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At least 199 records · Page 11

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DOE OSTI2023

A structural blueprint for interleukin-21 signal modulation

Interleukin-21 (IL-21) plays a critical role in generating immunological memory by promoting the germinal center reaction, yet clinical use of IL-21 remains challenging because of its pleiotropy and association with autoimmune disease. To better understand the structural basis of IL-21 signaling, we determine the structure of the IL-21-IL-21R-γc ternary signaling complex by X-ray crystallography and a structure of a dimer of trimeric complexes using cryo-electron microscopy. Guided by the structure, we design analogs of IL-21 by introducing substitutions to the IL-21-γc interface. These IL-21 analogs act as partial agonists that modulate downstream activation of pS6, pSTAT3, and pSTAT1. These analogs exhibit differential activity on T and B cell subsets and modulate antibody production in human tonsil organoids. These results clarify the structural basis of IL-21 signaling and offer a potential strategy for tunable manipulation of humoral immunity.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Intrinsic reactivity and dissolution characteristics of tetracalcium aluminoferrite

Tetracalcium aluminoferrite is one of the main phases of Portland cement, the dissolution characteristics of which however have not been fully revealed. This work adopted first-principles calculations and Mössbauer spectroscopy as well as X-ray diffraction analysis to clarify the intrinsic reactivity of different species of tetracalcium aluminoferrite crystals. Ca ions are the most reactive species of tetracalcium aluminoferrite and Al ions are slightly more reactive than Fe ions. Moreover, the tetrahedral Al and Fe ions are more reactive than the octahedral Al and Fe ions. These indicate dissolution characteristics of tetracalcium aluminoferrite crystals, namely, Ca ions dissolve first and the tetrahedral species dissolve faster than the octahedral species. After the initial dissolution, the dissolved ions nucleate and grow on the defective surface of C{sub 4}AF and the C{sub 4}AF residues are fully hydroxylated. The further hydration thereafter becomes the complex dissolution with the nucleation and growth of hydration products.

36 MATERIALS SCIENCE↗

DOE OSTI2026

A Generalized Grain-Scale Model for the Non-Plasma and Plasma-Assisted Hydrogen Direct Reduction of Iron Ore

Direct Reduction of Iron ore using hydrogen (H-DRI) is a promising pathway towards efficient steelmaking and accurate predictive models are a necessity for scale-up and optimization of this technology. However, accurate models of this process remain limited because existing models oversimplify grain-scale phenomena, such as nonlinearity inside grain, self-sufficient porosity, surface reactions, and the role of plasma species. These phenomena are important for flash steelmaking and plasma-assisted H-DRI processes. To address this need, we present a phenomenological model for simulating H-DRI at the scale of a single micron-sized grain of the iron ore. We call this the Transient Reactive Grain Model (TRGM). TRGM incorporates key physical process: gas species transport, a chemical kinetics of material conversion, nanopore structural evolution and, adsorption-desorption surface kinetics at the reactive nanopore surface. The important contribution of this work is that the model provides a dependence on different reductant species, specifically hydrogen atoms versus molecules, so that role of hydrogen plasma reduction can be clarified compared to the use of pure hydrogen gas reduction. TRGM predictions agree well with experimental data for both molecular H2 reduction of Fe2O3 and plasma hydrogen reduction of Fe3O4. Results reveal species concentration gradients with a diffuse reaction zone, and enhanced hydrogen diffusion at the grain outer surface due to evolving porosity. These findings challenge common assumptions in existing models, including sharp reaction fronts, quasi-steady diffusion and kinetics, and the neglect of surface chemistry. As a generalized grain-scale model for H-DRI processes, TRGM has practical applications in flash steelmaking and in-flight reduction using both molecular and plasma hydrogen.

