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All sources NASA NTRS DOE OSTI

DOE OSTI2022

Design space exploration and decision‐making for a segmented ultralight morphing 50‐MW wind turbine

Abstract Wind turbine design encompasses many different aspects including aerodynamic, structural, electrical, and control system design. To achieve optimal plant performance, a system design approach is utilized in which the performance of the whole wind turbine is evaluated and quantified during operational scenarios with subsystem interactions. In this paper, the design for a Segmented Ultralight Morphing Rotor (SUMR) 50‐MW wind turbine is presented utilizing levelized cost of energy (LCOE) for design choices, with additional quantification of simulated performance shortcomings at the 50‐MW scale. The multi‐disciplinary design process results in a final ultra‐scale turbine configuration that outperforms other existing offshore wind farms regarding the LCOE.

Kianbakht, Sepideh↗

DOE OSTI2026

Deposition Height Prediction in Directed Energy Deposition

Using 316L stainless steel as a model material, reduced-order models are developed to predict capture efficiency, deposition height, and site-specific hardness in directed energy deposition. Capture efficiency is predicted over a 15 to 55 pct range using a dimensionless number derived from processing conditions and thermophysical properties. Deposition height is predicted over a 0.3 to 1.3 mm range without in situ sensing or prior training data, using two models based on the same mass and energy-balance principles. Predictions are compared with machine learning approaches. A quantitative relationship links deposition height, primary dendrite arm spacing (PDAS), and hardness: heights of 0.3 to 1.1 mm correspond to PDAS values of 2.7 to 5.1 µm and Vickers hardness (HV) of 160 to 219. Thinner layers cool more rapidly, producing finer microstructures and higher hardness. Samples fabricated with in situ variations in deposition height exhibited up to 55 HV differences between thick and thin regions, demonstrating that local control of deposition height enables predictive, site-specific hardness within a single build. These results establish deposition height prediction as a pathway for a priori process design and property control in directed energy deposition for 316L stainless steel.

Kunkel, William [Univ. of Wisconsin, Madison, WI (↗

DOE OSTI2021

Process model for multilayer slide coating of polymer electrolyte membrane fuel cells

Slide coating is a precision method suitable for depositing multiple liquid-film layers simultaneously. Originally developed in the photographic film industry, it has been deployed for manufacturing of other products that benefit from multilayer coatings. One emerging application is the manufacture of polymer electrolyte membrane fuel cells (PEMFCs), which are used to produce electricity through electrochemical reactions of hydrogen and oxygen gas. The membrane-electrode assembly (MEA), in which key electrochemical reactions occur, consists of three layers that are typically deposited separately in serial fashion and then laminated together to form the three-layer MEA, i.e., three sequential steps of coat and dry. Adapting the process to simultaneous, multilayer slide coating of all three layers will save equipment cost and space while minimizing possible exposure to contaminants during transition between the steps. We are developing a three-layer slide coating model to aid the manufacturing process design of PEMFC. The model accounts for rheology of each layer, which typically exhibit shear thinning behavior. Model predictions are used to investigate simultaneous coatability of catalyst inks and to determine the best layer-by-layer ink selection.

25 ENERGY STORAGE↗

DOE OSTI2021

Additive Manufacturing in the Nuclear Reactor Industry

This article discusses the application of additive manufacturing in the nuclear reactor industry.Additive manufacturing for nuclear applications increased significantly in the late 2010s due to rapid progress in technology, particularly with methods using metals and ceramics.Because these manufacturing technologies are uniquely data-rich, they allow for an advanced understanding of materials, and they offer the potential to predict part performance based on build data. The inherent characteristics of additive manufacturing technologies allow for rapid prototyping and geometric freedom, making it possible to implement an accelerated agile design process for advanced nuclear reactor applications. Predictive high-fidelity multiphysics simulations are crucial to fully leverage this geometric flexibility. Qualification and regulator acceptance ultimately determine the breadth and scope of applications for these technologies. The US Department of Energy Office of Nuclear Energy Transformational Challenge Reactor program integrates many of these elements to accelerate the deployment of additive manufacturing technologies to industry.

