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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ultrafast population and structural dynamics of a Ni-bipyridine photoredox catalyst reveal a significant deactivation pathway

The ultrafast excited state pathways and dynamics of NiII-bipyridine complexes influence the yield of photochemical processes involved in their catalytic cross-coupling reactions. Here we present ultrafast Ni K x-ray emission spectroscopy (XES) and x-ray solution scattering (XSS) of a NiII-bipyridine aryl halide complex, [Ni(t-Bubpy)(o-tol)Br], to quantify the excited state population dynamics and structural changes of the pre-catalyst. Due to the local spin-sensitivity of XES, the population dynamics of metal-to-ligand charge transfer (MLCT) and metal-centered (MC) excited states is established. A rapid ground state recovery pathway is newly identified, representing a significant deactivation pathway during photocatalysis. Furthermore, the pseudotetrahedral structure of the long-lived MC excited state is unambiguously identified and refined by XSS. The results advance our understanding of the ultrafast relaxation mechanisms that impact the photocatalytic mechanism and yield for NiII-bipyridine aryl halide cross-coupling catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Engineering Clostridium Tyrobutyricum for High Butanol Production through Induction Expression of Exogenous NADPH-Dependent HBD

Clostridium tyrobutyricum Δ cat 1:: adh E2 is a promising cell factory for butanol production because of its robustness, high butanol tolerance, and minimal butyrate production. However, excessive acetate and ethanol production remains a major bottleneck limiting its butanol yield. Coexpressing an exogenous hbd ( Ck ) encoding the NADPH-dependent 3-hydroxybutyryl-CoA dehydrogenase (HBD) from Clostridium kluyveri with adh E2 could increase the C4 carbon flux, resulting in increased butanol and decreased acetate and ethanol production. However, constitutively overexpressing hbd ( Ck ) in Δ cat 1:: adh E2 shows little improvement in butanol yield, productivity, and selectivity, which might be caused by redox imbalance and growth inhibition. To alleviate this problem, C. tyrobutyricum MΔ cat 1:: adh E2- Pbgal-hbd ( Ck ) with a dynamic expression of hbd ( Ck ) controlled by an inducible promoter was developed. In serum bottle fermentation at 37 °C, when the hbd ( Ck ) expression was induced at 12 h or in the early exponential phase, butanol production increased ∼20% in yield (from 0.22 to 0.27 g/g glucose), 87.5% in productivity (from 0.16 to 0.30 g/L·h), and 52% in selectivity (from 0.46 to 0.70 g/g total products) compared to the control strain without expressing any hbd(Ck), whereas hbd ( Ck ) expression induced at 0 or 24 h in MΔ cat 1:: adh E2-P bgal - hbd ( Ck ) or constitutively in MΔ cat 1:: adh E2-P cat 1- hbd ( Ck ) showed significantly lower butanol yield and productivity. At 25 °C, MΔ cat 1:: adh E2-P bgal - hbd ( Ck ) with 12 h induction produced the highest butanol titer of 23 g/L with 0.32 g/g yield, 0.16 g/L·h productivity, and 0.83 g/g product selectivity due to much reduced acetate formation. Subsequent scale-up to a stirred-tank bioreactor at 37 °C increased productivity to 0.39 g/L·h while also achieving high butanol titer (21.8 g/L), yield (0.30 g/g), and selectivity (0.67 g/g). The optimized induction timing resulted in a balanced NAD(P)H pool, effectively channeling substrates toward butanol biosynthesis. It was concluded that the timing for hbd ( Ck ) expression was critical as it affected glucose catabolism, cell growth, redox balance, and carbon flux distribution. These findings underscore the potential of dynamic metabolic regulation to overcome bottlenecks in biobutanol production, providing a scalable and economically viable bioprocess for industrial application.

