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At least 1,351 records · Page 75

Critical statistical assessment of data in metal additive manufacturing

Obtaining high quality data reflecting the relationships between the additive manufacturing (AM) process parameters, material microstructure and mechanical properties is crucial for the use of machine learning in AM. A database of over 4,000 data entries of metal AM was created thanks to a large number of literature studies on key process parameters and indicators of build quality. Meta-analysis reveals critical biases in the literature. Firstly, majority of studies report only high quality builds, these imbalances in reporting result in weak correlation between process parameters, properties and consolidation, limiting the ability of machine learning models to generalize beyond optimized conditions. Nevertheless, the trained models accurately predict yield strength ($R^2 = 0.85$), suggesting that certain process–property relationships are effectively captured within these models. Secondly, quantitative microstructural data are largely absent, limiting the learning of the microstructure-mechanical properties relationships. Finally, current process window identification is based largely on the consolidation, despite significant uncertainty in its measurement. It is important to identify the process map on the basis of not only the consolidation, but also mechanical behaviour under loading. Such a identification shows that 316 L and Inconel have much larger process map (i.e. highly printable) in comparison to the AlSi10Mg and Ti6Al4V.

Additive manufacturing↗

Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions

Solution nanostructure induced by amphiphile self-association plays an important role in various chemical and physical processes, including liquid-liquid extraction (LLE). Small angle scattering techniques are an essential means of probing this structure, but, due to non-uniqueness of scattering patterns, their interpretation is not trivial. Here, in this study, we decompose small angle x-ray scattering (SAXS) patterns for a range of binary LLE organic phases into two components: Ornstein-Zernike and pre-peak contributions resulting from, respectively, critical concentration fluctuations and packing of the amphiphilic extractant molecules in the nonpolar aliphatic diluent. While we previously applied Ornstein-Zernike scattering models to similar organic phases, including the pre-peak explicitly in the fit allows us to measure weak fluctuations at high extractant concentration and simultaneously obtain information on the position and intensity of the correlation peak related to amphiphile packing. Scattering patterns and partial structure factors calculated from molecular dynamics simulations support this interpretation. We demonstrate how this minimal scattering model describes nanostructuring for a large number of extractant types over their entire extractant/diluent composition ranges, suggesting simple and universal behavior. The straightforward assignment of these structural contributions facilitates the comparison of these features between different classes of extractant molecules and will enable further studies of organic phase aggregation. Applicability to more complex, process-relevant organic phases is illustrated with post-contact organic phases containing significant quantities of extracted lanthanide nitrate salt, which we find are readily described by this model.

74 ATOMIC AND MOLECULAR PHYSICS↗

237 Np Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly

Precise integral measurement of fast neutron-induced fission product yields for various actinides is of high interest for applied nuclear science. The goal of this effort is to improve uncertainties in fission product yield values of 237 Np. Fission was induced in a NpO 2 (NO 3 ) target using the Godiva IV critical assembly in burst mode. The irradiated sample was transferred to a high-resolution γ-ray detection setup within 50 minutes. γ-ray list mode data was collected from 50 minutes to 1 week after the irradiation. γ-ray spectroscopy was performed to analyze the time dependent γ-ray yields using an automated peak search algorithm to identify isotopes by their decay γ-ray energy and half-life. Finally, the initial activity for each isotope identified was used to calculate their fission product yield.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

239 Pu Fission Spectrum Cumulative Fission Product Yield Measurement Using Godiva IV Critical Assembly

Precise integral measurement of fast neutron-induced fission product yields for various actinides is of high interest for applied nuclear science. The goal of this effort is to improve uncertainties in fission product yield values of 239 Pu. Fission was induced in a pure 239 Pu (>99%) target using the Godiva IV critical assembly in burst mode. Further, the irradiated sample was transferred to a high-resolution γ-ray detector within 45 minutes. γ-ray list mode data was collected from 45 minutes to 1 week after the irradiation. γ-ray spectroscopy was performed to analyze the time dependent γ-ray yields using an automated peak search algorithm to identify isotopes by their decay γ-ray energy and half-life. The initial activity for each isotope identified was used to calculate their fission product yield.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Verification of the sensitivity and uncertainty-based criticality safety validation techniques: ORNL’s SCALE case study