Betzler, Benjamin↗

DOE OSTI2026

A transport-based framework for solidification cracking in Ni-based superalloys processed by laser powder bed fusion

Solidification cracking remains a persistent barrier to laser powder bed fusion (LPBF) processing of solid-solution-strengthened (SSS) Ni-based superalloys and is commonly attributed to carbide formation, liquation-type failure, or elemental segregation. In this work, the cracking behavior of three SSS Ni-based superalloys—Inconel 625 (625), Inconel 617 (617), and Haynes 230 (230)—is examined under comparable LPBF conditions to evaluate the origins of their cracking susceptibility. Carbides were present in both 625 and 230, yet cracking behavior differed significantly. MC-type carbides in 625 remain discrete and preserve liquid connectivity, whereas Cr-rich M23C6 carbides in 230 form at cellular triple junctions that bottleneck the interdendritic liquid network, influencing cracking through liquid connectivity rather than as an independent cause. Alloy 617 exhibited anomalous segregation without resolvable secondary phases yet cracked mildly, indicating that extensive carbide formation is not a prerequisite for cracking. To rationalize these observations, a transport-limited framework is proposed in which cracking occurs when terminal-liquid feeding cannot accommodate solidification-induced strain; among the mechanisms evaluated, this framework is most consistent with the physical constraints imposed by LPBF solidification. Transport-based crack-susceptibility indexes incorporating permeability, viscosity, and solidification kinetics distinguish the alloy hierarchy; permeability ratios Krat increased from approximately 7 (625) to 11.5 (617) and 14.5 (230), with corresponding increases in the μ-weighted mushy zone risk index (CSIMZRM). These results are consistent with transport-limited liquid feeding as a rate-limiting contributor to solidification cracking in LPBF-processed SSS Ni-based superalloys, providing a physically grounded basis for alloy and process design.

Hyer, Holden [ORNL] (ORCID:0000000343915561)↗

DOE OSTI2020

Size-dependent stochastic tensile properties in additively manufactured 316L stainless steel

Recent work in metal additive manufacturing (AM) suggests that mechanical properties may vary with feature size; however, these studies do not provide a statistically robust description of this phenomenon, nor do they provide a clear causal mechanism. Because of the huge design freedom afforded by 3D printing, AM parts typically contain a range of feature sizes, with particular interest in smaller features, so the size effect must be well understood in order to make informed design decisions. This work investigates the effect of feature size on the stochastic mechanical performance of laser powder bed fusion tensile specimens. A high-throughput tensile testing method was used to characterize the effect of specimen size on strength, elastic modulus and elongation in a statistically meaningful way. The effective yield strength, ultimate tensile strength and modulus decreased strongly with decreasing specimen size: all three properties were reduced by nearly a factor of two as feature dimensions were scaled down from 6.25 mm to 0.4 mm. Hardness and microstructural observations indicate that this size dependence was not due to an intrinsic change in material properties, but instead the effects of surface roughness on the geometry of the specimens. Finite element analysis using explicit representations of surface topography shows the critical role surface features play in creating stress concentrations that trigger deformation and subsequent fracture. The experimental and finite element results provide the tools needed to make corrections in the design process to more accurately predict the performance of AM components.

