopy is widely used as a nondestructive evaluation (NDE) tool for predicting wood properties. When deploying NIR models, one faces challenges in ensuring representative training data, which large datasets can mitigate but often at a significant cost. Machine learning and deep learning NIR models are at an even greater disadvantage because they typically require higher sample sizes for training. In this study, NIR spectra were collected to predict the modulus of elasticity (MOE) of southern pine lumber (training set = 573 samples, testing set = 145 samples). To account for the limited size of the training data, this study employed a generative adversarial network (GAN) to generate synthetic NIR spectra. The training dataset was fed into a GAN to generate 313, 573, and 1000 synthetic spectra. The original and enhanced datasets were used to train artificial neural networks (ANNs), convolutional neural networks (CNNs), and light gradient boosting machines (LGBMs) for MOE prediction. Overall, results showed that data augmentation using GAN improved the coefficient of determination (R 2 ) by up to 7.02% and reduced the error of predictions by up to 4.29%. ANNs and CNNs benefited more from synthetic spectra than LGBMs, which only yielded slight improvement. All models showed optimal performance when 313 synthetic spectra were added to the original training data; further additions did not improve model performance because the quality of the datapoints generated by GAN beyond a certain threshold is poor, and one of the main reasons for this can be the size of the initial training data fed into the GAN. LGBMs showed superior performances than ANNs and CNNs on both the original and enhanced training datasets, which highlights the significance of selecting an appropriate machine learning or deep learning model for NIR spectral-data analysis. The results highlighted the positive impact of GAN on the predictive performance of models utilizing NIR spectroscopy as an NDE technique and monitoring tool for wood mechanical-property evaluation. Further studies should investigate the impact of the initial size of training data, the optimal number of generated synthetic spectra, and machine learning or deep learning models that could benefit more from data augmentation using GANs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

Computational examination of utility scale wind turbine wake interactions

We performed numerical simulations of small, utility scale wind turbine groupings to determine how wakes generated by upstream turbines affect the performance of the small turbine group as a whole. Specifically, various wind turbine arrangements were simulated to better understand how turbine location influences small group wake interactions. The minimization of power losses due to wake interactions certainly plays a significant role in the optimization of wind farms. Since wind turbines extract kinetic energy from the wind, the air passing through a wind turbine decreases in velocity, and turbines downstream of the initial turbine experience flows of lower energy, resulting in reduced power output. Our study proposes two arrangements of turbines that could generate more power by exploiting the momentum of the wind to increase velocity at downstream turbines, while maintaining low wake interactions at the same time. Furthermore, simulations using Computational Fluid Dynamics are used to obtain results much more quickly than methods requiring wind tunnel models or a large scale experimental test.

17 WIND ENERGY↗

DOE OSTI2016

Ammonia Generation and Utilization in a Passive SCR (TWC+SCR) System on Lean Gasoline Engine

Lean gasoline engines offer greater fuel economy than the common stoichiometric gasoline engine, but the current three way catalyst (TWC) on stoichiometric engines is unable to control nitrogen oxide (NOX) emissions in oxidizing exhaust. For these lean gasoline engines, lean NOX emission control is required to meet existing Tier 2 and upcoming Tier 3 emission regulations set by the U.S. Environmental Protection Agency (EPA). While urea-based selective catalytic reduction (SCR) has proven effective in controlling NOX from diesel engines, the urea storage and delivery components can add significant size and cost. As such, onboard NH 3 production via a passive SCR approach is of interest. In a passive SCR system, NH 3 is generated over a close-coupled TWC during periodic slightly rich engine operation and subsequently stored on an underfloor SCR catalyst. Upon switching to lean operation, NOX passes through the TWC and is reduced by the stored NH 3 on the SCR catalyst. In this work, a passive SCR system was evaluated on a 2.0-liter BMW lean burn gasoline direct injection engine to assess NH 3 generation over a Pd-only TWC and utilization over a Cu-based SCR catalyst. System NOX reduction efficiency and fuel efficiency improvement compared to stoichiometric engine operation were measured. A feedback control strategy based on cumulative NH 3 produced by the TWC during rich operation and NOX emissions during lean operation was implemented on the engine to control lean/rich cycle timing. At an SCR average inlet temperature of 350 °C, an NH 3 :NOX ratio of 1.15:1 (achieved through longer rich cycle timing) resulted in 99.7 % NOX conversion. Increasing NH 3 generation further resulted in even higher NOX conversion; however, tailpipe NH 3 emissions resulted. At higher underfloor temperatures, NH 3 oxidation over the SCR limited NH 3 availability for NOX reduction. At the engine conditions studied, greater than 99 % NOX conversion was achieved with passive SCR while delivering fuel efficiency benefits ranging between 6-11 % compared with stoichiometric operation.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Data for "Implications of Zoning Ordinances for Rural Utility-Scale Solar Deployment and Power System Decarbonization in the Great Lakes Region".

This dataset includes the Energy Zoning Database and geographic shapefiles used to identify suitable rural areas for utility-scale solar development. Additionally, it contains the input data required for the capacity expansion model, including information on existing electric generators and their associated costs, solar resource potential, and transmission infrastructure data. These datasets collectively support the analysis presented in the paper, ensuring a comprehensive assessment of zoning regulations, land suitability, and the economic and technical feasibility of solar deployment in rural areas.

Owusu-Obeng, Papa Yaw (ORCID:0000000334385183)↗