08 HYDROGEN↗

DOE OSTI2022

Tea consumption and risk of bladder cancer in the Bladder Cancer Epidemiology and Nutritional Determinants (BLEND) Study: Pooled analysis of 12 international cohort studies

Tea has been shown to be associated with reduced risk of several diseases including cardiovascular diseases, stroke, metabolic syndrome, and obesity. However, the results on the relationship between tea consumption and bladder cancer are conflicting. This research aimed to assess the association between tea consumption and risk of bladder cancer using a pooled analysis of prospective cohort data. Individual data from 532,949 participants in 12 cohort studies, were pooled for analyses. Cox regression models stratified by study centre was used to estimate hazard ratios (HR) and corresponding 95% CIs. Fractional polynomial regression models were used to examine the dose–response relationship. A higher level of tea consumption was associated with lower risk of bladder cancer incidence (compared with no tea consumption: HR = 0.87, 95% C.I. = 0.77–0.98 for low consumption; HR = 0.86, 95% C.I. = 0.77–0.96 for moderate consumption; HR = 0.84, 95% C.I. = 0.75–0.95 for high consumption). When stratified by sex and smoking status, this reduced risk was statistically significant among men and current and former smokers. In addition, dose–response analyses showed a lower bladder cancer risk with increment of 100 ml of tea consumption per day (HR-increment = 0.97; 95% CI = 0.96–0.98). A similar inverse association was found among males, current and former smokers while never smokers and females showed non-significant results, suggesting potential sex-dependent effect. Higher consumption of tea is associated with reduced risk of bladder cancer with potential interaction with sex and smoking status. Further studies are needed to clarify the mechanisms for a protective effect of tea (e.g. inhibition of the survival and proliferation of cancer cells and anti-inflammatory mechanisms) and its interaction with smoking and sex.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2026

An experimental and kinetic modeling study of the ignition of 2-methyl decane

Ignition delay times (IDTs) of 2-methyl decane (C 11 H 24 -2) are measured in a high-pressure shock tube and in a rapid compression machine at equivalence ratios in the range 0.5–2.0 at 90 % dilution, at temperatures in the range 600–1430 K and at pressures of 15 and 30 bar. To clarify the effect of the branched methyl group on fuel oxidation, IDTs of n-undecane (nC 11 H 24 ) are also measured at similar conditions to those measured for C 11 H 24 -2. A new chemical kinetic mechanism, using C3MechV4.0.1 as the core chemistry, is developed and validated against the new experimental data. The thermodynamic properties of the fuel (RH), alkyl (Ṙ), alkyl peroxy (RȮ 2 ), hydroperoxy-alkyl (Q̇OOH), and peroxy hydroperoxy alkyl (Ȯ 2 QOOH) radicals are updated in both the C 11 H 24 -2 and nC 11 H24 models using THERM25. A reaction path flux analysis for C 11 H 24 -2 at different temperatures was conducted. Compared to nC 11 H 24 , C 11 H 24 -2 shows slower reactivity. At low and intermediate temperatures, the chain propagation pathway Q̇OOH ↔ C 11 cyclic ether + ȮH is favored for C 11 H 24 -2, while the chain branching pathway Q̇OOH ↔ Ȯ 2 QOOH ↔ C 11 carbonyl hydroperoxide (KHP) + ȮH is suppressed, leading to lower reactivity compared to nC 11 H 24 . At high temperatures, the presence of the branched methyl group inhibits the direct decomposition of the fuel, resulting in reduced C 2 H 4 formation, which in turn suppresses the reactivity of the fuel.

2-methyl decane↗

DOE OSTI2026

Effects of cleavable comonomer structure and crosslinker chemistry on the performance and deconstructability of frontally cured pDCPD composites

Reclaiming undamaged carbon fiber from thermoset composites requires chemical recycling methods that leverage complete deconstruction of the polymer matrix. Cleavable comonomers enable chemical recycling of poly(dicyclopentadiene) (pDCPD) composites, but current systems suffer from reduced glass transition temperature (T g ), limiting application. Here, we investigate the effect of cleavable comonomer loading and cleavable crosslinker chemistry on network formation, thermomechanical properties, and fiber recovery in frontally cured pDCPD composites. All formulations fully deconstructed in acid and recovered fibers ranged from pristine to variably contaminated depending on crosslinker chemistry. Reducing backbone-cleaving comonomer content and introducing cleavable crosslinkers raised composite T g to 126–138 °C compared to 105 °C previously reported in deconstructable pDCPD composites. Although the cleavable crosslinkers increased T g in unreinforced polymers to 150–160 °C, the fiber-reinforced composite T g remained lower due to under-curing and interactions between the crosslinkers and the fiber surface. Increasing polymerization initiator loading improved comonomer conversion and yielded a deconstructable composite with T g = 151 °C, approaching the performance of non-deconstructable pDCPD composites (T g = 161 °C). This work clarifies how cleavable comonomer and crosslinker chemistry governs curing, thermomechanical performance, and reclaimed reinforcement quality, and the results highlight the need for more robust cleavable comonomers to realize multigenerational composite materials without sacrificing thermomechanical performance.