316L stainless steel↗

DOE OSTI2022

The effects of SO 2 exposure on three-way catalysts for passive SCR operation

We report efficient lean-burn gasoline engines cannot employ traditional three-way catalysts (TWCs) to control NO X emissions due to excess oxygen. Passive selective catalytic reduction (pSCR) is a process designed to control NOx by generating NH 3 over the TWC during fuel-rich operation, storing it on a downstream SCR, and then converting NOx during fuel-lean operation. This work is focused on studying sulfur effects on this promising strategy. Two hydrothermally-aged commercial catalysts were studied for their effectiveness in the presence of SO 2 : a Pd-based TWC and a TWC with NO X storage. The sulfated samples were evaluated in a flow reactor under pSCR conditions and with targeted reactions. SO 2 inhibited the water gas shift and steam reforming reactions, decreasing (but not eliminating) NH 3 production; however, initial activity is recoverable after a simple thermal treatment at 650 °C. This work will prove valuable in understanding, mitigating, and even reversing the effects of SO 2 inhibition on real pSCR systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A comparative techno-economic analysis of renewable methanol synthesis from biomass and CO 2 : Opportunities and barriers to commercialization

Global demand for methanol as both a chemical precursor and a fuel additive is rising. At the same time, numerous renewable methanol production pathways are under development, which, if commercialized, could provide significant environmental benefits over traditional methanol synthesis pathways. However, it is difficult to compare technologies at different maturity levels, with differing feedstocks, and with significant differences in overall process design. Thus, there is a need to harmonize the analyses of renewable pathways using a consistent techno-economic approach to evaluate the potential for commercialization of various pathways. This analysis uses a novel cross-comparison method to assess near-term and long-term viability of both low- and high-maturity level technologies. Furthermore, the techno-economic assessment considers cost factors critical to market acceptance combined with carbon- and energy-efficiency assessments of three renewable pathways compared with a commercial baseline. We find that biomass gasification to methanol represents a near-term viable pathway with a high technology readiness level and commercially competitive market price. If cost-reducing technological improvements can be realized and scaled up in the CO 2 electrolysis pathways, the potential for higher carbon efficiencies may help drive market adoption of these more modular, direct conversion pathways in future markets as they present an opportunity to better support global decarbonization efforts through efficient waste carbon utilization.

09 BIOMASS FUELS↗

DOE OSTI2025

Permeate fluxes from desalination of brines and produced waters: A reactive transport modeling study

The increasing interest in the use of membrane systems to desalinate inland brackish water, agricultural drainage, and industrially produced wastewater demands improved means of predicting desalination system performance under variable feedwater compositions. The interaction among water flow, solute transport, and chemical composition in these systems impacts permeate flux evolution. Here, an established multicomponent reactive transport simulator that accounts for these coupled processes is applied to compute osmotic pressure and permeate fluxes in reverse osmosis (RO) systems. The model is first validated by predicting permeate fluxes for a set of benchtop crossflow experiments subject to a range of feed flow rates and compositions, under fouling and non-fouling conditions. Results compare favorably with measured data that show that solutions with similar total dissolved solids concentrations but different compositions result in different permeate fluxes. The model is then applied to predict permeate fluxes from the desalination of produced waters using a commercial spiral wound RO module. For NaCl-dominant brines, at total dissolved salt concentrations (TDS) below about 70 g/L, permeate fluxes are inversely proportional to water mole fraction as the latter is a reasonable approximation of water activity (i.e. ideal mixing). In the case of Ca–Cl-, Na–CO3- and Na–SO4-dominant brines below about 70 g/L TDS, this relationship does not hold as well and tends to overpredict osmotic pressure and thus underpredict permeate fluxes. However, the opposite becomes true at higher TDS values for typical produced waters. The scaling potential of these waters is also computed by allowing the precipitation of minerals above their saturation limit on the RO membrane. This work demonstrates how reactive transport models developed for the analysis of waters from geological systems can be extended to improve process design, optimization, and control in desalination systems from produced waters and beyond.

