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DOE OSTI2022

Observational process data analytics using causal inference

Voluminous process data are available with the paradigm shift toward smart manufacturing. However, most historical data are observational, containing noncausal correlations due to confounders and mediators. Estimating causal effects from observational data remains a bottleneck in leveraging them for active applications such as optimization and control. Further, this work aims to introduce a causal modeling framework for analyzing observational process data and extracting quantitative causal information. We demonstrate a real-world application in steel manufacturing where causal inference is used to analyze observational production data and improve the steelmaking process. Additionally, we propose a novel formulation for identifying critical process parameters from observational data, where causal inference is combined with variance-based methods to estimate corresponding risks of interventions to the manufacturing system. The proposed methods are compared with statistical ones to illustrate that causally interpreting statistical correlation leads to problematic results, while the provided workflow generates satisfactory strategies for process improvement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Correlating Impacts of Injected Fuels on Carbon Emissions in Blast Furnace with Computational Fluid Dynamics Modeling

A major challenge for steelmaking is the reduction of CO 2 emissions. In this regard, the blast furnace (BF) is critical due to the high associated CO 2 levels. This investigation assesses the impact of tuyere‐injected fuels on BF CO 2 emissions. Specifically, computational fluid dynamics results obtained previously at Purdue University Northwest are analyzed to obtain CO 2 emissions when natural gas (NG), syngas, hydrogen, or hydrogen/NG are injected. CO 2 emissions are compared with those produced when 95 kg of NG/thm is injected. Among these scenarios, the largest CO 2 reduction occurs when 102 kg of syngas/thm (COG feedstock #1) is injected at 973 K, reducing CO 2 by 190.6 kg thm −1 . The largest CO 2 reduction obtained with NG occurs when 130 kg thm −1 is injected at 600 K, reducing emissions by 65 kg thm −1 . H 2 injection also reduces CO 2 , but requires careful adjusting to reach stable operation. For instance, injecting 35 kg of H 2 /thm reduces CO 2 by 52 kg thm −1 . Increasing gaseous injection rates can significantly reduce CO 2 emissions, with fuel preheating providing an addendum, but high injection rates can lead to unstable operation. Furthermore, results show a correlation between CO 2 emissions and average temperature of shaft region for multiple fuels and injection conditions.

Metallurgy & Metallurgical Engineering↗

DOE OSTI2024

Recycling Perspectives of Electric Arc Furnace Slag in the United States: A Review

This article presents a comprehensive review of electric arc furnace (EAF) slag recycling in the United States, examining its classification and the associated challenges and opportunities of its industrial use. The study affirms EAF slag's nonhazardous status. Here, the main challenges identified in EAF slag applications include substantial variations in composition and volume instability during/after hydration. Analysis of the U.S. recycling practices reveals that EAF slag is predominantly reused, with minimal landfill disposal. However, its prevalent use as a low value-added aggregate in construction applications underscores the industry's ongoing challenge to get additional value from EAF slag recycling. Despite these challenges, the study highlights a great potential for increased value extraction from EAF slag recycling. Beyond conventional applications as a clinker material for the cement industry, the review explores modern technologies for steelmaking slag recycling, revealing options for recovering valuable metals such as Cr, V, Mo, and Fe through methods such as leaching, reduction, and oxidation.

42 ENGINEERING↗

DOE OSTI2025

Elucidating Pore Network Evolution in Laboratory‐ and Shaft‐Furnace Hydrogen‐Reduced Iron Pellets Using Nanotomographic Characterization

Direct reduced iron (DRI) is an increasingly important feedstock for modern steelmaking. Fundamental research into DRI properties is limited by the discrepancy between the behavior of industrially produced pellets and laboratory‐produced pellets, leading to nongeneralizable conclusions from laboratory work. Here, in this study, a detailed nano‐computed tomographic characterization of ore pellets, hydrogen DRI reduced in a pilot‐scale shaft furnace, and laboratory‐reduced DRI is presented to better understand the microstructurally influenced property differences between the two. The shaft‐furnace‐reduced pellets show lower overall porosity but larger average pore volume thickness and solid volume thickness than the laboratory‐reduced pellets. This effect is attributed to increased sintering behavior in the shaft furnace case. All pellet types show almost entirely connected pore volumes. The tortuosity of the pores is shown to increase with a degree of reduction, though the shaft furnace pellets show lower tortuosity than the laboratory‐reduced pellets. Again, this difference is attributed to the larger pore volume thickness for shaft‐furnace‐reduced pellets.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Red Mud: From Industrial Waste to a Flux for Manufacturing Sustainable Iron/Steel

