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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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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Quantitative characterization of gradient microstructures: A study on friction stir spot processing of pure cobalt

Heterogeneous microstructures in polycrystalline metals can enhance the strength and ductility, outperforming homogeneous structures of similar composition. This study investigates deformed cobalt via friction stir spot processing with varying dwell times to uncover the effects of plastic deformation and heat generation on the formation of morphological, phase, and grain boundary character gradients. A new approach to quantify the morphological gradients in materials, which describes grain morphology in terms of density followed by parametric regression, enables direct quantification of processing depth and gradient sharpness. Results show that longer processing times increase the steepness of morphological gradients and reduce the deformation depth for friction stir spot processing with low plunge depths and high tool rotational speeds. The amount of retained FCC is increased in the shorter processing conditions, primarily due to refined grain size, increased defect content, and reduced heat generation. Crystallographic texture analysis of the HCP phase indicated a dominant B-fiber described by (0001) ∥ shear plane normal in the extreme processing conditions and the formation of a P-fiber, shear direction ∥ ⟨11$\bar2$0⟩ for intermediate dwell times. The texture of the FCC phase for low processing times was a C texture {100}⟨011⟩ where longer processing times were dominated by a [001] fiber texture with a main {110}⟨100⟩ orientation and emergence of a slight [111] fiber in the longest processing condition. The approaches outlined in this work give insight into quantifying gradients and improve the understanding of highly deformed cobalt.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Barriers and Opportunities for Energy Technology Adoption in Juneau, Alaska

This report presents findings from a qualitative study examining barriers and opportunities for air source heat pump (ASHP) and electric vehicle (EV) adoption in Juneau, Alaska, with a particular focus on manufactured and multifamily housing. The analysis draws on community insights from end users and middle actors to better understand how technology adoption unfolds in contexts with distinct logistical, infrastructural, and housing constraints. The report is organized according to key barriers and opportunities identified through stakeholder input, providing a structured understanding of adoption dynamics across technologies and housing types. These insights are intended to inform program design and support more effective electrification strategies tailored to local conditions. The study team employed qualitative methods to capture both in-depth and high-level perspectives on technology adoption. Data collection included: 1) two 2-hour focus groups with a total of five end users and seven middle actors, enabling detailed and structured discussion and 2) ten semistructured interviews with manufactured home owners, multifamily landlords, and one tenant, providing complementary insights across housing contexts. Focus groups captured accounts of shared challenges and opportunities while interviews offered more concise reflections on individual experiences. Together, these methods enabled a more comprehensive understanding of both systemic barriers and lived experiences with ASHPs and EVs. The findings reveal that adoption of electrification technologies is shaped by a combination of economic, logistical, and informational factors that vary across housing types, technology characteristics, user groups, and other demographic factors. Addressing these factors requires tailored strategies that reflect local conditions and user experiences. The insights in this report can provide a foundation for organizations such as AEL&P to refine program design, support more effective outreach, and anticipate shifts in energy demand associated with increased electrification. More broadly, the study highlights the importance of incorporating community perspectives when developing electrification initiatives to ensure they are both practical and responsive to real-world constraints.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Friction stir processing on a strontium modified, thin-wall, vacuum-assisted high-pressure die-cast Aural-5 alloy to improve tensile and fatigue performance

Here, this study explores the application of friction stir processing (FSP) to enhance the material properties of Sr-modified Aural-5 alloy, with a focus on improved tensile and fatigue properties. Aural-5 is a well-known vacuum-assisted high-pressure die-cast (HPDC) Al-Si7-Mg alloy used in the automotive industry to reduce vehicle weight, enhance fuel efficiency, and lower carbon emissions. This alloy modifies its material chemistry with Sr for fine fibrous networks of eutectic silicon and manganese (Mn) to reduce die soldering. It has significantly less iron (Fe) content resulting in the elimination of detrimental needle-shaped Fe-bearing ß-phase intermetallic and improving ductility. The initial microstructure of as-received HPDC Aural-5 exhibits shrinkage porosity in the middle section, a dendritic microstructure with fibrous Al-Si eutectic colonies, a shear-band structure beneath the die-wall, large dendritic externally solidified crystals (ESCs), needle-shaped Mg 2 Si phase and significant second-phase particulates. Some of those microstructural features, such as porosity, ESCs, needle-shaped Mg 2 Si phase, and large second-phase particles, serve as initiation sites for cracks under mechanical loading, resulting in adverse effects on tensile properties, particularly ductility. FSP effectively transforms the microstructure into a wrought configuration with uniform particle distribution by eliminating porosity and disintegrating dendrites, eutectic colonies, ESCs, second-phase particles, and shear-band structures. FSP-driven microstructure modification enhances yield strength and tensile ductility by ~30% and ~35%, respectively. The fatigue life of the material in a bending mode configuration (stress ratio R = 0.1) after FSP exhibits enhancements ranging from 2.0 to 3.9 times that of the original HPDC Aural-5 alloy, depending on the applied stress level.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Study of the interaction between $Ξ$ baryons and light mesons via femtoscopy at the LHC