Clostridium tyrobutyricum↗
DOE OSTI2026

Nuclear activation analysis of zirconium-90 isomeric and ground-state reactions at the OMEGA Laser Facility

Nuclear activation is a well-established technique for inferring neutron yields in laser direct-drive deuterium–tritium (DT) and deuterium–deuterium (D 2 ) implosions at the OMEGA Laser Facility. Zirconium has long been considered an excellent candidate for measuring DT neutron fusion yields by observing decays of the 90 Zr(n,2n) 89 Zr ground-state reaction. As it has a higher energy threshold than present activation detectors utilizing copper, zirconium provides a means to infer primary neutron yields that are less susceptible to being skewed due to neutron scattering within the experimental environment. However, with a 78.41-h half-life, it is not operationally practical to utilize this reaction for OMEGA experiments, which have a 1-h shot cycle. Zirconium’s 90 Zr(n,2n) 89 mZr reaction presents itself as a viable candidate to infer neutron yields within a shot cycle, given its half-life of 4.16 min. Here, we present an overview of the approach and methodology, utilizing first principles techniques, to infer the primary neutron yields from OMEGA DT fusion experiments by using both the isomeric and the ground-state reaction. Yields inferred from both reactions are compared, which are in good agreement between the two.

Activation analysis↗
DOE OSTI2024

Integration of plant and microbial oil processing at oilcane biorefineries for more sustainable biofuel production

Oilcane—an oil-accumulating crop engineered from sugarcane—and microbial oil have the potential to improve renewable oil production and help meet the expected demand for bioderived oleochemicals and fuels. To assess the potential synergies of processing both plant and microbial oils, the economic and environmental implications of integrating microbial oil production at oilcane and sugarcane biorefineries were characterized. Due to decreased crop yields that lead to higher simulated feedstock prices and lower biorefinery capacities, current oilcane prototypes result in higher costs and carbon intensities than microbial oil from sugarcane. To inform oilcane feedstock development, we calculated the required biomass yields (as a function of oil content) for oilcane to achieve financial parity with sugarcane. At 10 dw% oil, oilcane can sustain up to 30% less yield than sugarcane and still be more profitable in all simulated scenarios. Assuming continued improvements in microbial oil production from cane juice, achieving this target results in a minimum biodiesel selling price of 1.34 [0.90, 1.85] USD∙L –1 (presented as median [5th, 95th] percentiles), a carbon intensity of 0.51 [0.47, 0.55] kg CO 2 e L –1 , and a total biodiesel yield of 2140 [1870, 2410] L ha –1 year –1 . Compared to biofuel production from soybean, this outcome is equivalent to 3.0–3.9 as much biofuel per hectare of land and a 57%–63% reduction in carbon intensity. While only 20% of simulated scenarios fell within the market price range of biodiesel (0.45–1.11 USD∙L –1 ), if the oilcane biomass yield would improve to 25.6 DMT∙ha –1 ∙y –1 (an equivalent yield to sugarcane) 87% of evaluated scenarios would have a minimum biodiesel selling price within or below the market price range.

09 BIOMASS FUELS↗
DOE OSTI2025

Evaluation of Maximum Allowable Working Pressure and Svensson Burst Pressure Recommended in API 579-1 2021 Edition

Abstract API 579-1/ASME FFS-1 2021 Edition provides the minimum wall thickness, the maximum allowable working pressure (MAWP), and the membrane stress equations for thin and thick-walled cylindrical shells subject to internal pressure in Section 2C.3.3.1 of Appendix 2C – Thickness, MAWP, and Stress Equations for an FFS Assessment. The minimum wall thickness and MAWP are determined using the hoop stress and the Tresca yield criterion. Section 2C.7 – Estimation of Burst Pressure newly added the Svensson method for calculating burst pressure of cylindrical shells under internal pressure, where the plastic yielding is characterized by the von Mises yield criterion. For thin-walled cylinders, the von Mises flow solution of burst pressure in Equation (2C.179) was recommended. For thick-walled cylinders, an implicit burst pressure solution in an integral equation (2C.176) was recommended. But this integral equation is inconvenient to use in practice. It is well known that the classic plasticity theory includes the Tresca and von Mises yield criteria, with the Tresca criterion predicting a lower bound solution and the von Mises criteria predicting an upper bound solution. In addition, the present author developed an average shear stress yield criterion that can determine more accurate limit and burst pressures for thin and thick-walled cylinders. This work uses these three yield criteria to evaluate the minimum required wall thickness, MAWP and Svensson burst pressure recommended in the API 579 code.

burst pressure↗
DOE OSTI2024

Novel Microbial Routes to Synthesize Industrially Significant Precursor Compounds

