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All sources NASA NTRS DOE OSTI

DOE OSTI2025

Coordinated Frequency Regulation in Grid-Forming Storage Network via Safety-Consensus

Inverter-based storages are poised to play a prominent role in future power grid with massive renewable generation. Grid-forming inverters (GFMs) are emerging as a dominant technology with synchronous generators (SG)-like characteristics through primary control loops. Advanced secondary-layer control schemes, e.g., consensus algorithms, allow GFM-interfaced storage units to participate in frequency regulations and restore nominal frequency following grid disturbances. However, it is imperative to ensure critical frequency safety limits are not violated while the grid transitions from pre- to post-disturbance operating point. This paper presents a novel safety-enforced consensus method, having three distinct objectives: safe transient frequency evolution, minimizing frequency deviation, and coordinated power sharing. The proposed technique is illustrated using a GFM-interfaced grid-wide storage network on the IEEE 68-bus system under multiple grid transient scenarios.

consensus control↗

DOE OSTI2025

Ubiquity and Causes of Soil Water Preferential Flow Across 17 Ecoregions

Abstract Preferential flow (PF) in soil causes the rapid transport of water, nutrients, and contaminants into the subsurface, influencing groundwater recharge and streamflow. Data scarcity has hindered the quantification of PF occurrence and the identification of its drivers across diverse ecoregions. We address this gap by analyzing high‐frequency, multi‐depth soil moisture data across 17 ecoregions in the USA, using ∼1,500 sensors at 40 sites. We discovered that PF is widespread, with sites experiencing PF in up to 60% of rainfall events ≥2 mm. Multiple approaches consistently show that PF is more likely to occur with increased peak rainfall intensity, finer textured material, low soil moisture variability, humid climate, and higher net primary productivity. This suggests that PF patterns could shift with projected climate changes, increasing uncertainty in predictions of groundwater recharge, water quality, and streamflow generation. Plain Language Summary Water can bypass part of the soil's matrix through a process called preferential flow (PF). This quick transport of water through the soil brings with it nutrients and contaminants and eventually makes it to groundwater and streams. To ensure ample amounts of good quality groundwater and surface water we need to understand when and where PF occurs. We inferred when PF occurred at 40 different sites across 17 ecoregions in the USA using soil moisture and rainfall data. We found that PF happened at all sites and in up to 60% of rainfall events ≥2 mm. Preferential flow was most likely at sites with high rainfall intensities, high clay content in soils, low variability in soil moisture, and high vegetation productivity. As rainfall intensities are predicted to increase due to climate change and vegetation becomes more productive, PF occurrence becomes more important for predicting groundwater recharge, water quality, and streamflow generation. Key Points Preferential flow (PF) is ubiquitous across the USA and occurs in up to 60% of all rainfall events ≥2 mm Rainfall intensity, soil texture, and antecedent soil moisture emerge as critical in generating PF across diverse ecoregions Two different PF detection approaches show similar relationships between key drivers and occurrence of PF

Li, Bonan↗

DOE OSTI2024

Strong Surface-Enhanced Coherent Phonon Generation in van der Waals Materials

Terahertz (THz) coherent phonons have emerged as promising candidates for the next generation of high-speed, low-energy information carriers in atomically thin phononic or phonon-integrated on-chip devices. However, effectively manipulating THz coherent phonons remains a significant challenge. Here, in this study, we investigated THz coherent phonon generation in exfoliated van der Waals (vdW) flakes of Fe 3 GeTe 2 , Fe 5 GeTe 2 , and FePS 3 . We successfully generated the THz A 1g coherent phonon mode in these vdW flakes. An innovative approach involved partially exfoliating vdW flakes on a gold substrate and partially on a silicon (Si) substrate to compare the THz coherent phonon generation between both sides. Interestingly, we observed a significantly enhanced THz coherent phonon in the vdW/gold area compared with that in the vdW/Si area. Frequency-domain Raman mapping across the vdW flakes corroborated these findings. Numerical simulations further indicated a stronger enhanced surface field in vdW/gold structures than in vdW/Si structures. Consequently, we attribute the observed enhancement in THz coherent phonon generation to the increased surface field on the gold substrate. This enhancement was consistent across the three different vdW materials studied, suggesting the universality of this strategy. Our results hold promise for advancing the design of THz phononic and phonon-integrated devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Relevance of anisotropy in the Kondo effect: Lessons from the symplectic case