Meson-baryon systems with strangeness content provide a unique laboratory for investigating the strong interaction and testing theoretical models of hadron structure and dynamics. In this work, the measured correlation functions for oppositely charged $Ξ$-K and $Ξ$ − 𝜋 pairs obtained in high-multiplicity pp collisions at $\sqrt{𝑠}$ = 13 TeV at the LHC are presented. For the first time, high-precision data on the $Ξ$-K interaction are delivered at small relative momenta. The scattering lengths, extracted via the Lednický–Lyuboshits expression of the pair wavefunction, indicate a repulsive and a shallow attractive strong interaction for the $Ξ$-K and $Ξ$ − 𝜋 systems, respectively. The $Ξ$(1620) and $Ξ$(1690) states are observed in the $Ξ$ − 𝜋 correlation function and their properties, mass and width, are determined. These measurements are in agreement with other available results. Such high-precision data can help refine the understanding of these resonant states, provide stronger constraints for chirally motivated potentials, and address the key challenge of describing the coupled-channel dynamics that may give rise to molecular configurations .

Femtoscopy↗
DOE OSTI2025

A Typology of Decision-Making Tasks for Visualization

Despite decision-making being a vital goal of data visualization, little work has been done to differentiate decision-making tasks within the field. While visualization task taxonomies and typologies exist, they often focus on more granular analytical tasks that are too low-level to describe large complex decisions, which can make it difficult to reason about and design decision-support tools. In this paper, we contribute a typology of decision-making tasks that were iteratively refined from a list of design goals distilled from a literature review. Our typology is concise and consists of only three tasks: CHOOSE, ACTIVATE, and CREATE. Although decision types originating in other disciplines exist, we provide definitions for these tasks that are suitable for the visualization community. Our proposed typology offers two benefits. First, the ability to compose and hierarchically organize the tasks enables flexible and clear descriptions of decisions with varying levels of complexities. Second, the typology encourages productive discourse between visualization designers and domain experts by abstracting the intricacies of data, thereby promoting clarity and rigorous analysis of decision-making processes. We demonstrate the benefits of our typology through four case studies, and present an evaluation of the typology from semi-structured interviews with experienced members of the visualization community who have contributed to developing or publishing decision support systems for domain experts. Our interviewees used our typology to delineate the decision-making processes supported by their systems, demonstrating its descriptive capacity and effectiveness. Finally, we present preliminary findings on the usefulness of our typology for visualization design.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Reaction Mechanism of Electrodeposited ε-MnO 2 : A Proton-Centered Pathway in Aqueous Zn-Ion Systems

Aqueous Zn/MnO 2 batteries have garnered significant interests owing to their abundance, high theoretical specific capacity, safety, and low cost. However, large-scale application of these systems is limited by the incomplete understanding of the MnO 2 reaction chemistry. The different crystal lattice structures among MnO 2 polymorphs contribute to the variations in reported reaction mechanisms. Among them, ε-MnO 2 polymorph, the dominant phase in electrolytic manganese dioxide (EMD), is notably observed during the charge cycles of aqueous Zn/MnO 2 batteries. Here, in this work, we investigate the electrochemical behavior of an ε-MnO 2 cathode synthesized via electrodeposition from a ZnSO 4 and MnSO 4 electrolyte, onto a 3-dimensional carbon cloth substrate. Proton intercalation emerges as the dominant charge storage mechanism, critically enabling the reversibility of ε-MnO 2 during cycling, as revealed by operando synchrotron X-ray diffraction and X-ray absorption spectroscopy. Additionally, a proton-coupled dissolution/redeposition pathway operates alongside minor Zn 2+ intercalation, as quantified by Rietveld refinement. Morphological and chemical heterogeneities are studied by transmission X-ray microscopy further validates this reaction mechanism. These mechanistic insights provide the foundation for rationally designing Zn/MnO 2 batteries with optimized proton dynamics and charge transfer, advancing these systems as a viable solution for safe, cost-effective grid-scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Computational insights into hydrogen adsorption energies on medium-entropy oxides

