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DOE OSTI2024

Digitalization mapping and assessment process supporting ION strategic transformation activities

The existing fleet of commercial nuclear power plants (NPPs) are an important asset in the nation’s portfolio of electrical generating resources. Their continued safe and reliable operation are critical to providing a large source of carbon-free electricity to power the nation’s economy. The United States Department of Energy’s (DOE) Light Water Reactor Sustainability (LWRS) Program develops the scientific bases, methods, and tools, for the continued safe and economical operation of the nation's commercial NPPs. The Plant Modernization Pathway within LWRS Program focuses on providing guidance to industry on the full-scale implementation of modernization solutions for NPPs that significantly reduce the technical and financial risks associated with modernization. This research is focused on helping the nuclear industry understand how to digitize and digitalize their NPPs so that they can design their modernization solutions to be scalable, sustainable, and integrated both laterally and horizontally within their organization. That is, this research creates a digital transformation in NPPs by reshaping cultural mindsets and by identifying business efficiencies. In partnership with industry, and using four previously established guiding principles for digitalization, this research supported NPP modernization through assessing readiness for digitalization as a means to achieve integrated operations for nuclear. Specifically, this research created an assessment to review an entire organization’s work processes to gather information about the digitalization health of the plant. The assessment tools were administered to plant employees, and the results were used to develop a digitalization plan. The survey assessment identified the optimal candidate processes that would most benefit from a digitalization initiative which were revealed through analytical frameworks. One analysis calculated mean digitalization health indicator scores for all endorsed activities which allowed the researchers to rank and color code the results for easy identification. Individual health indicator scores are also provided, should our industry partner wish to understand these findings according to their own organizational priorities, business considerations and desired end-state. The results were also analyzed from the perspective that organizations are comprised of different types of innovators (e.g., generators, optimizers, conceptualizers, and implementers), which differentially affects the organization’s ability to comprehend and adapt to change (i.e., opportunities to innovate). Understanding the relative composition of innovator types at an NPP allows them to gather insights into the strengths and weaknesses they have in innovating how work is performed. For the utility that partnered with this research team, the results showed that implementers make up the largest portion of respondents and conceptualizers the smallest portion. Knowing the proportion of innovator types gave this organization insights on how they can effectively implement their innovation solutions. Additionally, the results were analyzed from a technical, economic, and risk perspective to identify and quantify work reduction opportunities (WROs). Recognizing that not all cost-saving opportunities are the same, a Technical, Economic and Risk Assessment (TERA) was performed to evaluate WROs to identify areas of greatest potential and lowest risk. The key results from TERA included a digitalization opportunity score for each activity, and a calculation of potential cost savings. These two outputs formed the bases for calculating a priority index and rank for the activities/processes assessed. From the prioritization calculations, TERA can then help the utility 1) decide what digitalization priorities to invest money in implementing and then 2) calculates how much should be invested in the digitalization initiatives selected to achieve cost savings and/or an acceptable return on investment. Last, onsite interviews revealed several inefficiencies in the standard work processes that occur cross-departmentally that are due to the absence of digitized and digitalized processes. Examples of these include time spent scanning paper documents and then uploading the documents electronically, obtaining signatures, and searching for desired information. This represents a digital but not digitalized process. Over 15 opportunities to improve work processes were identified through this multi-method digitalization assessment. The various analytical assessments used (e.g., TERA, digitalization health indicator scores), as well as discussions with the utility partner, corroborated that all the opportunities identified had a strong potential to make work processes more efficient and to improve overall performance of the NPP.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1990

Conceptual design optimization study

The feasibility of applying multilevel functional decomposition and optimization techniques to conceptual design of advanced fighter aircraft was investigated. Applying the functional decomposition techniques to the conceptual design phase appears to be feasible. The initial implementation of the modified design process will optimize wing design variables. A hybrid approach, combining functional decomposition techniques for generation of aerodynamic and mass properties linear sensitivity derivatives with existing techniques for sizing mission performance and optimization, is proposed.

Hollowell, S. J.↗

DOE OSTI2025

Creep performance and microstructure of grade 91 steel weldments with integrated welding and thermal processing

Ferritic-Martensitic steel welds typically require post weld heat treatment (PWHT) to restore toughness and high temperature performance. This off-line thermal process reduces disparities between weld and base metal, but can cause distortion, cracking, or simply be impractical due to assembly size and joint non-uniformity. Here we show integrated welding and thermal processing applied to modified 9Cr-1Mo (Grade 91) steel, favored for advanced power generation applications, performed in real time through the addition of a secondary heat source near the primary weld head. Optimal integrated processing reduces weld fusion and heat affected zone hardness by 125 HV, approaching performance of conventional 730 °C, 60 min PWHT processing. Microstructures and mechanical performance are compared for mechanized GTAW welds, with equivalent lifetimes noted in cross-weld creep rupture tests up to 234 MPa at 550 °C, and up to 104 MPa at 650 °C. The integrated process was validated on a Grade 91 pressure vessel with multipass cold wire feed GTAW. After 550 °C, 71.4 bar thermomechanical cyclic testing, the maximum weld hardness is <350 HV.