The use of sensitivity and uncertainty-based techniques has been well-developed in the neutronic community for criticality safety applications. Sensitivity techniques calculate the first-order relative variations in keff due to relative cross-section variations by isotope, reaction type, and incident neutron energy. The result is a vector of sensitivity coefficients which is folded with prior cross-section uncertainties to calculate the so-called similarity indices. Similarity indices are integral quantities which serve as useful mathematical measures for assessing the relevance of existing or new experiments to given application conditions, representing design systems for which the models are to be validated. Despite their importance for a wide range of validation activities, the peer-reviewed literature is non-existent on the development of rigorous verification analysis for their calculated values. Thus, this manuscript proposes a simple non-intrusive method to calculate similarity indices, serving as an independent verification tool for their evaluation. The manuscript derives the theoretical basis for the proposed verification analysis. Next, the verification analysis is applied to the ORNL’s SCALE code suite which employs adjoint-based methods to calculate similarity indices. Numerical experiments using a number of well-known benchmark experiments are employed to verify the calculation of the similarity indices.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Ion irradiation effects on Cr-coated zircaloy-4 surface wettability and pool boiling critical heat flux.

The concept of coating the currently used nuclear fuel cladding (zirconium-based alloy, typically Zircaloy-4 or Zirc-4) with an oxidation preventive layer is a progressing Accident tolerant Fuel (ATF) candidate alloys. The coated Zirc-4-based alloys could be a solution to suppress undesirable fast reaction kinetics with high-temperature steam. Zirc-4 has been the most preferred cladding material in pressurized water reactors (PWRs). Chromium (Cr) based alloys as a coating material provides excellent corrosion protection and good strength and wear resistance. In this paper, we present the surface wettability measurements and pool boiling Critical Heat Flux (CHF) for Cr-coated Zirc-4 claddings pre- and post-exposure to an ion irradiation environment. The wettability measurements, including static contact angle (contact angle, θ) and average surface roughness (surface roughness, Ra), are introduced for samples of different coating thicknesses (5–30 μm thick). The coatings fabricated by the cold spray of Cr-Al particles to 10 mm × 10 mm × 1.95 mm Zirc-4 substrates. Post fabrication, a Pilgering (cold rolling) process, was applied to finalize the coating thickness and resulted in a significant reduction in surface roughness of initially fabricated rough surfaces. The process produced three distinguished samples 5-μm unpolished (as machined), 5-μm, and 30-μm polished (cold rolled). The measurements are presented for the three surfaces and bare Zirc-4 as a baseline surface. The contact angle analyses were implemented in theoretical models from the literature to predict pool boiling CHF. Pool boiling experiments were conducted to measure the pool boiling CHF values and compare them to the predicted values. Scanning Electron Microscope (SEM) images and Energy Dispersive X-ray Spectroscopy (EDS) analysis was performed to characterize the surfaces for better understanding and interpreting the results. The SEM images showed localized surface damage due to ion irradiation. No recognized change in the measured surface roughness due to ion irradiation. The contact angles of irradiated Cr-coated surfaces are consistently higher (10°) than pre-irradiated surfaces. Decreasing the Cr-coating layer thickness resulted in lower contact angle pre- and post- ion irradiation. The predicted pool boiling CHF using the Kandlikar model is in good agreement with the experimentally measured CHF values within ±12% for all samples.

36 MATERIALS SCIENCE↗

Experimental study for critical heat flux in 2x2 rod bundles at high pressure conditions

Critical heat flux (CHF) phenomena has been a topic of study for over fifty years yet remains a serious concern across industries and especially in water-cooled nuclear reactor design. CHF data in the high-pressure range is limited, and the effects of bundle geometry and non-uniform heat flux profile are challenging to quantify. In this study, CHF experiments were performed in upward flowing water in a 2 × 2 rod bundle with a cosine profile heat flux. Data were collected between 16.5 and 18 MPa at two mass flux conditions with three inlet subcooling conditions. Under these conditions, average CHF was shown to decrease with increasing pressure. However, pressure had less of an effect than decreasing the inlet subcooling or the mass flux, both of which reduce the CHF value considerably. Of interest, correlations that have been developed for lower pressure continued to predict CHF occurrences with moderate accuracy outside their ranges of validity. Nearly all predicted values were within 20% of experimental values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Aerosols are critical for “nowcasting” climate

Here, aerosols are a critical part of the earth’s energy balance and are changing rapidly. Monitoring Earth’s energy budget, clouds and aerosols with a coherent observing system from the ground, air and space, coupled with predictive models is necessary for timely, updated climate ‘nowcasts.’