High entropy oxides (HEOs) have emerged as promising catalysts for several important chemical transformations including alkane activation. Hydrogen adsorption energy (HAE) has been used as a key descriptor for many reactions including methane C–H activation and hydrogen evolution reactions. Hence, understanding the relationship between HAEs and the surface chemistry of HEO surfaces could lay the foundation for meaningful correlations among methane C–H activation, HAE, and the complex, local environment of HEO surfaces. Here, we used a medium-entropy oxide as a prototypical system – Mg 0.25 Ni 0.25 Cu 0.25 Zn 0.25 O with a rock-salt structure – to interrogate these relationships. We sampled 2000 different surfaces of its (100) plane and calculated the HAEs at randomly chosen surface O sites using density functional theory (DFT). Our analysis of the 2000 data points reveals that the HAEs at the surface O sites are significantly influenced by the local environment around the adsorption sites, particularly the nature of the metal atom directly below the surface O site where H adsorbs. After comparing several popular graph-neural-network-based machine learning models, we found that the DimeNet++ model performed best achieving satisfactory accuracy in predicting HAEs for both Mg 0.25 Ni 0.25 Cu 0.25 Zn 0.25 O and slightly varied compositions. Our work underscores the promise of such models and the need for further refinement to address the complexity of HEOs.

Song, Haohong [Vanderbilt Univ., Nashville, TN (Un↗
DOE OSTI2025

Refining T c Prediction in Hydrides via Symbolic‐Regression‐Enhanced Electron‐Localization‐Function‐Based Descriptors

Hydrogen‐based materials are able to possess extremely high superconducting critical temperatures, T c s , due to hydrogen's low atomic mass and strong electron–phonon interaction. Recently, a descriptor based on the Electron Localization Function (ELF) has enabled the rapid estimation of the T c of hydrogen‐containing compounds from electronic networking properties, but its applicability has been limited by the small size and homogeneity of the training dataset used. Herein, the model is re‐examined, compiling a publicly available combined dataset of 244 binary and ternary hydride superconductors. The analysis shows that though ELF‐based networking remains a valuable descriptor, its predictive power declines with increasing compositional complexity. However, by introducing the molecularity index, defined as the highest value of the ELF at which two hydrogen atoms connect, and applying symbolic regression, the accuracy of the predictions can be substantially enhanced. These results establish a more robust framework for assessing superconductivity in hydride materials, facilitating accelerated screening of novel candidates through integration with crystal structure prediction methods or high‐throughput searches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

A critical verification of beam and shell models of wind turbine blades

Ever-increasing wind turbine size has challenged predictive capabilities on several fronts. Here, to address part of the blade structural modeling uncertainty, a systematic model fidelity comparison study was conducted on commonly used finite elements. pyNuMAD was utilized to create beam, shell, and solid models of a 100 m long blade undergoing large static deflections. The solid model avoided the use of layered-solid elements by resolving core and facesheet layers. An unprecedented model with 73.7 million elements revealed insights that have never been possible from prior experimental and numerical studies. As compared to the solid element model, the tip deflection from the shell and beam model was found to be about 2% and 4.3% too low, respectively. The twist from the beam model was found to be about 5.6% too high, while the twist from shell model was 24% too low, though improvement was demonstrated with mesh refinement. The beam model adhesive stresses were more accurate than the shell model. Out-of-plane stresses were of great significance near geometric and material discontinuities, and neither the shell nor beam model captured these effects well. Failure predictions from beam, shell, or layered-solid models are unlikely to be reliable at trailing edges, adhesives, ply-drops, spar-cap boundaries.