Here, this study highlights the potential of red mud/bauxite residue, an industrial waste product generated during alumina extraction as a flux for iron and steelmaking. The thermodynamic feasibility of using red mud as a flux in the presence of different reducing agents is evaluated. Potential approaches to decarbonize iron and steel production while utilizing red mud as a flux, as well as the benefits of red mud remnant after iron extraction, are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Technologies and policies to decarbonize global industry: Review and assessment of mitigation drivers through 2070

Fully decarbonizing global industry is essential to achieving climate stabilization, and reaching net zero greenhouse gas emissions by 2050–2070 is necessary to limit global warming to 2 °C. This paper assembles and evaluates technical and policy interventions, both on the supply side and on the demand side. It identifies measures that, employed together, can achieve net zero industrial emissions in the required timeframe. Key supply-side technologies include energy efficiency (especially at the system level), carbon capture, electrification, and zero-carbon hydrogen as a heat source and chemical feedstock. There are also promising technologies specific to each of the three top-emitting industries: cement, iron & steel, and chemicals & plastics. These include cement admixtures and alternative chemistries, several technological routes for zero-carbon steelmaking, and novel chemical catalysts and separation technologies. Crucial demand-side approaches include material-efficient design, reductions in material waste, substituting low-carbon for high-carbon materials, and circular economy interventions (such as improving product longevity, reusability, ease of refurbishment, and recyclability). Strategic, well-designed policy can accelerate innovation and provide incentives for technology deployment. High-value policies include carbon pricing with border adjustments or other price signals; robust government support for research, development, and deployment; and energy efficiency or emissions standards. These core policies should be supported by labeling and government procurement of low-carbon products, data collection and disclosure requirements, and recycling incentives. In implementing these policies, care must be taken to ensure a just transition for displaced workers and affected communities. Similarly, decarbonization must complement the human and economic development of low- and middle-income countries.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2021

Synthesis and characterisation of alites from reduced basic oxygen furnace slags

Basic oxygen furnace slags (BOFS) are by-products of the steelmaking process. Several researchers have studied the production of Portland cement clinker and metallic iron from BOFS via a reductive treatment. }In this study, we applied a carbothermal reduction of BOFS in a technical-scale electric arc furnace and characterised the clinker-like products. Those clinker-like non-metallic products (NMPs) had a chemical and mineralogical composition comparable to clinker for ordinary Portland cement (OPC) and contained large elongated alite crystals as major component. The pure NMPs reacted more slowly and achieved a lower degree of hydration compared with commercial OPC. }If the reactivity of the products can be further increased by employing specific adaptations, it can be used as a full clinker substitute for OPC. Nevertheless, it is also an option to use the material without further modifications as a cement component or concrete addition, which contributes to the strength development in both cases.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Multi-objective Decisions on Integrated Energy Systems Planning and Operation for Industrial Combined Heat and Power Supply

Unlike the power sector—which can transmit electricity over long distances via established grids—the industrial sector poses a unique challenge due to its geographically concentrated large-scale heat processes. Enhancing energy security in such industrial parks provides a dual benefit: reduced exposure to volatile fossil fuel prices and improved economic viability, largely driven by economies of scale in energy supply and distribution. This study presents a comprehensive technoeconomic analysis of a nuclear energy hub, employing a mechanism-focused approach to evaluate uncertainties in operational strategies and capacity optimization. Load profiles from three major energy intesive industries—chemical, refinery, and steelmaking—are examined, each presenting unique challenges and opportunities for nuclear energy integration. We adopt a multi-objective optimization framework, converting multiple objectives into a single objective function through the e-constraint method. The findings highlight clear trade-offs between system conditions and varying levels of energy independence. Overall, this analysis is granular enough to address industry-specific concerns yet sufficiently generalizable to provide actionable insights into the feasibility of nuclear-based clean heat solutions for the industrial sector.