Gettelman, Andrew [Pacific Northwest National Labo↗

Predicting the superconducting critical temperature in transition metal carbides and nitrides using machine learning

Transition metal carbides and nitrides have unique mechanical and chemical characteristics. At low temperatures many of them also exhibit superconductivity, which can be controlled by substitutions into both the transition metal and carbon/nitrogen sites. To investigate the factors governing the superconducting state, we apply machine learning methods. Here we collected a dataset containing 147 materials, which was used to create a pipeline for predicting their superconducting critical temperature. When this pipeline is applied to a randomly selected test set, it shows a good performance, with of 0.82 and RMSE of 1.9 K. To explore the limits of the machine learning approach, we also use it to predict entire substitution series within the dataset. This represents a realistic test for the predictive models, which can be extremely useful when applied to new substitutions in materials systems. The performance of the pipeline in this case is much more uneven, with good predictions for some series, while for others the model shows minimal predictive power. We discuss possible reasons for these results, as well as methods to estimate the performance of machine learning on new substitution series.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Emergence of deep eutectic solvents (DES): chemistry, preparation, properties, and applications in biorefineries and critical materials

The emergence of renewable deep eutectic solvents (DES) as clean and efficient catalysts and solvents has created new opportunities for lignocellulosic biorefineries and critical material sectors, including chemical, energy, pharmaceutical, textile, and hydrometallurgical industries. This review provides an in-depth overview of DES, covering their chemistry, classifications, preparation methods, processing characteristics, and recyclability, while highlighting their unique attributes and industry relevant applications. Emphasis is placed on the integration of DES into advanced biorefinery systems, focusing on their tunable physicochemical and thermodynamic properties for biomass pretreatment and the production of value-added products. The review explores how DES can be tuned for selective dissolution of biomass components and evaluates production and valorization of DES-derived biochemicals, with attention to lignin extraction mechanisms and conversion of biomass into bioproducts and biofuels. Beyond biorefineries, the scope extends to DES applications in electrochemical energy devices, where they serve as electrolytes, synthesis media for electrode materials, and leaching agents in battery recycling. The multifunctional roles of DES in pharmaceutical, hydrometallurgical, and textile sectors are also explored for contributions to sustainable processing. Finally, the review identifies future research directions, outlining benefits, challenges, and knowledge gaps, for continued industrial development.

09 BIOMASS FUELS↗

A critical review of irradiation-induced changes in reactor pressure vessel steels

A large body of work has been conducted to investigate the embrittlement and degradation of reactor pressure vessel (RPV) steels. This includes experiments on alloys with different compositions, performed in research and test reactors and ion accelerators that span various temperatures, fluxes, and fluences. In this paper, we perform a critical review of the published experimental data and compile experimentally reported values for dislocation loop size/density, precipitate size/density and yield stress into an easily downloadable format that can be used by both experimentalists and modelers. This thorough experimental review is complemented by a brief review of simulation efforts at atomistic and mesoscopic length scales. Finally, this paper highlights key aspects of the behavior of RPV steels under irradiation, identifies gaps or discrepancies in current understanding, and identifies priority future research directions.