36 MATERIALS SCIENCE↗

NASA NTRS2016

Optimal Reorganization of NASA Earth Science Data for Enhanced Accessibility and Usability for the Hydrology Community

A long-standing "Digital Divide" in data representation exists between the preferred way of data access by the hydrology community and the common way of data archival by earth science data centers. Typically, in hydrology, earth surface features are expressed as discrete spatial objects (e.g., watersheds), and time-varying data are contained in associated time series. Data in earth science archives, although stored as discrete values (of satellite swath pixels or geographical grids), represent continuous spatial fields, one file per time step. This Divide has been an obstacle, specifically, between the Consortium of Universities for the Advancement of Hydrologic Science, Inc. and NASA earth science data systems. In essence, the way data are archived is conceptually orthogonal to the desired method of access. Our recent work has shown an optimal method of bridging the Divide, by enabling operational access to long-time series (e.g., 36 years of hourly data) of selected NASA datasets. These time series, which we have termed "data rods," are pre-generated or generated on-the-fly. This optimal solution was arrived at after extensive investigations of various approaches, including one based on "data curtains." The on-the-fly generation of data rods uses "data cubes," NASA Giovanni, and parallel processing. The optimal reorganization of NASA earth science data has significantly enhanced the access to and use of the data for the hydrology user community.

data rods↗

NASA NTRS1990

Microcracking mechanisms and interface toughening of semi-IPN polyimide matrix composites

A new research program was initiated as a preliminary phase. The following three objectives are being pursued for the overall program: to elucidate the mechanisms of microcracking for graphite fiber-reinforced semi-IPN polyimide matrix composites under mechanical and thermal cyclic loading; to devise material engineering solutions for possible improvement of fatigue damage resistance (or the increase of fatigue endurance strength) of semi-IPN matrix composites by tailoring of modulus and toughness of fiber-resin interface region; and to assess processing characteristics of the composites and their roles in controlling the resistance of composites to microcracking and the effectiveness of interface toughening. The main emphasis was placed upon the initial screening of material systems and optimization of processing conditions for semi-IPN matrix composites with tailored interface. As a first set of control material systems to study, the composites were prepared with unsized Celion 6000 graphite fiber reinforcement and the following resin matrices of varied fracture toughness: PMR-15 thermoset polyimide, semi-IPN of PNR-15 thermoset polyimide and NR150B2 thermoplastic polyimide in 75/25 ratio, and semi-IPN of PMR-15 and NR150B2 in 50/50 ratio. For the composites with the resin matrix of semi-IPN in 75/25 ratio, interface tailoring was attempted by using graphite fibers coated with the resins of systematically varied fracture toughness. In the continuing work, a broad range of interlayer toughness will be achieved by coating the fibers with reactants of semi-IPN having lower or higher content of thermoplastic constituent in comparison with the composition of surrounding resin matrix. In pursuing the objectives of the overall research program, the respective roles and interaction of critical parameters were defined.

Lee, Byung L.↗

NASA NTRS2001

The Lessons Learned Process: An Effective Countermeasure Against Avoidable Risk

The potential for errors in engineering judgement arguably present the highest level of risk when applied to interplanetary spaceflight. JPL has been refining its lessons learned process to optimize the collection and transfer of critical success factors applicable to current and future spaceflight projects.

lessons learned information system process improve↗

DOE OSTI2026

Deep Gaussian process-based cost-aware batch Bayesian optimization for complex materials design campaigns

The accelerating pace and expanding scope of materials discovery demand optimization frameworks that efficiently navigate vast design spaces with complex response surfaces while judiciously allocating limited evaluation resources. We present a cost-aware, batch Bayesian optimization scheme powered by deep Gaussian process (DGP) surrogates and a heterotopic querying strategy. Our DGP surrogate, formed by stacking GP layers, models complex hierarchical relationships among high-dimensional compositional features and captures correlations across multiple target properties, propagating uncertainty through successive layers. We integrate evaluation cost into an upper-confidence-bound acquisition extension, which, together with heterotopic querying, proposes small batches of candidates in parallel, balancing exploration of under-characterized regions with exploitation of high-mean, low-variance predictions across correlated properties. Applied to refractory high-entropy alloys for high-temperature applications, our framework converges to optimal formulations in fewer iterations with cost-aware queries than conventional GP-based BO, highlighting the value of deep, uncertainty-aware, cost-sensitive strategies in materials campaigns.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Phenomena-based graph representations and applications to chemical process simulation