25 - ENERGY STORAGE↗

DOE OSTI2025

In-Situ Atomic-Scale Revelation of Amorphous Metallic Iron Formation during Hydrogen-Driven Reduction of Iron Oxides

The transition to hydrogen as a green reductant in metal production is critical for decarbonizing the metallurgical industry, yet atomic-scale mechanisms governing reduction pathways and phase evolution remain unresolved. Using in-situ environmental transmission electron microscopy, we identify a hidden pathway that reveals dynamic formation of amorphous metallic iron (Fe) during the hydrogen-driven reduction of ferrous oxides of Fe 3 O 4 and FeO. Real-time imaging uncovers three coexisting transformation routes: (i) Fe 3 O 4 → FeO, (ii) Fe 3 O 4 → amorphous Fe, and (iii) FeO → amorphous Fe. The resulting amorphous Fe exhibits fluid-like mobility, enabling its rapid aggregation and crystallization into core-shell nanostructures, with a crystalline core enveloped by an amorphous shell. Complementary ab initio molecular dynamics simulations trace the amorphous Fe formation to interfacial strain at the metal/oxide interfaces, where large lattice mismatches destabilize the metal lattice during initial metallization. This interplay between thermodynamics and kinetics governs phase evolution: thermodynamics favors a self-limiting amorphous Fe overlayer, while rapid oxide reduction kinetics drives amorphous overgrowth. Our findings demonstrate that amorphous intermediates bypass rate-limiting crystalline steps, providing mechanistic insights to optimize H 2 -based processes for sustainable steelmaking. In conclusion, these insights bridge the gap between macroscopic process engineering and atomic-scale dynamics, with broader implications for catalysis and nanostructured material synthesis, where oxide reduction pathways critically shape functional phases and microstructures.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Chemical and electrochemical pathways to low-carbon iron and steel

Currently, the iron and steel industry is responsible for 7% of global CO 2 emissions. In this review, we summarize the operational principles of current emissions-intensive steelmaking technologies and review emerging low- and zero-carbon technologies that could substantially reduce emissions. Current technologies that are discussed include blast furnaces, electric arc furnaces, and smelting. Promising low-carbon routes include use of alternative reductants for ore processing (hydrogen direct reduction, hydrogen plasma-smelting, hydrogen smelting, and ammonia-based reduction), electrolytic iron production (with aqueous and molten oxide electrolytes) and biocarbon-based electric arc furnace operation. Advantages of each approach are presented, and remaining research hurdles are identified.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hydrogen-based ore-to-part manufacturing of near-net-shape stainless steel

Decarbonizing iron and steelmaking, combined with global disruptions to raw material supply chains, necessitates novel approaches to iron and steel production. In this work, we demonstrate a direct ore-to-part manufacturing route using a mixture of ore-derived oxide powders of Fe 2 O 3 , Cr 2 O 3 , NiO, and MoO 3 as feedstock for additive manufacturing, combined with sintering under H 2 to produce a near-net-shape austenitic stainless-steel. Complete reduction of all constituent oxides, including MoO 3 and Cr 2 O 3 , is achieved in-situ at 1300 °C, resulting in dense, crack-free bulk alloy. The fabricated part retains geometric fidelity while undergoing substantial volumetric shrinkage inherent to redox and sintering. Thermodynamic calculations elucidate the co-reduction mechanisms and alloying pathways that enable complete metallization. This work is the first demonstration of net-shaping metal parts directly from ore derived oxides, and this ore-to-part approach can minimize the emissions and lead time for manufacturing associated with downstream processing such as rolling, forging, and machining.

Yang, Mingzhang [Univ. of Waterloo, ON (Canada); F↗

DOE OSTI2026

Activating magnetite ores for aqueous ironmaking at high current densities

Low-temperature electrochemical cells reducing iron oxides to metal in alkaline electrolytes can support fully electrified steelmaking processes. Previous studies on these cells have primarily focused on high-surface-area hematite, Fe 2 O 3 , reactants whereas attempts to reduce suspensions of magnetite, Fe 3 O 4 —one of the two feedstocks for existing ironmaking reactors—have generally been limited to low rates of reaction (<30 mA cm −2 ). Here, in this study, we control the crystalline domain size of Fe 2 O 3 and Fe 3 O 4 particles in 10 M NaOH electrolytes to study how the nanoscale morphology of oxides controls the rate of electrochemical ironmaking. Rotating-ring disk electrode measurements of Fe 2+ , in situ Raman spectroscopy of the electrode surface, and ex situ electron microscopy were consistent with a hypothesized passivation process at Fe 3 O 4 surfaces that may prevent the continuous formation of soluble intermediates. Sufficiently small (<100 nm diameter) oxide particles yielded Fe partial current densities >160 mA cm −2 , a fivefold increase relative to previously reported rates for Fe 3 O 4 suspensions and comparable to active Fe 2 O 3 . Electron microscopy revealed that electrodeposited films were composed of micron-scale crystalline Fe domains with a porous film of Fe 3 O 4 nanoparticles and supports a model where Fe is grown primarily from soluble Fe 2+ intermediates. Based on these insights, inactive blast-furnace-grade iron-oxides were transformed into high surface area nanoparticles (1.6 to 229.2 m 2 g −1 ) via reprecipitation, leading to a ninefold enhancement in faradaic efficiency and an Fe partial current density of 120 mA cm −2 . When integrated with chlor-iron cells producing reagents for reprecipitation, this approach could lead to a cost-competitive process for electrochemical ironmaking from industrially relevant feedstocks.