Ethylene is the most widely employed organic precursor compound in industry. The potential to impact ethylene formation via recently discovered microbial processes is tenable using plentiful CO2 feedstocks. The overall long-term objective of this project was to develop an industrially compatible microbial process to synthesize ethylene in high yields. The key objective of this project was to fully define and initially characterized a recently discovered and genetically regulated anaerobic pathway to produce high levels of ethylene called the Dihydroxyacetone Phosphate - Ethylene Pathway in phototrophic bacteria. This was addressed through the following specific aims: 1. Fully probe the catalytic potential of all enzymes of the DHAP ethylene pathway and determine the regulatory mechanism of DHAP-ethylene pathway gene expression. 2. Discover effective and active ethylene enzymes encoded in cultured and uncultured organisms from anoxic environments. 3.Model the thermodynamics and kinetics of ethylene synthetic pathways to guide engineering efforts in integrating best performing DHAP-ethylene pathway enzymes into model bacteria chassis for enhance ethylene yields. Through this project we discovered the initially missing genetic and enzyme component of the DHAP-ethylene pathway that directly synthesized ethylene and other important industrial compounds like methane and ethane from specific substrates. We uncovered and partially characterized a nitrogenase-like reductase that functions in DHAP-ethylene pathway specifically and in methionine synthesis in general. This nitrogenase-like system is called the Methylthio-Alkane Reductase (MAR) for its ability to cleave volatile organic sulfur compounds into methanethiol (CH3-SH) for methionine synthesis and a hydrocarbon byproduct. Key to the DHAP-ethylene pathway, MAR is the essential enzyme that cleaves 2-methylthioethanol (CH3-S-CH2-CH2-OH) into ethylene. Coordinately, we uncovered that the MAR genes and genes associated with conversion of methanethiol (CH3-SH) to methionine are under genetic control of a LysR Type Transcriptional Regulator called SalR, whose activity is dependent upon the amount of sulfate available to the cell. When sulfate as the preferred sulfur source for cell growth drops below 200 micromolar, SalR become active for expressing the MAR and methionine biosynthesis genes to enable the cell to grow from volatile organic sulfur compounds and make ethylene. Metabolic thermos-kinetic modeling revealed that these MAR reactions for ethylene and other hydrocarbon production are highly thermodynamically favorable and are one of the largest driving forces for ethylene production by the DHAP-ethylene pathway for high ethylene yields. Modeling also indicated that a key aldolase and to a lesser extent an isomerase of the DHAP-ethylene pathway for production of the ethylene precursor, 2-methylthioethanol, also would increase ethylene yields. Through metagenomic mining and gene synthesis by the JGI DNA synthesis program, over 500 aldolase and isomerase homologs were synthesized and screened. From this, variants were uncovered with substantially higher activity that increased ethylene yields 5-fold via the aldolase reaction and 1.5-fold via the isomerase reaction. Each of these elements that increase ethylene production were integrated together via plasmid under appropriate gene promoter elements in the phototrophic bacterium, Rhodospirillum rubrum, resulting in at least 3 orders of magnitude increase in ethylene yield from carbon dioxide feedstock.

10 SYNTHETIC FUELS↗
DOE OSTI2026

Creation of Speed-of-Sound Inject Data for Technical Nuclear Forensics

Technical Nuclear Forensics (TNF) exercises simulate a detonation of a nuclear device within the United States, usually in a city. Speed-of-sound (SOS) phenomenology are the atmospheric overpressure and ground shock mechanical motions that are observed at over-pressure (air-blast and infrasound) and seismic sensors, respectively (Figure 1). Amplitudes of SOS data are related to the explosive yield (Kinney and Graham, 1985; Koper et al., 2002; Bonner et al., 2013ab; Ford et al., 2014, 2021; Templeton et al., 2018; Schnurr et al., 2020). Within the country, the United States Prompt Diagnostics System (USPDS) includes a network of geophysical sensors to capture such SOS signals. During the TNF exercise, the event data will be analyzed by the players who know nothing about the technical details of the source (e.g. location, yield, explosive). Specifically, they will use the Integrated Yield Determination Tool (IYDT) to estimate the yield and height-of-burst or depth-of-burial (HOB/DOB). The IYDT allows the user to measure features on the overpressure and seismic channels, evaluate the consistency of features and jointly estimate yield and HOB/DOB. For these exercises, SOS data are simulated for the location, emplacement and yield of the device and signals are propagated to the observing stations. This document describes the steps undertaken in the simulation, validation, preparation and verification of SOS signals for TNF exercises.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Algae Biofilm Produced from Anaerobic Digester Wastewater Demonstrated as Biofertilizer for Dwarf Wheat