Rapid and robust simulation of chemical processes is critical to conduct process design, optimization, techno-economic analysis, and sustainability analysis. Yet, efficiently solving simulation models remains a challenge due to the highly coupled and nonlinear nature of the underlying algebraic equations that capture the physical phenomena taking place in the process (e.g., material and energy conservation, phase equilibrium, reactions). In this work, we show that graph-theoretic representations of the physical phenomena within unit operations can help navigate and decompose equations to systematically identify alternative approaches for fast and robust numerical solutions. Specifically, we present a graph-theoretic abstraction that captures the connectivity between the model variables/equations and use this abstraction to group variables/equations into fundamental phenomena. We show that phenomena-based decomposition of the underlying equations can help decouple nonlinearities and enforce material/energy conservation at the process level to accelerate convergence. The proposed decomposition approach differs from the more traditional sequential modular simulation approach, in which equations are grouped and decomposed by unit operations. We implemented the phenomena-based decomposition in BioSTEAM—an open-source process simulation platform in Python—and demonstrated that this approach can converge a variety of separation process models. Compared to sequential modular simulation, the phenomena-based approach can converge idealized systems faster, but it can be slower for (or even fail to converge) highly coupled and nonideal process systems.

Convergence↗

NASA NTRS1981

The International Solar Polar Mission - A problem in constrained optimization

The International Solar Polar Mission is sponsored jointly by NASA and the European Space Agency to study the sun and the solar environment from a new vantage point. Trajectories far out of the ecliptic plane are achieved by a gravity assist from Jupiter which sends the spacecraft back over the poles of the sun. The process for optimizing these trajectories is described. From the point of view of trajectory design, performance is measured by the time spent at high heliographic latitudes, but many trajectory constraints must be met to ensure spacecraft integrity and good scientific return. The design problem is tractable by closely approximating integrated trajectories with specially calibrated conics. Then the optimum trajectory is found primarily by graphical methods, which were easy to develop and use and are highly adaptable to changes in the plan of the mission.

Sweetser, T. H., III↗

DOE OSTI2024

Laser Powder Bed Fusion of Steels for Nuclear Applications

This report provides an update on laser powder bed fusion of steels for nuclear applications. This report is a Milestone 3 deliverable in FY2024, under work package CT-24AN130401 to support research and qualification activities supported by the Advanced Materials and Manufacturing Technologies (AMMT) program here at Argonne National Laboratory (ANL). Continuing from FY23, the focus of FY24 for ANL includes further optimization of process parameters for three alloys: A709, G91, G92. The work package also includes fabricating test samples to conduct a thorough microstructural analysis and perform preliminary mechanical testing. For the same, we have used CALPHAD-based thermodynamic kinetic modeling to optimize the experimental activities.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Advancing In-Situ Plasma Processing for SRF Cavities at Fermilab

This talk presents Fermilab’s experience with plasma processing applied to both elliptical and low-beta superconducting RF cavities. The development and implementation of the technique are compared across different geometries, with particular emphasis on constraints imposed by cryomodule assembly configurations. The talk also reports on systematic studies aimed at optimizing the processing recipe, including the exploration of various inert gas mixtures and oxygen concentrations. These results aim at providing guidance for tailoring plasma processing conditions to different cavity types and advancing plasma processing applicability in operational cryomodules.

Giaccone, Bianca [Fermilab] (ORCID:000000027275846↗

DOE OSTI2026

Advancing In-Situ Plasma Processing for SRF Cavities at Fermilab

Giaccone, Bianca [Fermilab] (ORCID:000000027275846↗

NASA NTRS1976

A parylene coating process for hybrid circuits

The parylene coating process developed during this program consists of (1) obtaining a hybrid cover with a hole in it, (2) sealing of the circuit with a hole in the cover, (3) parylene coating through the hole with the external leads protected from parylene by appropriate fixturing, and (4) sealing of the hole by soldering a pretinned kovar tab. Development of the above process required optimization of the parylene coater parameters to obtain a uniform consistent coating which could offer adequate protection to the circuits, fixture design for packages of various types, determination of the size of the deposition hole, and the amount of dimer charge per run, a process to hermetically seal the deposition holes and establishment of quality control techniques or acceptance criteria for the deposited film.