17 WIND ENERGY↗
DOE OSTI2026

Reaching quantum critical point by adding nonmagnetic disorder in single crystals of superconductor (Ca 𝑥 ⁢Sr 1−𝑥 ) 3 ⁢Rh 4 ⁢Sn 13

The Remeika series superconductor, (Ca 𝑥 ⁢Sr 1−𝑥 ) 3 ⁢Rh 4 ⁢Sn 13 , shows a rare nonmagnetic quantum critical point (QCP) associated with the continuous charge-density wave (CDW) and structural transition under the “dome” of superconductivity achieved by tuning composition and applying pressure. Here, we use a nonmagnetic pointlike disorder induced by 2.5 MeV electron irradiation to suppress the CDW and drive the system to and even beyond the QCP. This conclusion is based on a clear evolution of temperature-dependent resistivity, 𝜌⁡(𝑇), from the Fermi liquid to the non-Fermi liquid regime with increasing amount of disorder. Starting on the CDW side, below the suggested QCP concentration of 𝑥 𝑐 =0.9, added disorder resulted in a progressively larger linear term and a reduced quadratic term in 𝜌⁡(𝑇). Nearly perfect 𝑇−linear dependence is observed at the dose at which long-range CDW order is suppressed to 𝑇=0, consistent with the expectations. We refine the QCP location in this system and place it in the interval between 𝑥=0.75 and 0.85. Our results strongly support the concept that the disorder can tune the system to the quantum critical regime and even beyond. It follows from the argument by Imry and Ma that any ordered phase is unstable toward quenched disorder. Introduced in a controlled way, this disorder becomes a nonthermal tuning parameter likely applicable to a variety of different systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Thermally driven surface phase separation in intermetallic alloys

Intermetallic compounds are widely recognized for their high-temperature phase stability and resistance to composition and structural changes. However, we reveal athermally activated bulk-to-surface mass exchange mechanism that drives surface phase separation, resulting in the formation of surface precipitates with distinct composition andstructure from the bulk matrix. Using the archetypal β-NiAl system, we show that asymmetries in vacancy formation energies between Ni and Al atoms induce preferential Ni segregation to the surface, forming Ni-rich γ'-Ni 3 Al precipitates. By integrating in-situ electron microscopy, synchrotron X-ray absorption spectroscopy and first-principles computational modeling, we establish a direct mechanistic connection between bulk thermal defect dynamics, surface compositional evolution, and phase segregation behavior. This bulk-surface coupling mechanism can be a driver of surface phase separation in multicomponent alloys under thermal stress. In conclusion, these results refine the thermodynamic boundaries of intermetallic stability and provide insights into managingthe performance and durability of intermetallic alloys for demanding high-temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Boron Nitride-Driven Strengthening of Aluminum Composites via Friction Stir Processing

Friction stir welding and processing (FSW/P) has emerged as an effective solid-state joining technique for fabricating metal matrix composites (MMCs), offering improved mechanical properties through refined microstructural evolution. In this study, an aluminum-boron nitride nanoparticle (Al-BNNP) composite was synthesized via FSW, and its indentation-based mechanical properties were systematically evaluated. Microhardness mapping across the weld cross-section revealed a progressive increase in hardness toward the stir zone (SZ), attributed to severe plastic deformation, dynamic recrystallization (DRX), and the reinforcing effect of BNNPs. Profilometry-based indentation plastometry (PIP) inferred yield strength (YS) demonstrates a 47.8% increase compared to the base metal (BM) and a 75% improvement compared to FSP pure aluminum reported in literature. This enhancement is attributed to strengthening mechanisms, including grain boundary pinning, load transfer, and increased dislocation density. The strain rate sensitivity (SRS) measurements at the nanoscale demonstrated a substantial decrease in the SZ, correlated with ultrafine grain structures and strong BNNP-matrix interactions. Activation volume analysis revealed a significant reduction in the SZ, suggesting that dislocation motion is increasingly restricted by dislocation-dislocation and dislocation-particle interactions. These findings suggest that incorporating BNNPs in FSW/P enables tailoring the microstructure without thermal degradation of the secondary particles, thereby significantly enhancing the mechanical performance of aluminum composites, particularly for structural applications in aerospace and automotive industries.