Aims: To correlate yield of dwarf wheat fertilized with algae biofilm produced using anaerobic digester effluent (digestate) from a municipal water resource recovery facility as nutrient source and compare with yield using non-algae biofilm based fertilizers and a negative control. Study Design: Greenhouse testing for measurement of biomass yields and statistical analysis of wheat yield data results. Place and Duration of Study: Department of Biological Engineering Algae Processing and Products Facility greenhouse between March and June, 2024. Methodology: Yield of a dwarf cultivar of red spring wheat was measured as a function of four treatments including three fertilizers and a negative control: (1) algae biofilm cultivated on anaerobic digester effluent, (2) positive control of Osmocote commercial slow release fertilizer, (3) anaerobic digester biosolids, and (4) negative control with no fertilizer addition. Results: Average yield values (gm) for the four treatments were: (1) 1.25, (2) 0.99, (3) 0.72, and (4) 0.52, respectively. Algae biofilm fertilizer performed significantly better than Osmocote with P = .002, anaerobic digester biosolids with P = .05, and no fertilizer addition with P = .05. Struvite, a slow release fertilizer, was observed to be associated with the algae biofilm as a precipitate of the high concentrations of nutrients within the anaerobic digester water. Struvite (MgNH4PO46H2O) releases plant available nitrogen and phosphorus over time and is biologically precipitated due to the increase in solution pH as a result of photosynthesis by the algae biofilm. Conclusion: Algae biofilm cultivated on anaerobic digester wastewater can serve as a biofertilizer for recycling nutrients within the biosphere for sustainable nutrient management.

09 BIOMASS FUELS↗
DOE OSTI2025

Evaluation of Maximum Allowable Working Pressure and Svensson Burst Pressure Recommended in API 579-1 2021 Edition

ABSTRACT API 579-1/ASME FFS-1 2021 Edition provides the minimum wall thickness, the maximum allowable working pressure (MAWP), and the membrane stress equations for thin and thick-walled cylindrical shells subject to internal pressure in Section 2C.3.3.1 of Appendix 2C – Thickness, MAWP, and Stress Equations for an FFS Assessment. The minimum wall thickness and MAWP are determined using the hoop stress and the Tresca yield criterion. Section 2C.7 – Estimation of Burst Pressure newly added the Svensson method for calculating burst pressure of cylindrical shells under internal pressure, where the plastic yielding is characterized by the von Mises yield criterion. For thin-walled cylinders, the von Mises flow solution of burst pressure in Equation (2C.179) was recommended. For thick-walled cylinders, an implicit burst pressure solution in an integral equation (2C.176) was recommended. But this integral equation is inconvenient to use in practice. It is well known that the classic plasticity theory includes the Tresca and von Mises yield criteria, with the Tresca criterion predicting a lower bound solution and the von Mises criteria predicting an upper bound solution. In addition, the present author developed an average shear stress yield criterion that can determine more accurate limit and burst pressures for thin and thick-walled cylinders. This work uses these three yield criteria to evaluate the minimum required wall thickness, MAWP and Svensson burst pressure recommended in the API 579 code.

burst pressure↗
DOE OSTI2025

Understanding the Effects of Ash Content on Various Pretreatment Technologies for the Bioconversion of Corn Stover

Here, the study aimed to examine the effects of adding biomass ash on the biochemical processes involved in fermentable sugar production. Corn stover was pretreated using several methods—hot water, dilute acid, alkaline, γ-valerolactone, and ionic liquid methods, each examined with ash loadings of 7.18% and 21.07%. The findings demonstrated that increased ash content adversely affected both pretreatment and enzymatic hydrolysis. Specifically, the total sugar yield was 3 to 16% lower at the higher ash content across all pretreatment methods, and up to 4.01% lower during enzymatic hydrolysis. For acidic pretreatment, the sugar yield decreased as ash content increased. In contrast, ash content had a lesser impact on alkaline pretreatment compared to acidic pretreatment. For example, using corn stover with an ash content as high as 22.65% resulted in only a 2.90% decrease in total sugar yield compared to corn stover without added ash. Further, the primary reasons for the reduced sugar yield in higher ash biomass during acidic pretreatments were likely the neutralizing effect of the ash and decreased acid access to the substrates. During enzymatic hydrolysis, ash reduced the sugar yield by limiting enzyme access to cellulose.