TEM↗

DOE OSTI2025

Structure–property relations of binary ferrite melts

Molten ferrite systems are used in the smelting and refining processes in steelmaking, to reduce the loss of metals in slags and to accelerate reaction rates. Here, high-energy x-ray diffraction experiments have been performed on aerodynamically levitated molten spheres of 43BaO–57FeO X and 43SrO–57FeO X at 1873 K using laser beam heating. The composition was varied within the range of x = 1–1.5 by changing the oxygen partial pressure of the levitation gas. The corresponding x-ray pair distribution functions have been interpreted using empirical potential structure refinement (EPSR) modeling. In oxygen-rich melts (x = 1.5), our EPSR models indicate very similar structures for the different alkaline-earth liquids, with both the Ba–O and Sr–O coordination numbers to be ∼8.4 and the total Fe–O coordination numbers ∼5.7. However, our models show that in reducing environments, the Fe 3+ and Fe 2+ ions exhibit very different behaviors in the Ba- and Sr-ferrite liquids. In the Ba-ferrite melt, the Fe 3+ –O coordination number decreases from 5.7 (at x = 1.5) to 5.2 (at x = 1.07), whereas Fe 2+ –O remains constant at ∼5.0 across the same compositional range. In the Sr melts, both the Fe 2+ –O and Fe 3+ –O coordination numbers rise from ∼5.7 (at x = 1.5) to 6.3 (at x = 1.07). All models show the structures to be heterogeneous with intertwined nanometer sized clusters or channels of Ba/Sr–O and Fe–O polyhedra that grow as oxygen content is reduced. Changes in the viscosity and electrical properties are interpreted in terms of the number of bridging and non-bridging oxygens associated with FeO 4 tetrahedra and concentration of charge carriers, respectively.

Benmore, Chris J. [Argonne National Laboratory (AN↗

DOE OSTI2023

Correlating chemistry and mass transport in sustainable iron production

Steelmaking contributes 8% to the total CO 2 emissions globally, primarily due to coal-based iron ore reduction. Clean hydrogen-based ironmaking has variable performance because the dominant gas–solid reduction mechanism is set by the defects and pores inside the mm- to nm-sized oxide particles that change significantly as the reaction progresses. While these governing dynamics are essential to establish continuous flow of iron and its ores through reactors, the direct link between agglomeration and chemistry is still contested due to missing measurements. In this work, we directly measure the connection between chemistry and agglomeration in the smallest iron oxides relevant to magnetite ores. Using synthesized spherical 10-nm magnetite particles reacting in H 2 , we resolve the formation and consumption of wüstite (Fe 1-x O)—the step most commonly attributed to whiskering. Using X-ray diffraction, we resolve crystallographic anisotropy in the rate of the initial reaction. Complementary imaging demonstrated how the particles self-assemble, subsequently react, and grow into elongated “whisker” structures. Our insights into how morphologically uniform iron oxide particles react and agglomerate in H 2 reduction enable future size-dependent models to effectively describe the multiscale aspects of iron ore reduction.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Ultrafast Annealing Improves SNR and Long-Term Stability of a Highly Multiplexed Line-by-Line FBG Array Inscribed by Femtosecond Laser in a Coreless Fiber for Extreme-Temperature Applications

This study reports the fabrication of a fourth-order line-by-line fiber Bragg grating (FBG) array using femtosecond laser inscription within a highly multimode coreless optical fiber, with a particular focus on achieving substantial multiplexing capabilities. An ultrafast annealing procedure is employed, resulting in an impressive enhancement of the FBG sensor’s fringe visibility by approximately 13 dB, signifying a notable improvement of approximately ~4 dB. This substantial enhancement contributes to the long-term stability and performance of the multiplexed FBG array in extreme-temperature conditions. The systematic fabrication approach employed for the multiplexed FBG array guarantees a high signal-to-noise ratio (SNR) for each individual FBG within the array. This FBG array is intended for extreme-temperature applications, addressing limitations associated with traditional FBGs based on doped optical fibers, including SNR degradation and temperature-induced fringe drift. Testing at temperatures up to 1120 °C demonstrates the FBG array’s stability without fluctuations in readings. Furthermore, it endures seven heat cycles, spanning from 500 °C to 1120 °C, over 60 h, exhibiting outstanding thermal stability. Furthermore, this highly multiplexed FBG array with an ultrafast annealing approach holds promise for extreme-temperature environments, such as steelmaking, where precise and reliable distributed temperature monitoring is imperative.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Stable, Efficient Iron Electrodeposition via Anion-Directed Control of Fe(II) Coordination