Source record↗

DOE OSTI2026

Ionic liquid-enhanced recycling of lithium-ion battery black mass via heavy liquid centrifugal separation

Direct recycling of lithium-ion batteries (LIBs) is of great significance to supply chain security and environmental protection by restoring spent battery materials to their original purpose without destroying their chemical structure. One of the key processes for direct recycling is to separate valuable anode and cathode active materials from black mass. This study evaluates ionic liquid-enhanced Heavy Liquid Centrifugal Separation (HLCS) as an efficient method for separating LIB black mass into its constituent anode and cathode materials. The optimized HLCS process achieved a separation efficiency of over 95%, yielding a graphite-rich upper layer and an NMC-rich lower layer. Characterization by thermogravimetric analysis (TGA), X-ray diffraction (XRD), and inductively coupled plasma-optical emission spectroscopy (ICP-OES) confirmed the purity and structural integrity of the recovered fractions. The addition of N-methyl-2-pyrrolidone and ionic liquid 1-ethyl-3-methylimidazolium bromide decoupled entangled particles, while subsequent treatment of the anode layer with 1-(2,3-dihydroxypropyl)-3-methylimidazolium chloride further enhanced separation purity. The recycled graphite exhibited comparable battery performance to pristine graphite. These results demonstrate HLCS as a promising LIB recycling strategy, advancing sustainable battery manufacturing.

Adigun, Babafemi [Univ. of Tennessee, Knoxville, T↗

DOE OSTI2026

Strategies for Superconducting Transmon Qubits with Millisecond T1 Relaxation Time

Enhancing coherence in superconducting transmon qubits requires suppressing dielectric loss and quasiparticle-mediated dissipation at metal–substrate, metal–vacuum, and substrate–vacuum interfaces. We recently demonstrated a five-fold enhancement of the energy relaxation time (T₁) by encapsulating Nb thin films with a low-loss passivation layer that inhibits NbOₓ formation, thereby reducing two-level system (TLS) participation at the metal surface. To extend T₁ into the millisecond regime, we are implementing a comprehensive materials- and process-level optimization strategy. This includes engineered substrate surface treatments, evaluation of alternative low-loss superconducting and dielectric material stacks, development of ultra-low-loss capping layers, and redesigns of transmon geometries to suppress electric-field participation ratio in lossy regions. Additionally, we are pioneering novel etching processes to further lower surface participation ratios. We are also exploring novel Josephson-junction materials and device layouts to enhance coherence further. We report T₁ measurements from these efforts, with the leading devices achieving relaxation times>1 ms.

Crisa, Francesco↗

DOE OSTI2026

Strategies for Superconducting Transmon Qubits with Millisecond T1 Relaxation Time

Crisa, Francesco↗

NASA NTRS2015

An Automated DAKOTA and VULCAN-CFD Framework with Application to Supersonic Facility Nozzle Flowpath Optimization

Removing human interaction from design processes by using automation may lead to gains in both productivity and design precision. This memorandum describes efforts to incorporate high fidelity numerical analysis tools into an automated framework and applying that framework to applications of practical interest. The purpose of this effort was to integrate VULCAN-CFD into an automated, DAKOTA-enabled framework with a proof-of-concept application being the optimization of supersonic test facility nozzles. It was shown that the optimization framework could be deployed on a high performance computing cluster with the flow of information handled effectively to guide the optimization process. Furthermore, the application of the framework to supersonic test facility nozzle flowpath design and optimization was demonstrated using multiple optimization algorithms.

Axdahl, Erik L.↗

NASA NTRS2008

Transmissive Diffractive Optical Element Solar Concentrators

Solar-thermal-radiation concentrators in the form of transmissive diffractive optical elements (DOEs) have been proposed as alternatives to mirror-type solar concentrators now in use. In comparison with functionally equivalent mirror-type solar concentrators, the transmissive, diffractive solar concentrators would weigh and cost less, and would be subject to relaxed mechanical tolerances. A DOE concentrator would be made from a thin, flat disk or membrane of a transmissive material having a suitable index of refraction. By virtue of its thinness, the DOE concentrator would have an areal mass density significantly less than that of a functionally equivalent conventional mirror. The DOE concentrator would have a relatively wide aperture--characterized by a focal-length/aperture-diameter ratio ('f number') on the order of 1. A kinoform (a surface-relief phase hologram) of high diffractive order would be microfabricated onto one face of the disk. The kinoform (see figure) would be designed to both diffract and refract incident solar radiation onto a desired focal region, without concern for forming an image of the Sun. The high diffractive order of this kinoform (in contradistinction to the low diffractive orders of some other kinoforms) would be necessary to obtain the desired f number of 1, which, in turn, would be necessary for obtaining a desired concentration ratio of 2,500 or greater. The design process of optimizing the concentration ratio of a proposed DOE solar concentrator includes computing convolutions of the optical bandwidth of the Sun with the optical transmission of the diffractive medium. Because, as in the cases of other non-imaging, light-concentrating optics, image quality is not a design requirement, the process also includes trading image quality against concentration ratio. A baseline design for one example calls for an aperture diameter of 1 m. This baseline design would be scalable to a diameter as large as 10 m, or to a smaller diameter for a laboratory test article. Initial calculations have indicated that the characteristics of the test article would be readily scalable to a full-size unit.

Baron, Richard↗