09 BIOMASS FUELS↗
DOE OSTI2024

Optimizing bioenergy sorghum productivity and nutrient removal in Illinois: Impact of nitrogen fertilization under diverse marginal conditions

Bioenergy sorghum (Sorghum bicolor L. Moench) is a promising crop for contributing to the United States bioenergy supply. However, the varying limitations of the marginal lands targeted for its cultivation present a management challenge. This two-year study aimed to investigate how the limitations associated with marginal cropland impact the effects of nitrogen fertilization on the yield of bioenergy sorghum and the uptake of 11 macro- (N, P, K, Ca, Mg, and S) and micronutrients (Fe, Mn, Zn, Cu, and B). The study contrasted prime cropland in central Illinois (Urbana) with three marginal cropland sites in southern (Ewing) and central Illinois (Fairbury and Pesotum). These marginal cropland sites are characterized by varying limitations, including low soil fertility (P and K limitations), leaching and erosion, and flooding, respectively. Four nitrogen rates (0, 56, 112, and 168 kg N ha –1 ) were tested under eight environments. The average yields and ranges of sorghum biomass were 20.2 (17.0–23.2) Mg ha –1 in Urbana, 18.1 (13.1–19.8) Mg ha –1 in Ewing, 13.8 (9.0–17.3) Mg ha –1 in Fairbury, and 23.3 (14.6–33.0) Mg ha –1 in Pesotum. Optimal N rates were 56 N in Pesotum and 112 N in Urbana, Ewing, and Fairbury. Tissue macronutrient contents in Urbana were generally higher than in the marginal croplands, while micronutrient contents did not show discernible trends. Increasing N rate generally correlated with the macronutrient removal except in Ewing. Comparable sorghum biomass yields were observed between prime and marginal croplands (averaging 18.3 Mg ha –1 ), but optimal N rates varied between 56 N and 112 N. This suggests that yield gaps can be narrowed by applying the optimal N rates for the respective locations. However, increased removals of macronutrients, especially P and K, with increasing yields indicate the need to revise fertilizer recommendations, particularly for soils deficient in these nutrients.

09 BIOMASS FUELS↗
DOE OSTI2025

Drought adaptation index (DAI) based on BLUP as a selection approach for drought-resilient switchgrass germplasm

This study introduces a Drought Adaptation Index (DAI), derived from Best Linear Unbiased Prediction (BLUP), as a method to assess drought resilience in switchgrass (Panicum virgatum L.). A panel of 404 genotypes was evaluated under drought-stressed (CV) and well-watered (UC) conditions over four consecutive years (2019–2022). BLUP-estimated biomass yields were used to calculate the DAI, which enabled classification of genotypes into four adaptation groups: very well-adapted, well-adapted, adapted, and unadapted. The DAI was compared with conventional drought tolerance indices, including the Stress Susceptibility Index (SSI), Stress Tolerance Index (STI), Geometric Mean Productivity (GMP), and Yield Stability Index (YSI). Correlation analyses demonstrated strong agreement between DAI and these indices, supporting its validity and consistency. Biplot analyses using the Genotype plus Genotype-by-Environment Interaction (GGE) and Additive Main Effects and Multiplicative Interaction (AMMI) models revealed significant genotype-by-environment interactions (GEI) and identified J222.A, J463.A, and J295.A. A as high-performing genotypes, with J222.A exhibiting greater yield stability across treatments and years. Additionally, DAI isoline curves provided a graphical representation of differential genotype performance under drought and control conditions. These visualizations aided in distinguishing genotypes with stable and superior biomass yield across contrasting environments. Overall, the BLUP-based DAI is a robust and practical selection tool that improves the accuracy of identifying drought-resilient, high-yielding switchgrass genotypes. Its integration into breeding programs offers a comprehensive framework for improving biomass productivity and stress adaptation under variable climatic conditions. The application of DAI supports the development of climate-resilient cultivars and contributes to sustainable bioenergy and forage production systems.