Molins, Sergi↗

DOE OSTI2024

A new perspective on density and strength loss profiles at the surface of thermally oxidized nuclear graphite

Oxidation of graphite components could influence their designed life in a high-temperature nuclear reactor. The oxidized regions could potentially lower the allowed stress capacity. The American Society of Mechanical Engineers rules for the design and construction of graphite-moderated reactors recommend that subsurface regions that might become excessively damaged by oxidation during reactor operation be identified and excluded from geometry and stress calculations. Identification of oxidation-affected regions is possible, in principle, through complex modeling exercises of reactor behavior during hypothetical accident scenarios coupled with graphite oxidation models, but this procedure may not have the precision needed for informed decisions. Here, this paper proposes an alternate method, based on interpretation of a series of well-designed oxidation experiments, which could augment the designer's tools. The procedure is illustrated by data on oxidation by air of several graphite grades (NBG-18, PCEA, IG-110, R4-650) that are corroborated with independent literature information, when available. The Wichner model for graphite oxidation used for this analysis provides conservative results that could be quickly implemented in the design process.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Adsorption-based direct air capture using hierarchical porous composites prepared via confined-space crystallization

Capturing CO₂ at trace concentration remains a critical challenge in sustainable carbon management via adsorption, as conventional adsorbents suffer from low CO₂ selectivity, poor moisture tolerance, and energy-intensive regeneration requirements. Here, we report a hierarchical Ba²⁺-exchanged silicoaluminophosphate (Ba²⁺-CSAPO-34) composite synthesized via confined-space crystallization within an activated carbon matrix. Comprehensive characterization revealed a confined nucleation mechanism and the successful incorporation of Ba²⁺ active sites within the SAPO-34 framework, achieved via a two-step liquid ion-exchange protocol. The core-shell architecture combines the selective CO₂ binding of Ba²⁺-functionalized SAPO-34 with the hydrophobic protection of the carbon shell. Fixed-bed adsorption tests demonstrated strong CO₂ binding (at 500-2500 ppm), no roll-up, and effective suppression of water affinity, while maintaining high selectivity even at 90% relative humidity. A phenomenological adsorption model, validated against dynamic breakthrough data, accurately predicted dynamic adsorption behavior under real-world operating conditions, enabling rational process design for direct air capture (DAC) and closed-loop life support systems. Furthermore, these results establish Ba²⁺-CSAPO-34 as a scalable, moisture-resistant adsorbent that addresses key limitations in trace CO₂ capture, advancing practical implementation of carbon removal technologies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Recent and future developments in pultrusion technology with consideration for curved geometries: A review

Herein this paper examined the current state and future developments in pultrusion with particular emphasis on its application in curved part manufacturing. The relationship between factors such as resin chemistry, fiber characteristics, and die geometry that influences the properties of pultruded product were highlighted. Moreover, the specific challenges associated with pultruding curved parts such as the complexities in achieving uniformity and structural integrity in such geometries were discussed. The review emphasized mold design, process improvement, adaptive control systems for precise resin impregnation and material selection to address these challenges. Additionally, the paper suggests the integration of real-time monitoring and data analytics as ways to enhance quality control during curved parts pultrusion. These advancements will help to overcome challenges specific to curved pultrusion and make the process more efficient. Other manufacturing techniques such as filament winding, thermoforming, pulforming were mentioned as alternatives to curved parts pultrusion. The review also explores pultruded variable curvature processes, highlighting some notable patents and article related to this subject matter. Production of pultruded variable curvature parts was seen as a key driver that can shape the future of pultrusion. Finally, the paper anticipates future trends, with sustainability, customization, integration of advanced materials, and development of techniques for pultrusion of composites parts.

42 ENGINEERING↗

DOE OSTI2020

Development of high-early-strength fiber-reinforced self-compacting concrete

High-early-strength fiber-reinforced self-compacting concrete (FRSCC) is a practical material for the precast concrete industry to double its production capacity. In this study, we developed high-early-strength FRSCC mixtures that achieved a compressive and flexural strength of at least 24 MPa and 3.5 MPa, respectively, at 6 h, using commercially available components, typical mixing procedures, and air curing. A mix design process was developed based on the literature and experimental results. The effect of six different fiber reinforcements on the fresh and mechanical properties of concrete was analyzed. The cost limit was set at 523 USD/m 3 to make the concrete mix cost-effective.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Process intensification education contributes to sustainable development goals. Part 1

