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At least 1,333 records · Page 74

Finding the missing pieces: filling gaps that impede the translation of omics data into models

High-throughput omics technologies such as DNA sequencing have made the sequencing and computational assembly of microbial genomes recovered from the environment relatively routine. Computational inference of the protein products encoded by these genomes, and the associated biochemical functions, should enable the accurate prediction and modeling of microbial metabolism, organismal interactions, and ecosystem processes. However, a lack of scalable, probabilistic protein annotation tools limits the full potential of modeling for understanding the metabolism and biogeochemical cycles of microbial communities. Our approach to improve inference of protein annotations and metabolic models relied on learning from and emulating expert manual curation, leveraging software engineering and data science best practices to scale up the throughput and accuracy of annotations and metabolic model construction, building software to objectively evaluate different annotation strategies, and more closely linking the protein annotation and metabolic model inference process. Outcomes of this research include several improved or new computational tools, including DRAM (Distilled and Refined Annotation of Metabolism) for annotating microbial genomes with protein function and metabolic traits, CAMPER (Curated Annotations for Microbial Polyphenol Enzymes and Reactions) for annotating key polyphenol metabolisms, EC-Bench for comprehensive and unbiased benchmarking of annotation tools, and several apps available via the DOE Systems Biology Knowledgebase (KBase) for building genome-scale metabolic models. We demonstrate that these tools allow us to scalably annotate and understand thousands of genomes for microbial communities from a variety of systems and test cases, including rivers, thawing permafrost, and gut microbiomes. All of these computational tools are available as open-source software, with most broadly and easily accessible to the scientific community via KBase apps.

59 BASIC BIOLOGICAL SCIENCES↗

Restoring Homes After Wildfires, Interviews with Practitioners about Common Cleanup Approaches and Knowledge Gaps

This document summarizes the key themes from our interviews with 10 remediation companies regarding common approaches used to remove odor and contaminants from homes impacted by fire and smoke damage Remediation companies are in agreement that thorough cleaning is the first step. Cleaning and removing contaminants from homes impacted by wildfires may be sufficient to eliminate smoke odor, which is the most important step when it comes to reducing exposure to any residues that may pose health risks to residents. Remediation companies differ in their approaches to addressing odors, such as using ozone generators, hydroxyl generators, chlorine dioxide treatment, thermal fogging and applying sealants. Their opinions of what works and why differs. There is little consensus on efficacy, safety, or application protocols. For example, some view ozone very favorably, while others would prefer using other methods. The influence of insurance companies in their coverage for some methods but not others also impact the decision about the approaches used. Remediation companies differ in their view on laboratory testing for contaminants, which may be partly influenced by insurance companies as well.

99 GENERAL AND MISCELLANEOUS↗

Final DOE-ASR Report for the Project “Using LASSO to bridge the gap between model and observations and to learn about atmospheric convection”