BLUP↗
DOE OSTI2024

Effect of pyrolysis operating conditions on the catalytic co‐pyrolysis of low‐density polyethylene and polyethylene terephthalate with zeolite catalysts

Abstract In this study, the catalytic (co‐)pyrolysis of low‐density polyethylene (LDPE) and polyethylene terephthalate (PET) with HZSM‐5 and HY zeolite catalysts was conducted in a micro‐pyrolysis reactor coupled to a two‐dimensional gas chromatography system. Pyrolysis operating conditions, such as the pyrolysis temperature, the catalyst to feedstock (CF) ratio, and the LDPE:PET ratio, were varied. It was found that for the co‐pyrolysis of LDPE and PET, HZSM‐5 led to higher yields of C2‐C4 olefins and monoaromatic products. Lower CF ratios increased the yield of C2‐C4 olefins for LDPE pyrolysis, but decreased benzene yield for PET pyrolysis, concomitant with an increased yield in benzoic acid. A lower temperature of 400°C which was sufficient for the pyrolysis of LDPE, led to incomplete conversion of PET. Surface response diagrams were used to visualize the impact of the various pyrolysis operating conditions on the yield of C2‐C4 olefins and BTEX, which serve as target products for the circular economy.

Okonsky, Sean Timothy↗
DOE OSTI2025

Hydrolysis of Polyamide 6 to ε‐Caprolactam over Titanium Dioxide

Polyamides (PAs) are an important component of discarded textiles and food packaging. Chemical recycling can recover PA monomers, enabling repolymerization to produce virgin-grade PA. However, contemporary PA chemical recycling methods employ homogeneous catalysts that are hard to separate. Anatase TiO 2 is reported as a catalyst for PA6 hydrolysis at 270 °C for 0.5 h, achieving a maximum ε-caprolactam (CL) yield of 81% (limited by thermodynamic equilibrium). The CL yield decreases upon catalyst reuse, due to loss of catalyst surface area induced by significant changes in catalyst crystallinity and texture. Pretreating the catalyst hydrothermally stabilizes it against morphological changes, yielding repeatable CL yields. Altogether, this study discloses a heterogeneous catalyst capable of producing repeatable equilibrium CL yields via PA6 hydrolysis under industrially relevant reaction temperatures and times (<3 h, 250–330 °C).

depolymerization↗
DOE OSTI2024

Investigating strangeness enhancement with multiplicity in pp collisions using angular correlations

A study of strange hadron production associated with hard scattering processes and with the underlying event is conducted to investigate the origin of the enhanced production of strange hadrons in small collision systems characterised by large charged-particle multiplicities. For this purpose, the production of the single-strange meson ${\textrm{K}}_{\textrm{S}}^0$ and the double-strange baryon Ξ ± is measured, in each event, in the azimuthal direction of the highest-p T particle (“trigger” particle), related to hard scattering processes, and in the direction transverse to it in azimuth, associated with the underlying event, in pp collisions at $\sqrt{s}$ = 5.02 TeV and $\sqrt{s}$ = 13 TeV using the ALICE detector at the LHC. The per-trigger yields of ${\textrm{K}}_{\textrm{S}}^0$ and Ξ ± are dominated by the transverse-to-leading production (i.e., in the direction transverse to the trigger particle), whose contribution relative to the toward-leading production is observed to increase with the event charged-particle multiplicity. The transverse-to-leading and the toward-leading Ξ ± /${\textrm{K}}_{\textrm{S}}^0$ yield ratios increase with the multiplicity of charged particles, suggesting that strangeness enhancement with multiplicity is associated with both hard scattering processes and the underlying event. The relative production of Ξ ± with respect to ${\textrm{K}}_{\textrm{S}}^0$ is higher in transverse-to-leading processes over the whole multiplicity interval covered by the measurement. The ${\textrm{K}}_{\textrm{S}}^0$ and Ξ ± per-trigger yields and yield ratios are compared with predictions of three different phenomenological models, namely Pythia8.2 with the Monash tune, Pythia8.2 with ropes and EPOS LHC. The comparison shows that none of them can quantitatively describe either the transverse-to-leading or the toward-leading yields of ${\textrm{K}}_{\textrm{S}}^0$ and Ξ ± .