Carbon fibers↗

DOE OSTI2023

Protective role of silicon in the high-temperature oxidation of titanium

We investigated the oxidation of pure titanium and Ti-0.8 at.% Si at 800 ° C in Ar-O 2 and O 2 to clarify how dilute silicon additions enhance the oxidation resistance of titanium. The effect of silicon stemmed from differences in oxide growth rather than oxygen dissolution in the metal. Initially, silicon reduced outward oxide growth and completely eliminated inward growth, which we attributed to the continuous Ti 5 Si 3 layer formed at the oxide-metal interface. Furthermore, after breakdown of the Ti 5 Si 3 layer, the oxide — containing silicon — became lamellar but remained more compact and possibly slower growing than the oxide on pure titanium.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Role of niobium in the high-temperature oxidation of titanium

Here, we compared the oxidation of Ti and Ti-2 at.% Nb at 800°C in Ar-20% O 2 and in sequential 16 O 2 - 18 O 2 atmospheres to clarify the role of niobium in the high-temperature oxidation of titanium. Niobium had no effect on the amount of oxygen dissolved in the metal or on oxygen diffusion in the metal. Instead, niobium enhanced oxidation resistance by segregating to TiO 2 grain boundaries, where it likely slowed outward Ti diffusion. These findings spotlight doping of TiO 2 grain boundaries as a strategy for improving the oxidation resistance of Ti alloys and, more generally, TiO 2 -forming alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Role of nitrogen in the high-temperature oxidation of titanium alloys

Here, we characterized the oxidation of pure Ti, Ti-0.8Si, and Ti-2Nb at 800 °C in N 2 -20% O 2 and in sequential isotopically labeled N 2 -20% O 2 atmospheres to clarify how nitrogen influences the high-temperature oxidation mechanisms of titanium alloys. The alloys always exhibited a nitride layer beneath a compact oxide scale with localized nitrogen concentrations in the underlying metal. Nitrogen is found to limit the oxygen concentrations in the metal. The synergy between alloying and nitrogen helps maintain compact oxide scales, preventing the formation of the lamellar scales observed during oxidation in nitrogen-free atmosphere and the oxidation of pure Ti regardless of the atmosphere.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Comparative genomics of Aspergillus nidulans and section Nidulantes

Aspergillus nidulans is an important model organism for eukaryotic biology and the reference for the section Nidulantes in comparative studies. In this study, we de novo sequenced the genomes of 25 species of this section. Whole-genome phylogeny of 34 Aspergillus species and Penicillium chrysogenum clarifies the position of clades inside section Nidulantes. Comparative genomics reveals a high genetic diversity between species with 684 up to 2433 unique protein families. Furthermore, we categorized 2118 secondary metabolite gene clusters (SMGC) into 603 families across Aspergilli, with at least 40 % of the families shared between Nidulantes species. Genetic dereplication of SMGC and subsequent synteny analysis provides evidence for horizontal gene transfer of a SMGC. Proteins that have been investigated in A. nidulans as well as its SMGC families are generally present in the section Nidulantes, supporting its role as model organism. The set of genes encoding plant biomass-related CAZymes is highly conserved in section Nidulantes, while there is remarkable diversity of organization of MAT-loci both within and between the different clades. This study provides a deeper understanding of the genomic conservation and diversity of this section and supports the position of A. nidulans as a reference species for cell biology.

Theobald, Sebastian [Technical University of Denma↗

DOE OSTI2026

Identification of pressure points in modern power systems using transfer entropy

Power shortages disrupt daily life, economic activity, and essential services. In modern power systems, weather is an increasingly important driver of reliability: high temperatures raise demand and limit transmission capacity, and calm or cloudy periods reduce wind and solar supply. Using a data-driven analysis, this study identifies grid infrastructure whose operating patterns help predict power shortages. The results show that reliability risks often emerge from interacting stresses across generation, transmission, and demand, rather than from single bottlenecks. By clarifying how system stress propagates through the grid, this diagnostic perspective helps explain why shortages occur under specific conditions and can complement traditional planning and operational tools to support adaptive reliability strategies, targeted monitoring, and coordinated infrastructure investments.