A Kondo model with symplectic symmetry was recently put forward as the effective low-energy theory of a superconducting-island device coupled to multiple leads. This model, which possesses non-Fermi liquid physics and effective anyons, was argued to belong to the class of topological Kondo effects. Here, we clarify the extent of stability of its exotic fixed point using perturbative and numerical renormalization group in conjunction with bosonization and conformal field theory. In contrast to previous claims, we show that asymmetry in the coupling to the leads destabilizes the non-Fermi liquid. Other destabilizing perturbations include asymmetry in the superconducting pairing or internal energy of the individual quantum dots in the island. Nevertheless, these perturbations all generate the same relevant operators. Thus, only a small number of couplings need to be tuned individually, and these can be selected according to experimental convenience. Our results highlight a common misconception that anisotropy in single-channel Kondo couplings is always irrelevant. As demonstrated, relevant terms will emerge whenever the group generators do not span the full space of impurity operators. This calls for a more detailed inspection of models that exhibit this property, such as large-spin impurities and SO⁡( M ) Kondo models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

XMark: Reliable Multi-Bit Watermarking for LLM-Generated Texts

Multi-bit watermarking has emerged as a promising solution for embedding imperceptible binary messages into Large Language Model (LLM)-generated text, enabling reliable attribution and tracing of malicious usage of LLMs. Despite recent progress, existing methods still face key limitations: some become computationally infeasible for large messages, while others suffer from a poor trade-off between text quality and decoding accuracy. Moreover, the decoding accuracy of existing methods drops significantly when the number of tokens in the generated text is limited, a condition that frequently arises in practical usage. To address these challenges, we propose XMark, a novel method for encoding and decoding binary messages in LLM-generated texts. The unique design of XMark’s encoder produces a less distorted logit distribution for watermarked token generation, preserving text quality, and also enables its tailored decoder to reliably recover the encoded message with limited tokens. Extensive experiments across diverse downstream tasks show that XMark significantly improves decoding accuracy while preserving the quality of watermarked text, outperforming prior methods. The code will be made publicly available upon acceptance.

Xu, Jiahao [University of Nevada, Reno]↗

DOE OSTI2023

Promoting multiexciton interactions in singlet fission and triplet fusion upconversion dendrimers

Abstract Singlet fission and triplet-triplet annihilation upconversion are two multiexciton processes intimately related to the dynamic interaction between one high-lying energy singlet and two low-lying energy triplet excitons. Here, we introduce a series of dendritic macromolecules that serve as platform to study the effect of interchromophore interactions on the dynamics of multiexciton generation and decay as a function of dendrimer generation. The dendrimers (generations 1–4) consist of trimethylolpropane core and 2,2-bis(methylol)propionic acid (bis-MPA) dendrons that provide exponential growth of the branches, leading to a corona decorated with pentacenes for SF or anthracenes for TTA-UC. The findings reveal a trend where a few highly ordered sites emerge as the dendrimer generation grows, dominating the multiexciton dynamics, as deduced from optical spectra, and transient absorption spectroscopy. While the dendritic structures enhance TTA-UC at low annihilator concentrations in the largest dendrimers, the paired chromophore interactions induce a broadened and red-shifted excimer emission. In SF dendrimers of higher generations, the triplet dynamics become increasingly dominated by pairwise sites exhibiting strong coupling (Type II), which can be readily distinguished from sites with weaker coupling (Type I) by their spectral dynamics and decay kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Flow matching meets biology and life science: a survey

Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, catalysis discovery, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Bedrock Vadose Zone Storage Dynamics Under Extreme Drought: Consequences for Plant Water Availability, Recharge, and Runoff