Atmospheric convection spans a wide range of spatial and temporal scales and involves complex interactions with the surrounding dynamic and thermodynamic environment, particularly over tropical continental regions. These processes remain a major source of uncertainty in weather and climate models, including persistent biases in the diurnal cycle of convective precipitation that directly affect estimates of climate sensitivity. Addressing these challenges requires the combined use of high-resolution observations and cloud-resolving modeling frameworks. In this context, the DOE Atmospheric Radiation Measurement (ARM) program’s Large-Eddy Simulation ARM Symbiotic Simulation and Observation (LASSO) activity provides a powerful platform that pairs comprehensive observations with numerical simulations to enable process-level understanding of atmospheric convection. Within this context, this Research and Development Partnership Pilot (RDPP) project was designed to initiate and expand DOE ARM/ASR research capacity at minority-serving institutions, while advancing scientific understanding of convective processes over the Amazon rainforest. Consistent with the RDPP mission, the project emphasized partnership development, training, and workforce capacity building alongside exploratory research activities. On the scientific side, the project produced two peer-reviewed journal articles, and one manuscript currently under review (see list in section 3.1). Together, these studies combine long-term ARM observations and cloud-resolving and convection-permitting modeling to investigate the environmental controls on the shallow-to-deep convective transition during the Amazon wet season. The results demonstrate the central role of early-day moisture preconditioning and large-scale dynamical forcing in regulating isolated deep convection, provide mechanistic insight into convective evolution, and establish physically informed modeling frameworks for future sensitivity experiments. These scientific outcomes are described in sections 2.1 to 2.3 and were disseminated in 8 conference presentations (see section 3.2) and 5 invited talks (see section 3.3), reflecting broad engagement with our community. Equally important, the project achieved its RDPP capacity-building objectives (see section 2.4). A sustained research partnership was established among the University of Maryland, Baltimore County (UMBC), Morgan State University (MSU), and Howard University (HU), and extended to include collaboration with Pacific Northwest National Laboratory (PNNL). The project organized multiple multi-day training events focused on ARM data, LASSO simulations, and quantitative analysis methods, directly engaging students, postdoctoral researchers, and faculty across institutions. These activities broadened participation in ASR research and led to independent adoption of LASSO workflows by students beyond the immediate project team. Finally, the project successfully positioned the participating institutions to pursue future DOE research. Preliminary scientific results, coupled with strengthened partnerships and technical capacity, enabled the submission of follow-on proposals to DOE ASR funding opportunities. In this way, the project fulfilled the RDPP goal of seeding durable research capacity and laying the foundation for larger-scale, sustained engagement with DOE ARM and ASR programs.

54 ENVIRONMENTAL SCIENCES↗

Data Centers Gap Analysis [Slides]

Data centers and other large loads are a significant driver of unprecedented, near-term demand growth in the United States. Power system planners, utilities, regulators, and other stakeholders are grappling with how to integrate data centers on the system without comprising reliability, resiliency, and energy affordability. NLR is pursuing work to develop a siting and decision-making tool that would draw on power systems modeling expertise to achieve granular representation of trade-offs involved in data center sitting and development. This slide deck supports the same workstream by reviewing the literature to identify mitigation options to facilitate near-term integration of large loads and by presenting options for pursuing data development and/or modeling projects to improve representation of siting options.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Leadership at Interfaces: Capitalizing on the "Gaps" in Science, Technology and Education [Slides]

Leadership in the scientific enterprise is most commonly exemplified by those who commandeer major discoveries and critical breakthroughs that expand boundaries, naturally underpinning a competitive spirit among peers in the field. However, many other leadership opportunities exist at the interfaces of such boundaries - as well as at the interfaces of scientific disciplines, classes of professions and across generations - and may enable alternative guiding philosophies that are intrinsically less prone to competition and saturation, and perhaps appreciation. This presentation features a personal reflection of scientific and leadership philosophies that were intentionally manifested at, and by, irreplaceable interfaces of human creativity. Reaction engineering, an increasingly vanishing discipline within chemical engineering, is emphasized as a manifestation of interfacial leadership and serves as a vehicle to trace pivotal career moments in both the speaker's scientific discoveries and in his relational values within human enterprises.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Securing Grid Communications Infrastructure: Addressing Gaps Beyond NERC CIP Facility Perimeters

The North American electric grid relies on a complex communications infrastructure that extends beyond facility perimeters traditionally covered by NERC Critical Infrastructure Protection (CIP) standards. While CIP requirements have significantly strengthened cybersecurity within Electronic Security Perimeters, many operational communications—such as those between control centers, substations, and third-party networks—fall outside current regulatory scope. As grid modernization introduces new technologies and connectivity models, these external pathways present evolving security challenges. This brief explores the nature of these challenges, including emerging attack vectors and supply chain considerations, and highlights how ongoing grid transformation increases exposure to sophisticated threats. It outlines practical strategies and policy options to complement existing standards, such as expanding secure communications practices, enhancing supply chain transparency, and fostering collaboration among federal, state, and industry stakeholders. Near-term actions like encryption, authentication, and contractual safeguards can help reduce risk while longer-term frameworks are developed to ensure resilient and secure grid operations.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Solutions to Droop and the Green Gap by Novel Carrier Injection