In 2015 all the United Nations (UN) member states adopted 17 sustainable development goals (UN-SDG) as part of the 2030 Agenda, which is a 15-year plan to meet ambitious targets to eradicate poverty, protect the environment, and improve the quality of life around the world. Although the global community has progressed, the pace of implementation must accelerate to reach the UN-SDG time-line. For this to happen, professionals, institutions, companies, governments and the general public must become cognizant of the challenges that our world faces and the potential technological solutions at hand, including those provided by chemical engineering. Process intensification (PI) is a recent engineering approach with demonstrated potential to significantly improve process efficiency and safety while reducing cost. It offers opportunities for attaining the UN-SDG goals in a cost-effective and timely manner. However, the pedagogical tools to educate undergraduate, graduate students, and professionals active in the field of PI lack clarity and focus. This paper sets out the state-of-the-art, main discussion points and guidelines for enhanced PI teaching, deliberated by experts in PI with either an academic or industrial background, as well as representatives from government and specialists in pedagogy gathered at the Lorentz Center (Leiden, The Netherlands) in June 2019 with the aim of uniting the efforts on education in PI and produce guidelines. In this Part 1, we discuss the societal and industrial needs for an educational strategy in the framework of PI. The terminology and background information on PI, as it relates to educational implementation in industry and academia, are provided as a preamble to Part 2, which presents practical examples that will help educating on Process Intensification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Thermodynamic Modeling of Aqueous LiCl, LiBr, LiI, and LiNO 3 Solutions

Thermodynamic models are essential to facilitate the advancement of process design, optimization, and operation of electrolyte systems. In this work, a comprehensive thermodynamic framework based on the Electrolyte Nonrandom Two-Liquid model is developed to calculate phase equilibria behavior and salt solubility of aqueous LiCl, LiBr, LiI, and LiNO 3 solutions. The model describes the non-ideality of the electrolyte solutions by using two binary interaction parameters for each electrolyte-molecule pair in the system. Each binary interaction parameter is further expressed with up to three temperature coefficients which are regressed from experimental data. To take into account the hydration of lithium ion, two separate chemistries for the dissociation of lithium salts are investigated. In the first case, the lithium ion is considered as a bare ion, Li + , while in the second case hydration of the lithium ion from Li + to Li(H 2 O) + is considered. Here, the calculated thermodynamic properties compare adequately with the experimental data for both sets of chemistries for concentrations up to saturation and temperatures from 273.15 K up to 623.15 K. Moderate to significant improvements are observed with the incorporation of the hydration chemistry for aqueous LiCl, LiBr, and LiI solutions when compared to the non-hydrated lithium ion model results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Models implemented in the methodological approach to design the initial STEP first wall contour

The official Spherical Tokamak for Energy Production mission aims to demonstrate the ability to generate net electricity from fusion with the STEP Prototype Power plant. One of the key technological and engineering challenges in fusion power plants is managing the loads on the first wall within acceptable limits. Therefore, the conceptual design development of the STEP Prototype Power plant needs to be based on load estimates derived using legitimate plasma physics assumptions through dynamic and flexible tools. The current design foresees the STEP main chamber first wall to withstand steady-state heat loads of up to ~1 MW/m 2 , excluding critical regions expected to receive higher heat loads such as the baffle regions approaching the divertors. These critical areas will require ad hoc assessments and will be designed with the presence of limiters. This article focuses on the models and methodology adopted for designing the 2-D poloidal contour of the STEP first wall, based on the anticipated charged particle and radiation heat loads during normal operation. Firstly, the models adopted for calculating the charged particle and radiation heat loads are introduced. The first model is validated through benchmarking against the particle tracing code SMARDDA, while the second model is verified by comparing it with data from the MAST-U experiment. Secondly, the model used to design the 2-D first wall contour according to the heat loads is explained. We acknowledge that this preliminary design stage assumes certain simplifications, notably an axisymmetric geometry, for computational efficiency and clarity in presentation. It is understood that subsequent design phases will address the complexities of real-world engineering, including non-axisymmetric effects, transient plasma scenarios, and the impact of disruptions on the first wall design. Finally, an automatic procedure based on these models is presented for defining the 2-D poloidal contour of the STEP first wall to minimize heat loads, taking into account the need to radiate most of the alpha-particle and auxiliary heating power. Here, by providing an overview of the models, methodology, and an automatic procedure, this paper contributes to the design process of the STEP first wall, addressing the engineering challenges associated with fusion power plant development.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Wire-coil insert optimization for high-heat-load/flux synchrotron components