power systems↗

DOE OSTI2025

Bipolar transport in diamond under photo-excitation: Evidence of free charge scattering by excitons

The fundamental characteristics of the Coulomb e-h interactions in ultra-pure diamond are investigated through time-resolved photoconductivity measurements in homogeneously photoexcited samples with ohmic-like low resistive B + sandwich contacts. Here, we demonstrate that, in the electric field, the bipolar charge mobility exhibits drastic reduction for photo-injected densities of 10 14 ‐10 16 cm ‐3 that cannot be explained only by mutual scattering between free e-h particles. This phenomenon is clarified by adding scattering caused by excitons whose density grows in the photo-exited system. The comparison of drift mobilities at 300 K in diamond obtained in this study and in pure Si and Ge obtained from literature, where exciton scattering is insignificant, is presented. We derive the empirical expression for the density dependences of bipolar mobility for the electric fields up to 1 kV/cm that could be useful for the development of diamond electronic devices.

Bipolar drift↗

DOE OSTI2023

How reliable is distribution of relaxation times (DRT) analysis? A dual regression-classification perspective on DRT estimation, interpretation, and accuracy

The distribution of relaxation times (DRT) has gained increasing attention and adoption in recent years as a versatile method for analyzing electrochemical impedance spectroscopy (EIS) data obtained from complex devices like fuel cells, electrolyzers, and batteries. The DRT deconvolutes the impedance without a priori specification of a generative model, which is especially useful for interpretation and model selection when the governing principles of the system under study are not fully understood. However, DRT estimation is an ill-posed inversion problem that must be addressed with a subjective choice of regularization and tuning, which leaves substantial risk of misleading interpretations of EIS data. In this work, we suggest a new classification view of the DRT inversion to clarify DRT estimation and interpretation. We introduce a dual regression-classification framework that unifies the classification and regression views of the DRT inversion with wide-reaching implications for DRT analysis. The dual framework is employed to demonstrate a new kind of DRT inversion algorithm and develop novel evaluation metrics that capture previously ignored aspects of DRT accuracy. These approaches are applied to both synthetic data and experimental spectra collected from a protonic ceramic fuel cell and a lithium-ion battery to illustrate their broad utility. The dual inversion algorithm shows promising performance for accurate DRT estimation and autonomous model identification, while the dual evaluation approach produces metrics that meaningfully assess the strengths and risks of DRT algorithms. Here this work provides valuable insight for both practical application of the DRT to experimental data and further development of EIS analysis methods.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Short-Run Marginal Emission Factors Neglect Impactful Phenomena and are Unsuitable for Assessing the Power Sector Emissions Impacts of Hydrogen Electrolysis

This comment reacts to Ruhnau and Schiele's (2023) assessment of the cost and emissions impacts of electrolytic hydrogen production operating under different green hydrogen certification requirements in the EU. We critique the paper's use of short-run marginal emissions rates to estimate emissions impacts, a methodology which the literature has shown to be inadequate for assessing the full lifecycle emissions impacts of electricity sector interventions. We hope that our response clarifies the need to consider induced structural change when assessing the greenhouse gas emissions impacts of electricity sector decisions at all scales.

electricity↗

DOE OSTI2020

The Future of Sensitivity Analysis: An essential discipline for systems modeling and policy support

Sensitivity analysis (SA) is en route to becoming an integral part of mathematical modeling. The tremendous potential benefits of SA are, however, yet to be fully realized, both for advancing mechanistic and data-driven modeling of human and natural systems, and in support of decision making. In this perspective paper, a multidisciplinary group of researchers and practitioners revisit the current status of SA, and outline research challenges in regard to both theoretical frameworks and their applications to solve real-world problems. Six areas are discussed that warrant further attention, including (1) structuring and standardizing SA as a discipline, (2) realizing the untapped potential of SA for systems modeling, (3) addressing the computational burden of SA, (4) progressing SA in the context of machine learning, (5) clarifying the relationship and role of SA to uncertainty quantification, and (6) evolving the use of SA in support of decision making. An outlook for the future of SA is provided that underlines how SA must underpin a wide variety of activities to better serve science and society.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Governing in Time: Temporal Capacity and the Feasibility of Energy Transitions