Traditional steelmaking processes consume about 7% of the world’s energy supply, with reduction of iron oxides into iron via blast furnaces representing the most energy-demanding and capital-intensive step. To economize and modularize iron reduction processes, we aim to develop an electrodeposition technique to reduce aqueous iron ions to metallic iron. However, the hydrogen reduction reaction (HER) occurs at a more positive standard reduction potential than the iron reduction reaction. In addition, aqueous Fe(II) cations easily precipitate at mildly acidic conditions (pH ≥ 3), which limits the deposition efficiency and degrades deposit quality. To address these challenges, we first search for anions that have intermediate coordination strength with Fe(II) based on the hard-soft acid-base theory, trading a slightly more negative Fe(II) reduction potential for a considerably broader pH stability range. We select citrate with predicted intermediate coordination strength, in combination with more weakly coordinating anions (e.g., SO 4 2- , Cl - ) to control the coordination structure of Fe 2+ for improved electrolyte stability and electrodeposition behavior. We find that citrate coordination stabilizes Fe 2+ -based electrolytes at higher pH conditions (4.8–5.5), significantly extending their shelf life while also suppressing HER during Fe electrodeposition by orders of magnitude. To measure Faradaic efficiencies (FE), we developed a straightforward, titration-based methodology to quantify the amount of deposited iron regardless of the rate of concurrent HER. Although coordination between citrate and Fe 2+ decreases the reduction potential of Fe(II), high FE (≥98%) was achieved at 10 mA cm -2 . FE and achievable deposition rates are tunable by both concentration and the ratio of Fe 2+ to citrate. In all cases, Raman spectroscopy and X-ray diffraction (XRD) reveal that iron deposition in citrate-containing electrolytes suppresses iron oxide/hydroxide precipitation, in contrast to deposits generated in citrate-free electrolytes. Altogether, this work demonstrates that citrate-mediated anion coordination enables high-purity iron electrodeposition with increased FE, high current density, and improved electrolyte stability. This multi-anion coordination strategy provides a versatile framework for designing stable electrolyte and efficient metal electrodeposition.

coordination↗

DOE OSTI2022

Scrap Supply Chains and Residual Impacts: Benchmarking Price Implications Today and Into the Future

This presentation introduces the effort to benchmark the relationship between the portion of residuals in scrap (principally copper) and prices for select steel grades. It updates a Yalamanchili et al. 1999 paper that was one of the first to offer a quantitative metric for this relationship. It relies principally on a literature review and interviews with scrap suppliers and steelmakers; it will also contain original analysis on how residual quantities in the scrap supply chain and scrap prices could change into the future given certain trends.

Scrap steel, copper residuals, copper tolerance, s↗

DOE OSTI2024

Reviewing Flexibility in Industrial Electrification: U.S. Green Ammonia and Steel Industries [Slides]

The renewable energy transition in the power sector involves a paradigm shift for flexibility. Supply flexibility faces new constraints due to the increased share of variable renewable resources. Increased demand flexibility can allow less use of peaking power plants and delay need for additional capacity and transmission. Industrial customers are larger on average than residential and commercial consumers and have typically provided the largest share of demand response in the United States. We consider industrial demand, studying characteristics of flexible industrial loads. We examine the dynamics of change occurring around industrial load flexibility by focusing on two case studies: green ammonia and steel production via electric arc furnaces. Electric arc furnace steel production is an important component of current demand response programs, whereas green ammonia and green fuels offer new paradigms for flexibility. We analyze the structure and functions of the technological innovation systems of load flexibility in those two industries via interviews with twenty-two stakeholders. We conclude that the technological innovation systems are not well-functioning for flexibility in EAF based steelmaking, but are in the green ammonia space. Explicit connections between scope two greenhouse gas emissions reporting and flexibility are lacking, and industry stakeholders do not appear to make a connection between decarbonization and load flexibility.

25 ENERGY STORAGE↗