Aluminum↗
DOE OSTI2025

Systematic Bayesian evaluation of resonance parameters in 19 Ne for the 15 O ⁡(𝛼, 𝛾)⁢ 19 Ne and 18 F ⁡(𝑝, 𝛼)⁢ 15 O reactions

Here, we present a comprehensive evaluation of the nuclear structure properties of 19 Ne using a novel and rigorous Bayesian statistical framework. Precise characterization of 19 Ne resonance parameters is critical for accurately determining reaction rates of the astrophysically significant 15 O ⁡(𝛼, 𝛾)⁢ 19 Ne and 18 F ⁡(𝑝, 𝛼)⁢ 15 O reactions, which govern breakout from the hot CNO cycle in x-ray bursts and influence 𝛾-ray emission in novae, respectively. By reconstructing likelihood functions from published experimental data—including asymmetric uncertainties and upper or lower limits—we derive posterior distributions for resonance energies, decay widths, and branching ratios. Our Bayesian approach systematically incorporates previously reported discrepancies among measurements, providing a statistically robust and consistent treatment of these uncertainties. The evaluated resonance parameters and associated uncertainties provide crucial input for stellar nucleosynthesis modeling, contributing to a refined understanding of explosive astrophysical phenomena.

Kim, Sohyun H. [Sungkyunkwan Univ., Suwon (Republi↗
DOE OSTI2025

In-situ neutron radiography of pore-water movement in portland cement mortar under subzero temperature exposure: Insights from D 2 O-H 2 O systems

Neutron radiography was employed in this study to monitor real-time pore water movement in portland cement mortar exposed to subzero temperatures, providing novel insights into freeze-thaw (F-T) damage mechanisms. Deuterated water (D 2 O) was used to hydrate the cement in the mortar specimens, and the pore structure was saturated with water (H 2 O), allowing for a contrast that enabled detailed tracking of water movement predominantly in the pore structure. Furthermore, the mortar sample was placed on a chiller plate set to subzero temperatures, thereby providing a one-dimensional temperature gradient vertically in the sample. Neutron radiography revealed that unfrozen water migrated upward as the freezing front advanced, which can create hydraulic pressure within the mortar microstructure and may contribute to the initiation and propagation of microcracks during F-T cycles. Additional characterization of the concrete made with D 2 O showed a marked contrast to the samples made with H 2 O, including delayed hydration, diminished compressive strength, and greater porosity. Therefore, while mortar made with D 2 O allowed for greater neutron contrast to the pores filled with H 2 O, further study is required to produce mortars with similar properties to those made with H 2 O. In addition, further refinement is needed to the radiography experiment to allow for greater control of temperatures and potential quantification of the water concentration.

Air-void system↗
DOE OSTI2025

2024 Incubator Final Report: Active Hybrid Mooring

This Incubator project has defined and developed a representation of an active hybrid mooring (AHM) system in Simulink to assess whether the speed and accuracy of AHM is sufficient to warrant further investigation in a larger project. We first built a representative mooring system for the VolturnUS-S 15MW floating offshore wind turbine (FOWT) in 1,000-meter water depth to provide baseline loads and displacements needed in the AHM system, with the results showing off-the-shelf actuators would be practical. We then defined model configurations for the numerical and physical substructures, using standalone MoorDyn v2 with a novel input strategy and chained hydraulic actuators represented in Simulink Simscape, respectively. The remainder of the project has focused on verifying the existing models for speed and accuracy against OpenFAST simulations, increasing their complexity to enable six degree of freedom (6DOF) operation, and connecting the numerical and physical substructures into a single holistic model. The verification phase of the project has shown promising results, though further refinement is needed to resolve accuracy discrepancies and for robust performance across a wider range of metocean conditions. The numerical model we developed is computationally stable and operates faster than real time using a time step of 0.01 seconds or shorter, indicating the model is likely fast enough for our AHM design to operate successfully. Additionally, the Simscape model of a hydraulic actuator operates with less than 0.3% relative error when actuating mooring loads from an OpenFAST simulation of the VolturnUS-S 1,000-meter mooring system. The aforementined refinements will be performed in the next year as a Continuing Incubator, with key remaining tasks include programming the predictor-corrector loop to minimize movement error, testing against more complex nonlinear wave cases, and expanding to enable loads from connected shared mooring lines.