Energy systems function as both technological systems and temporal institutions that shape how societies coordinate, justify, and support collective choices over time. This paper introduces the concept of governance horizons to explain why energy transitions can remain morally supported yet become institutionally weak under increasing pressure. We argue that governability depends on institutions' capacity to synchronize across multiple timeframes - aligning short-term decisions with intermediate coordination and long-term commitments. When this synchronization fails, transitions struggle not because their goals are dismissed, but because governance lacks sufficient time to justify, coordinate, and uphold decisions. Comparative analysis of San Antonio, Texas, and Interior Alaska reveals how energy system pressures generate distinct temporal configurations: San Antonio exhibits governance horizon stretching, where institutions must simultaneously meet near-term reliability demands and long-term transformation goals, while Interior Alaska exhibits horizon compression, where extreme environmental constraints force decision-making into short stabilization cycles. In both contexts, public support for sustainability goals coexists with institutional strain because evaluative judgments are unevenly distributed over time. A temporal configuration analysis is introduced as a diagnostic analytic stance for identifying these patterns. By treating temporal alignment as an explanatory variable rather than a background condition, this approach clarifies how feasibility, sequencing, and legitimacy are shaped by constraints on institutional time. The analysis demonstrates that successful energy transitions depend not only on technological innovation or institutional support, but on governance systems’ ability to sustain credible coordination across multiple time horizons.

Comparative case study↗

DOE OSTI2026

Phase change material-to-refrigerant heat exchangers: Experimental validation and uneven melting analysis

Thermal energy storage (TES) using phase change materials (PCMs) enables load shifting and reduces mismatches between the building's thermal demand and the heat pump (HP) system's thermal capacity. While most TES studies have focused on single-phase heat transfer fluids, PCM-to-refrigerant heat exchangers (PRHX), in which the refrigerant undergoes liquid-vapor phase change, remain largely underexplored. Here, to address this gap, this study systematically investigates a shell-and-tube PRHX operating as the condenser in an HP through experiments and simulations. A two-dimensional enthalpy-based finite-volume PRHX model was developed and validated against experimental data, including refrigerant and PCM temperature profiles, PRHX capacity, and system-level performance. Results show three characteristic stages: Stage I, the condenser temperature rapidly increases with PCM in the solid state absorbing sensible heat; Stage II, stable operation during PCM phase change; and Stage III, performance decline once part of the PCM becomes fully melted. Heat transfer analysis revealed that uneven PCM melting along the condenser length was driven primarily by variations in the refrigerant-side heat transfer coefficient, rather than local approach temperature differences. Further study demonstrated that minimizing refrigerant outlet subcooling led to more uniform PCM melting and extended Stages I and II by up to 89%. This paper provides a validated PRHX model, clarifies the mechanisms of uneven PCM melting, and highlights subcooling control as an effective strategy to improve TES performance in HP systems without requiring secondary loops.

Graphite matrix↗

DOE OSTI2025

Solution of the linear wave-particle kinetic equation for global modes of arbitrary frequency in a tokamak

The linear response of a plasma to perturbations of arbitrary frequency and wavelength is derived for any axisymmetric magnetized toroidal plasma. An explicit transformation to action-angle coordinates is achieved using orthogonal magnetic coordinates and the Littlejohn Lagrangian, establishing the validity of this result to arbitrary order in normalized Larmor radius. The global resonance condition for compressional modes is clarified in more detail than in previous works, confirming that the poloidal orbit-average of the cyclotron frequency gives the desired result at lowest order in Larmor radius. The global plasma response to the perturbation at each resonance is captured by a poloidal and gyroaverage of the perturbing potential. A “global gyroaveraging” of the potential is a natural by-product of this analysis which takes into account the changing of the magnetic field over an orbit. The resonance condition depends on two arbitrary integers which completely separately capture the effects poloidal non-uniformity and finite Larmor radius in generating sidebands. We learn that poloidal sidebands generated for compressional modes are dominated by the change in gyrofrequency over the orbit, which is very different to shear modes where the gyrofrequency only contributes via a finite Larmor radius effect. This increases the number of bounce harmonics required to compute the linear drive, giving a more complicated resonance map. An example calculation is given comparing resonance of shear and compressional modes in a published DIII-D case.

Compressional↗