Bedrock vadose zone water storage (i.e., rock moisture) dynamics are rarely observed but potentially key to understanding drought responses. Exploiting a borehole network at a Mediterranean blue oak savanna site—Rancho Venada—we document how water storage capacity in deeply weathered bedrock profiles regulates woody plant water availability and groundwater recharge. The site is in the Northern California Coast Range within steeply dipping turbidites. In a wet year (water year 2019; 647 mm of precipitation), rock moisture was quickly replenished to a characteristic storage capacity, recharging groundwater that emerged at springs to generate streamflow. In the subsequent rainless summer growing season, rock moisture was depleted by about 93 mm. In two drought years that followed (212 and 121 mm of precipitation) the total amount of rock moisture gained each winter was about 54 and 20 mm, respectively, and declines were documented exceeding these amounts, resulting in progressively lower rock moisture content. Oaks, which are rooted into bedrock, demonstrated signs of water stress in drought, including reduced transpiration rates and extremely low water potentials. In the 2020–2021 drought, precipitation did not exceed storage capacity, resulting in variable belowground water storage, increased plant water stress, and no recharge or runoff. Rock moisture deficits (rather than soil moisture deficits) explain these responses.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Tailoring renewable materials via plant biotechnology

Plants inherently display a rich diversity in cell wall chemistry, as they synthesize an array of polysaccharides along with lignin, a polyphenolic that can vary dramatically in subunit composition and interunit linkage complexity. These same cell wall chemical constituents play essential roles in our society, having been isolated by a variety of evolving industrial processes and employed in the production of an array of commodity products to which humans are reliant. However, these polymers are inherently synthesized and intricately packaged into complex structures that facilitate plant survival and adaptation to local biogeoclimatic regions and stresses, not for ease of deconstruction and commercial product development. Herein, we describe evolving techniques and strategies for altering the metabolic pathways related to plant cell wall biosynthesis, and highlight the resulting impact on chemistry, architecture, and polymer interactions. Furthermore, this review illustrates how these unique targeted cell wall modifications could significantly extend the number, diversity, and value of products generated in existing and emerging biorefineries. These modifications can further target the ability for processing of engineered wood into advanced high performance materials. In doing so, we attempt to illuminate the complex connection on how polymer chemistry and structure can be tailored to advance renewable material applications, using all the chemical constituents of plant-derived biopolymers, including pectins, hemicelluloses, cellulose, and lignins.

09 BIOMASS FUELS↗

DOE OSTI2021

Market Brief: Customer-sited Distributed Energy Resources

This market brief summarizes key takeaways from interviews with vendors and service providers in one or more areas of the DER market: DER controls, battery storage, solar photovoltaic, thermal energy storage, combined heat and power, flexible building loads, and electric vehicle charging. Back-up generators used only in emergencies are not in the scope of this market brief.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Vapor-Processing of Metal Halide Perovskite Thin Films and Solar Cells

Metal-halide perovskites are an emerging material for next generation high efficiency solar cells. In this presentation, we review our work in processing metal-halide perovskites via a dry, carrier-gas assisted vapor deposition method, and its ability to be useful for the formation of all-perovskite heterojunctions. We also outline recent work demonstrating the viability of this method for the deposition of lead-based perovskites via co-deposition.

14 SOLAR ENERGY↗

DOE OSTI2023

Enrichment of H2 to CO2 ratio using formic acid as a hydrogen carrier - CRADA 581 (Abstract)

The collaboration between PNNL and OCOchem will investigate approaches to enhance the hydrogen (H2) content from a stream of H2 and carbon dioxide (CO2) gases produced in the catalytic decomposition of aqueous formic acid (FA85). OCOchem uses an electrochemical process to generate FA85 from captured CO2 using electricity from renewable resources. The FA85 is a liquid organic hydrogen carrier (LOHC) that provides the opportunity to transport and store hydrogen, in liquid form, at volumetric densities significantly greater than compressed H2 gas, i.e., 50 grams H2/liter FA. PNNL has developed and tested catalytic reactors to release H2 from LOHCs like FA and aqueous formate salts (FS). The H2 released from the LOHC can be oxidized in a proton-exchange membrane fuel cell (PEM-FC) to generate electricity with water as the only by-product. The purpose of the proposed project is to increase the purity of the hydrogen released from the LOHC to enhance the operation efficiency of the PEM FC. The PEM FC in combination with the LOHC provides an approach to demonstrate a portable generator that utilizes hydrogen as the energy carrier instead of conventional diesel generator. The ‘hydrogen generator’ can be used to supply emergency backup power and significantly reduce CO2 emissions relative to a diesel generator.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2025