Many synchrotron components require high levels of internal-flow, forced-convection heat transfer to minimize surface temperatures, thermal gradients, and thermally induced stress on high-power beam-interacting surfaces. Wire-coil inserts, physically similar to a common spring, are mechanically fitted inside of component cooling passages to optimize heat transfer performance. They are routinely used in Advanced Photon Source (APS) front end and beamline high-heat-load/flux components to significantly enhance convection heat transfer-up to 400% compared to plain open passages. This has the additional benefit of greatly reducing coolant flow requirements for these components. Using several cooling passage sizes, five different wire sizes, and a range of pitch values, an experimental investigation conducted at the APS has determined the average heat transfer coefficient and resulting pressure loss as a function of water flow rate for 65 different wire-coil inserts. Data from this study have been non-dimensionalized and generalized to yield relationships that can be used to determine the heat transfer performance and resulting pressure loss for any given wire-coil insert that may be used at the APS. Through data reduction, the wire-coil insert characteristic dimensions have also been optimized to yield the highest heat transfer enhancement while minimizing the coolant flow requirements. These generalized expressions for wirecoil inserts will be presented, and they can be used by scientists and engineers during the component design process to evaluate achievable heat transfer performance and associated pressure loss, aiding in the establishment of optimized operating parameters and cooling passage flow distribution schemes.

43 PARTICLE ACCELERATORS↗

DOE OSTI2026

The evolution of coal porosity during pyrolysis

Gasification of coal, municipal waste, or other organic materials is a potential hydrogen source that entails complex thermal decomposition and transport processes. This study provides a multiscale analysis of these processes for sub-bituminous (Usibelli, Healy, Alaska) and lignite (Center, North Dakota) coals and provides data useful for process design. The chemistry, mineralogy, and pore structures of pyrolyzed coal and their evolution with thermal decomposition are discussed. Samples pyrolyzed at 200–1000 °C were analyzed by small-angle neutron scattering; ultra-small, small-, and wide-angle X-ray scattering; and other complementary techniques. Scanning electron microscopy showed new pores in the high-temperature-pyrolyzed material. Upon heating, the coals became progressively denser, and the concentration of hydrogen decreased. Changes in pore volume fell into three temperature ranges: an initial, low-temperature range that, for the Usibelli coal, involved an increase in overall porosity; a mid-temperature range associated with pore volume loss; and a high-temperature range associated with significant porosity increase and char formation. This transformation was paralleled by changes in fractal dimension and correlation length. The higher the pyrolysis temperature the greater the small-pore-volume fraction and overall surface area became. Pyrolysis increased the lateral size of coal crystallites, decreased the amorphous fraction, and increased the aromatics fraction and overall coal rank. Comparisons of neutron and X-ray scattering data and subsequent water uptake studies showed that pre-dried coals can re-hydrate relatively rapidly upon exposure to air, which can significantly affect the porosity calculated from small-angle-scattering data. Fits to the cumulative porosity curves provide a method for modeling the physical and chemical transformation of hydrogen-containing feedstock during gasification.

Anovitz, Lawrence {Larry} [ORNL] (ORCID:0000000226↗