36 MATERIALS SCIENCE↗

Sustainable bioleaching of lithium-ion batteries for critical metal recovery: Process optimization through design of experiments and thermodynamic modeling

Recycling spent lithium-ion batteries (LIBs) could alleviate supply risks for critical metals and be less harmful to the environment compared to new production of metals from mining. Developing a cost-effective LIB bioleaching process could be a promising alternative to traditional energy-intensive recycling technologies. Here, this study aimed to optimize bioleaching conditions for maximum economic competitiveness through design of experiments using iterative response surface methodology (RSM), assisted by thermodynamic modeling. The optimal condition was identified as 2.5% pulp density in 75 mM gluconic acid biolixiviant at 55°C for 30 h which could recover 57%–84% of nickel, 71%–86% of cobalt, and 100% of lithium and manganese, yielding a 17%–26% net profit margin. The recommended pulp density and acid concentrations, together with the observed metal solubilization, were supported by thermodynamic modeling predictions. Our study demonstrated that combining RSM with thermodynamic simulations could be a powerful tool for optimizing bioleaching conditions.

60 APPLIED LIFE SCIENCES↗

A critical review and meta-analysis of energy demand, carbon footprint, and other environmental impacts from carbon fiber manufacturing

The demand for carbon fibers and carbon fiber-reinforced polymers (CFRPs) is rapidly growing due to their outstanding mechanical properties and potential to enhance sustainability, particularly for lightweighting applications. However, carbon fibers are typically produced from fossil-based feedstocks, involve energy-intensive processes, and have limited options for sustainable end-of-life management or circularity. Despite these challenges, the energy demand and lifecycle environmental implications of their production remain poorly understood. Here, we conduct a critical literature review and meta-analysis of carbon fiber manufacturing, revealing significant variations in reported energy demand, carbon footprint, and lifecycle inventory data. Our analysis makes two novel contributions. First, we identify key underlying factors driving these variations. Second, we highlight that carbon fiber, far from being a homogeneous product, has grades varying substantially in mechanical properties, end-use markets, energy intensity of manufacturing processes, and therefore environmental impacts—an aspect often underrepresented in life cycle assessments. We assert that current data are insufficient for reliably evaluating environmental impacts, posing a risk of misleading decision-making. Addressing this gap requires new lifecycle inventory datasets clearly incorporating carbon fiber heterogeneity and key influencing factors identified in this study. Additionally, we propose actionable recommendations, including a checklist, to advance sustainability in the carbon fiber sector.

CED↗

Critical review and future prospects for desiccant coated heat exchangers: Materials, design, and manufacturing

Solid desiccant dehumidification is a promising alternative to vapor compression-based air-dehumidification to reduce energy consumption and improve air quality. Desiccant coated heat exchanger (DCHE), as one type of solid desiccant dehumidification system, can improve system performance and efficiency. The thermal performance and moisture removal capability of the DCHE greatly influence its dehumidification performance.The present work aims to critically analyze the designs, materials, and manufacturing methods of heat exchangers used for solid desiccant coating and look into recent developments in regular heat exchangers, potentially deployed as a substrate for DCHE applications. A comprehensive literature review of publications regarding solid desiccant materials, heat exchangers, manufacturing and coating methods, binder materials, and the performance of heat exchangers has been developed. Alternative heat exchangers are described as better options than fin and tube heat exchangers that have been considered thus far for DCHE applications. Additionally, the heat exchanger's manufacturing process and materials over their thermal and mass exchange performance have been analyzed. Despite the widespread use of fin and tube heat exchangers for solid desiccant coating, recent developments in heat exchanger design, and related fields such as manufacturing methods and materials, open the possibilities for their application in solid desiccant dehumidification systems. Lastly, the authors provide their outlook on possible developments of DCHE technology, aiming to increase systems' energy and dehumidification performance.

36 MATERIALS SCIENCE↗

Sustainability perspectives of integrated pulp and paper biorefineries – A systematic critical review

As the pulp and paper industry is impacted by changing product demand trends, an opportunity arises to utilize existing pulp and paper mills (PPMs) and byproduct biomass to produce a wide range of value-added products, i.e., by converting existing PPMs into integrated pulp and paper biorefineries (IPPBs), a form of industrial symbiosis. In addition to the conventional products that a pulp and paper mill produces, IPPBs produce bio-based products that can help generate a new income stream. This paper provides a systematic critical review of IPPBs with a focus on the types of IPPBs and sustainability perspectives. Specifically, this review's objective is to identify and discuss current and emerging types of IPPBs, provide insights into the types of value-added products produced, and the opportunities and barriers they have according to published literature. We reviewed 97 articles and proposed a robust definition for IPPBs. The results show that there is a dominance of studying bioethanol as the main value-added product and black liquor as one of the main feedstocks. Additionally, we found that there are different types of market challenges for bioproducts depending on the conventional product being replaced and that location and policies play a crucial role. This review identified the limited sustainability focus on this topic and the crucial need to invest in new research to more thoroughly cover the environmental, economic, and social impacts of IPPBs.