hadron-hadron scattering↗
DOE OSTI2026

Optimizing bioenergy biofuel harvest: a comparative analysis of stepwise and integrated methods for economic and environmental sustainability

Switchgrass is a promising bioenergy feedstock due to its high biomass yield potential, adaptability to marginal lands, and low carbon intensity for feedstock production. However, accurate cost estimation and assessment of greenhouse gas (GHG) emissions for the energy-intensive harvesting process are essential for evaluating the sustainability of bioenergy. This study provides a comparative analysis of two harvesting methods: the Stepwise Method, which separates operations into multiple stages, and the Integrated Method, which combines mowing and raking into a single pass. The analysis was conducted under four scenarios based on field sizes and biomass yields. Using three years of field-scale switchgrass harvest data from 125 sites, GHG emissions, energy consumption, and harvesting costs were quantified using the GREET model and techno-economic analysis. Additionally, regression analysis identified key climate and operational factors affecting fuel consumption. The Stepwise method was the most cost-effective for large fields with high biomass yield, achieving the lowest harvesting costs ($37.70 per ton). In contrast, the Integrated Method performed better in small fields and low-yield conditions, reducing GHG emissions by 9 % and energy use by 5 %. Regression analysis confirmed that a larger field size reduced fuel consumption, while higher biomass yield and longer operational time increased fuel use. Maximum temperature also contributed to a slight increase in fuel consumption. Furthermore, these results provide actionable insights for optimizing harvesting strategies based on field-specific conditions and operational goals, contributing to the economic and environmental sustainability of bioenergy production.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Functionalized benzylamines from commercial kraft lignin

Benzylamines are key intermediates in pharmaceuticals, agrochemicals, and polymers, but their conventional production relies on benzyl chloride - a petroleum-derived compound with high toxicity and energy demands. Lignin, accounting for up to 30% of plant biomass, is the largest renewable source of aromatic carbon on Earth. However, its highly complex and recalcitrant structure poses a major barrier to efficient conversion into high-value chemicals. Here, in this study, we developed a catalytic approach to convert commercial kraft lignin into phenolic benzylamines through selective depolymerization and subsequent functionalization. We systematically evaluated the effects of three alcohol solvents, formic acid (FA), and a ruthenium-on‑carbon (Ru/C) catalyst on monophenol yield and selectivity. Up to 6.5 wt% monophenol yield was achieved using methanol (MeOH), FA, and Ru/C at 300 °C for 2 h. Quantum thermodynamic simulations based on the COSMO-RS model confirmed the superior solvation and reactivity of the MeOH + FA system, rationalizing observed product yield. The purified monophenolic products, primarily guaiacol and alkyl guaiacols, were then converted into functionalized benzylamines with >90% yield via a multicomponent Mannich reaction under mild conditions. Techno economic analysis (TEA) and life cycle assessment (LCA) underscore the importance of improving lignin depolymerization yields and expanding biorefinery scale. Solvent-only configurations outperform other options in both cost and emissions, with the methanol-only case performing the best ($\$$105 /kg and 26 kg CO 2e /kg) at a large-scale facility. This study establishes a scalable, bio-based pathway for producing benzylamines from commercial kraft lignin, advancing lignin valorization and offering a sustainable alternative to produce petrochemical-based benzylamines.

Catalytic reduction↗
DOE OSTI2025

Hyperelastic nature of the Hoek–Brown criterion

In this article, we propose a nonlinear elasto-plastic model, for which a specific class of hyperbolic elasticity arises as a straight consequence of the yield criterion invariance on the plasticity level. We superimpose this nonlinear elastic (or hyperelastic) behavior with plasticity obeying the associated flow rule. Interestingly, we find that a linear yield criterion on the thermodynamical force associated with plasticity results in a quadratic yield criterion in the stress space. This suggests a specific hyperelastic connection between Mohr–Coulomb and Hoek–Brown (or alternatively between Drucker–Prager and Pan–Hudson) yield criteria. We compare the elasto-plastic responses of standard tests for the Drucker–Prager yield criterion using either linear or the suggested hyperbolic elasticity. Notably, the nonlinear case stands out due to dilatancy saturation observed during cyclic loading in the triaxial compression test. We conclude this study with structural finite element simulations that clearly demonstrate the numerical applicability of the proposed model.

97 MATHEMATICS AND COMPUTING↗