Fossil Energy in the Hydrogen Economy – A Carbon-Water-Energy Nexus Adaptive Evaluation Platform

This project develops tools to evaluate fossil energy within the hydrogen economy. In particular, the project seeks to explore the Carbon-Water-Energy Nexus and develop adaptive evaluation tools. The primary goal of this project was to evaluate fossil-based hydrogen production methods with an emphasis on their sustainability, particularly with respect to carbon emissions and water use. The overall technical objectives that guided this evaluation consisted of 1) technology assessment, which sought to establish a comprehensive baseline of existing and emerging technologies for the generation, transportation, storage, and end use of hydrogen derived from fossil fuels, 2) carbon footprint analysis through quantification and analysis of carbon emissions associated with these hydrogen technologies, and identification of novel strategies and technologies that can effectively mitigate the carbon footprint, 3) water intensity assessment by evaluating the water needs (water-energy nexus) associated with different fossil fuel-based hydrogen technologies and proposing strategies to reduce water use, thus ensuring sustainable resource management, and 4) review of regulatory, policy and economic trends were examined to provide an overview of the factors influencing the adoption and integration of fossil fuel-derived hydrogen technologies into current energy markets. Beyond the technical outcomes, this project contributed to 5) education and workforce development through targeted training and educational opportunities for engineering students, preparing the next generation of professionals with technical, economic, and regulatory expertise in the hydrogen economy. Ultimately, this effort was intended to train the future workforce to provide useful insights to policymakers, industry stakeholders, and the broader energy community to facilitate informed decisions and responsible development within the hydrogen economy.

08 HYDROGEN↗

DOE OSTI2025

Switchgrass Best Management Practices for Biofuel Production

Switchgrass is a perennial C 4 grass native to North America and broadly adaptable across the U.S. Its high productivity, low input requirements, and ability to deliver significant ecosystem services benefits, including carbon sequestration, soil conservation, and wildlife habitat, make it well-suited for cultivation on marginal lands. Achieving the U.S. Department of Energy’s projected potential of 1 billion dry tons of biomass annually by 2050 – with switchgrass contributing up to 230 million tons – will require a transition to large-scale, commercial production. This technical guide was developed to provide decision-makers with current best management practices (BMPs) for establishing, managing, and harvesting bioenergy switchgrass at scale on marginal lands across the U.S. Midwest and Great Plains. Drawing extensively on previous field research and insights from the five-year 'Next-Generation Feedstocks for the Emerging Bioeconomy' project – funded by the U.S. Department of Energy’s Bioenergy Technologies Office – this guide provides practical strategies for scaling up switchgrass production to meet the demands of the growing bioeconomy.

Lee, D.K.↗

DOE OSTI2024

Determination of Pion and Kaon Structure Using the Sullivan Process at Moderate to large Fractional Momentum

Significant progress has been made in describing the structure of hadrons in terms of Quantum ChromoDynamics (QCD) degrees of freedom. The recently developed framework of Generalized Parton Distribtions (GPDs) may provide the path towards three-dimensional imaging of the hadronic structure. Integrating the GPDs over the fractional momentum (x), the form factors are obtained which are integrally related to understanding the emergent hadron mass-generating mechanism (EHM) embedded in QCD and the mass-scale that characterizes the proton [Roberts (2016)]. The Sullivan process, in which one scatters electrons off the proton?s virtual meson cloud and thus creates a meson target, is used to probe this structure. Studies of kaon electroproduction offer unique opportunities in this. The last two decades saw a dramatic improvement in the precision of charged meson form factor data, and new results have become available on the transition form factor. The KaonLT experiment (E12-09-011) carried out in Hall C at Jefferson Lab (Jlab) was designed to measure longitudinal/transverse (L/T) separated kaon cross sections required to access form factors and GPDs [Bosted et al. (2008)]. KaonLT aimed to confirm the exclusive kaon electroproduction mechanism, which is essential for determining the kaon form factor and investigating GPDs. The results obtained from this experiment have provided the highest Q2 for L-T separated kaon electroproduction cross section, and it is the first time that a separated kaon cross-section measurement has been carried out above W = 2:2GeV.