17 WIND ENERGY↗
DOE OSTI2026

Modeling of injected current stream-induced 3D perturbations in local helicity injection plasmas

Solenoid-free tokamak startup techniques are essential for spherical tokamaks and offer a pathway to cost reduction and design simplification in fusion energy systems. Local helicity injection (LHI) is one such approach, employing compact edge current sources to drive open field line current that initiates and sustains tokamak plasmas. The recently commissioned Pegasus-III Experiment provides a platform for advancing this and other solenoid-free startup methods. This study investigates the effect of LHI on magnetic topology in Pegasus-III plasmas. A helical filament model represents the injected current, and the linear plasma response to its three-dimensional field is calculated with M3D-C1. Poincaré mapping reveals substantial flux surface degradation in all modeled cases. The onset of overlapping magnetic structures and large-scale surface deformation begins near Ψ N ≈ 0.37, indicating a broad region of perturbed topology extending toward the edge. In rotating plasmas, both single-fluid and two-fluid models exhibit partial screening of the n = 1 perturbation, with two-fluid calculations showing stronger suppression near the edge. In contrast, the absence of rotation leads to strong resonant field amplification in the single-fluid case, while the two-fluid case with zero electron rotation mitigates this amplification and preserves edge screening. Magnetic probe measurements indicate that modeling the stream with spatial spreading—representing distributed current and/or oscillatory motion—better reproduces measured magnetic power profiles than a rigid filament model. The results underscore the role of rotation and two-fluid physics in screening stream perturbations and point to plasma flow measurements and refined stream models as key steps toward improving predictive fidelity.

Schaefer, Carolyn E. [Univ. of Wisconsin, Madison,↗
DOE OSTI2026

Role of Si substitution in modulating the coercivity and magnetic anisotropy in Fe3CoB2 nanocrystallites

In this work, we report the impact of Si substitution on the structural and magnetic properties of Fe3CoB2 nanocrystallites as a rare-earth-free hard-magnet candidate. X-ray diffraction confirmed the formation of the tetragonal phase with an average crystallite size of ∼40 nm, while the transmission electron microscopy image revealed nanosized crystallites embedded in an amorphous matrix. Room-temperature Mössbauer spectra exhibited two sextets and two doublets, indicating magnetically ordered Fe sites in the tetragonal phase along with high-spin paramagnetic FeIII species in disordered regions. ZFC–FC magnetization curves displayed field-dependent blocking behavior, consistent with paramagnetic Fe species. Singular point detection measurements revealed a high anisotropy field of ∼10.7 kOe in the pristine Fe3CoB2, and systematically decreased with Si substitution. Magnetization measurements revealed a monotonic decrease in saturation magnetization with Si content, while coercivity was observed to increase, likely due to microstructural refinement. These results establish Fe3CoB2 as a rare-earth-free material with strong magnetic anisotropy, ideal for hard magnets.

Abbas, Hur [Department of Physics, University of T↗
DOE OSTI2026

Effect of H 2 O on the ethylene glycol/alkali dismantling of bagasse for high-value conversion

Using a high-boiling alcohol system to dismantle main components of biomass is a feasible technology. Reducing dismantle operating costs and improving dismantle efficiency are essential for promoting the green, economical, and sustainable development of biomass refining. Therefore, based on the low cost and chemical properties of H 2 O at high temperature, the effects of different H 2 O dosages in NaOH-catalyzed ethylene glycol (HBAA) system on the dismantling efficiency of bagasse, surface lignin coverage, recovered-lignin activity and enzymatic hydrolysis efficiency were investigated. Compared with the HBAA dismantling system without H 2 O, the HBAA system with 60% w/v H 2 O can obviously increase the removal rates of lignin and hemicellulose, while recovering up to 99% of cellulose and significantly declining surface lignin coverage, thus enhancing the enzymatic hydrolysis efficiency. Additionally, the results of density functional theory calculations and 2D HSQC NMR analysis prove that the synergy between H 2 O and ethylene glycol can promote the esterification reaction occurrence at the α-C carbon cation in β-O-4 structure of lignin, thereby protecting the β-O-4 aromatic ether bond. Simultaneously, when the H 2 O dosage increase from 0% to 60%, the enzymatic yield increases from 84.51% to 93.74% with an enzyme load of 10 FPU/g. Based on experimental results, this study conducted a techno-economic analysis of bagasse dismantling for ethanol and co-production of lignin, achieving a minimum ethanol selling price of $\$$1.07 per kg. Here, in this study, a green and economical solution for dismantling the main components of bagasse is developed, which is important for the high-value conversion of bagasse.

Ethylene glycol↗