Long-wavelength (green, yellow, red) visible light-emitting diodes (LEDs) have historically been inefficient compared to blue light-emitters in the III-nitrides. This is due to many factors, including poor material quality due to the low growth temperatures required for high Incomposition InGaN quantum wells (QWs), and the polar nature of the III-nitride crystal structure. Spontaneous and piezoelectric polarization in the III-nitrides causes enhanced quantum-confined Stark effect (QCSE), which spatially separates electrons and holes and reduces radiative recombination (ie: light output) from the devices. Polarization in the crystal also induces additional potential barriers that electrons and holes must cross over before entering the QWs where they can recombine to emit light. Both of these polarization effects worsen as emission wavelength increases, making blue III-nitride LEDs are the most efficient and red III-nitride LEDs the least efficient. The focus of this project has been solving the latter polarization-related issue through the implementation of V-defects in long wavelength LEDs. V-defects are morphological defects which are commonly observed in c-plane III-nitrides. They are observed as hexagonal pyramid-shaped depressions on the c-plane surface, with six semipolar sidewalls. They typically form at the apex of threading dislocations (TDs) under conditions of kinetically-limited growth and low growth-temperature. They were initially thought to be detrimental to LED performance and much early work focused on eliminating them entirely from III-nitride devices. However, over the past decade work has emerged that indicate that they can improve LED performance by allowing electrons and holes to bypass the polarization-induced barriers present in the c-plane and directly enter the QWs of an LED. This is due to the semipolar nature of the V-defect sidewall: these sidewalls are thin and lack the polarization-induced barriers which prevent carriers easily moving between layers. V-defects have since been determined to be an efficient avenue by which to inject electrons and holes into the c-plane QWs where they can recombine to emit light. Throughout this project we have explored lateral injection through a variety of methods: simulation (Task 2), epitaxial growth of V-defect and non-V-defect LEDs (Tasks 1, 3, 4, 5, 6), and advanced characterization methods (Task 7). All tasks have been completed. A description of each task completed follows from this section.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Technical and Economic Assessment and Gap Analysis of Advanced Nuclear Reactor Integration with a Reference Methanol Synthesis Plant

Efforts continue to identify the most-economic methods to decarbonize several sectors of the United States (U.S.) economy. Industrial processes such as synfuel synthesis and high value commodity chemicals rely heavily on energy-dense and easily stored and transported fossil fuels, which power and feed their operations. Steam methane reforming (SMR) is a widely used process for producing methanol. In this process, methane (CH 4 ) from natural gas (NG) reacts with steam (H 2 O) over a catalyst at high temperatures (700°1,000°C) to produce syngas, a mixture of hydrogen (H 2 ) and carbon monoxide (CO). The syngas is then converted into methanol (CH 3 OH) through a second catalytic reaction. This method is known for being an efficient and commonly employed pathway for industrial methanol production. The high-temperature heat needed for SMR, which is currently used in the natural-gas-to-methanol process, cannot be supplied by small modular nuclear reactor (SMNR) direct heating; the temperatures required for the SMR process exceed those of the main steam produced by near-market high-temperature gas reactors (HTGRs). For the conventional methanol process, this leaves possible nuclear-integration opportunities that include: (1) blending nuclear hydrogen into the SMR NG fuel, or (2) assessing alternative synthesis routes leveraging nuclear capabilities and steam electrolysis outputs. In the reference methanol plant, SMR provides the methanol-synthesis reactor with H 2 and co. In Case (2), the state-of-the-art reverse water gas shift (RWGS) pathway achieves the same, sourcing carbon from an industrial CO 2 source.

08 - HYDROGEN↗

West Coast Offshore Wind Transmission Literature Review and Gaps Analysis

This review of the state of west coast OSW transmission research organizes the body of literature to date and describes the most impactful grid integration analysis and convening opportunities. It is intended as a scan of the landscape to ground impactful investments, which will guide state and federal entities and private developers to maximize net value of west coast OSW to the Nation.

17 WIND ENERGY↗