Trotta, Richard↗

DOE OSTI2025

Colorado Alternatively Powered Aircraft Airport Infrastructure Study

Advanced Air Mobility encompasses emerging technologies in propulsion of general aviation and commuter aircraft for the purpose of moving passengers and goods. The State of Colorado has a strong aerospace and aviation legacy, and this research explores the potential energy implications of a transition from traditional aircraft propulsion systems to more-electric, full electric and hydrogen powered aircraft in flight schools, and small community air service utilizing NASA's Regional Air Mobility Model. Effort includes identifying potential energy needs and cost-effective solutions to support those emerging needs analyzing potential benefits on on-site generation and storage to optimize energy systems.Advanced Air Mobility encompasses emerging technologies in propulsion of general aviation and commuter aircraft for the purpose of moving passengers and goods. The State of Colorado has a strong aerospace and aviation legacy, and this research explores the potential energy implications of a transition from traditional aircraft propulsion systems to more-electric, full electric and hydrogen powered aircraft in flight schools, and small community air service utilizing NASA's Regional Air Mobility Model. Effort includes identifying potential energy needs and cost-effective solutions to support those emerging needs analyzing potential benefits on on-site generation and storage to optimize energy systems.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2022

Simultaneous optimization of hatching orientations and lattice density distribution for residual warpage reduction in laser powder bed fusion considering layerwise residual stress stacking

The reduction in the residual warpage generated via fabrication is an emerging issue in metals’ laser powder bed fusion additive manufacturing (AM). One solution from a design for additive manufacturing (DfAM) perspective is to arrange a hatching strategy that utilizes the asymmetry of the residual stress generated from a molten pool. Another approach is to arrange the geometry of the parts, such as forming an inner lattice structure to arrange the effective stiffness. In this study, the simultaneous optimization of the laser hatching orientation and lattice density distribution was conducted to minimize the residual warpage in lattice infill structures and confirm their synergetic effect. The mutual effect of each layer was highlighted when considering the mechanical background of the optimal results because an imbalance in the residual stress caused the warpage of the AM parts between the layers. The proposed methodology was validated via experimental verification using a quasi-2D plate, 3D bracket, and 3D connecting-rod design problems. The residual warpage in the quasi-2D study, measured as the edge’s vertical deformation, was reduced from 23.4% to 39.4% compared with the benchmark design. In the 3D studies, the warpage reductions ranged from 13.1% to 20.7%.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Spin Texture Control and Magnetic Gap Engineering in a Ferromagnetic Insulator–Topological Insulator Sandwiched Heterostructure

Quantum materials that combine magnetism with topological order are emerging as key platforms for next-generation spintronics and low-energy electronics. They enable the realization of emergent quantum phenomena, such as the quantum anomalous Hall effect and axion insulator states. The ferromagnetic insulator (FMI)/topological insulator (TI)/FMI sandwich structure of a single-septuple layer (1SL) MnBi 2 Te 4 /four-quintuple layer (4QL) Bi 2 Te 3 /1SL MnBi 2 Te 4 holds great potential to achieve such desirable quantum phenomena at an elevated temperature, owing to its large Dirac point band gap and high Curie temperature. Here, for this work, spin- and angle-resolved photoemission spectroscopy (spin-ARPES) is employed to directly verify that the band gap arises from broken time-reversal symmetry via proximity-driven magnetization. This study demonstrates direct control of the spin state via external magnetic fields and unambiguously confirms the exchange interaction as the gap-opening mechanism. The robust magnetic gap and controllable spin texture make this heterostructure a suitable candidate for spintronic applications and magnetic topological quantum phases.

exchange gap↗