Biorefinery pathways↗

Sorption of rare-earth elements onto a ligand-associated media for pH-dependent extraction and recovery of critical materials

Toward recovering rare-earth elements, we prepared a solid-phase media that binds and elutes metals for extraction and enrichment. We report the synthesis and methodology for a solid-phase media that exhibits pH-dependent binding of aqueous rare-earth elements. The media shows pH-dependent binding of Nd III and retains efficiency over at least six cycles of binding and elution. Mixed solutions of rare-earth elements demonstrated a preference for mid and heavy rare-earth elements based on thermodynamic binding preferences of the ligand, and selectivity for rare-earth elements over iron and aluminum were observed with coal fly ash leachate. In conclusion, we expect this new recovery method to be a significant step towards aqueous-based extraction and enrichment of critically important rare-earth elements.

01 COAL, LIGNITE, AND PEAT↗

Photon management in silicon photovoltaic cells: A critical review

With the practical efficiency of the silicon photovoltaic (PV) cell approaching its theoretical limit, pushing conversion efficiencies even higher now relies on reducing every type of power loss that can occur within the device. Limiting optical losses is therefore critical and requires effective management of incident photons in terms of how they interact with the device. Ultimately, photon management within a PV cell means engineering the device and constituent materials to maximize photon absorption within the active semiconductor and therefore reduce the number of photons lost through other means, most notably reflection and parasitic absorption. There have been great advancements in the front and the rear side photon management techniques in recent years. This review aims to discuss these advancements and compare the various approaches, not only in terms of increases in photogenerated current, but also their compatibility with different PV cell architectures and potential trade-offs, like increased surface recombination or scalability for high-volume manufacturing. In this review, a comprehensive discussion of a wide variety of the front and the rear side photon management structures are presented with suggestions to improve the already achieved performance further. Here, this review is unique because it not only presents the recent development in photon management techniques, but also offers through analysis of these techniques and pathways to improve further.

14 SOLAR ENERGY↗

Critical role of polymer-ceramic ion exchange for high conductivity composite electrolytes

Polymer-ceramic composites offer a path to enhance the transport and mechanical properties of solid electrolytes. However, an in-depth understanding of the extent and role of ion transport along and across polymer-ceramic interfaces in these systems is lacking. We have recently shown that Li-conducting Li 0.11 Na 0.24 K 0.02 La 0.43 TiO 2.82 (LMTO) nanorods can be prepared by a molten flux method, and the addition of 30–50 weight (wt.)% LMTO to a bis[(trifluoromethyl)sulfonyl]imide-vinyl ethylene carbonate-based single-ion conducting (SIC) polymer electrolyte leads to a two-fold enhancement in Li-ion conductivity, from 1.4 to 3.0 × 10 −5 S/cm at 30 °C. In the present study, we use NMR methods to identify the Li-ion transport pathways and determine the timescale of chemical exchange between the SIC polymer and LMTO ceramic components. Tracer exchange NMR indicates preferential transport through the polymer or polymer-interfacial regions, and exchange spectroscopy (EXSY) and a new isotope exchange method reveal negligible Li exchange between the SIC polymer and LMTO ceramic up to several days. Here, LMTO nanorods act as a passive filler. Our results further highlight that significant (e.g., 10- or 100-fold) conductivity enhancements in composite electrolytes can only be achieved 1) with ionically-conductive fillers, and 2) when both the ceramic and polymer components actively participate in long-range transport. For this, fast interfacial ion exchange is needed. In conclusion, this leads us to introduce a critical interfacial ion exchange time to evaluate whether a filler actively contributes to conduction in a composite electrolyte, and screen for promising polymer-ceramic pairings to accelerate the development of high conductivity solid electrolytes.

Battery, Solid electrolyte↗