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At least 1,027 records · Page 57

Multi-scale physics of bipolar membranes in electrochemical processes

Bipolar membranes (BPMs) enable control of ion concentrations and fluxes in electrochemical cells suitable for a wide range of applications. Here, in this work, we present the multi-scale physics of BPMs in an electrochemical engineering context and articulate design principles to drive the development of advanced BPMs. The chemistry, structure, and physics of BPMs are illustrated and related to the thermodynamics, transport phenomena, and chemical kinetics that dictate ion and species fluxes and selectivity. These interactions give rise to emergent structure–property–performance relationships that yield design criteria for BPMs that achieve high permselectivity, durability, and voltaic efficiency. The resulting performance trade-offs for BPMs are presented in the context of emerging applications in energy conversion or storage, and environmental remediation. By connecting the fundamental physical phenomena in BPMs to device-level performance and engineering, we aim to facilitate the development of next-generation BPMs for sustainable electrochemical processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nanocomplex made up of antimicrobial metallo-supramolecules and model biomembranes – characterization and enhanced fluorescence

Antimicrobial pentatopic 2,2':6',2"-terpyridines that form 3-D supramolecular hexagonal prisms with Cd 2+ through coordination driven self-assembly can be entrapped by lipid discoidal bicelles, composed of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine, 1,2-dihexanoyl-sn-glycero-3-phosphocholine and 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) lipid, forming a well-defined nanocomplex. Structural characterization performed by very small angle neutron scattering, small angle X-ray scattering and transmission electron microscopy suggests that the hexagonal prisms are preferably located at the rim of bicellar discs with the hexagonal face in parallel with the bilayers, instead of face-to-face stacking. Such a configuration reduces the π–π interaction and consequently enhances the fluorescence emission. Since novel supramolecules were reported to have antibiotic functions, in this work we provide insight into the interactions of antimicrobial supermolecules with lipid membranes, leading to potential theranostic applications.

36 MATERIALS SCIENCE↗

Laser-heated capillary discharge waveguides as tunable structures for laser-plasma acceleration

Laser-heated capillary discharge waveguides are novel, low plasma density guiding structures able to guide intense laser pulses over many diffraction lengths and have recently enabled the acceleration of electrons to 7.8 GeV by using a laser-plasma accelerator (LPA). These devices represent an improvement over conventional capillary discharge waveguides, as the channel matched spot size and plasma density can be tuned independently of the capillary radius. This has allowed the guiding of petawatt-scale pulses focused to small spot sizes within large diameter capillaries, preventing laser damage of the capillary structure. High performance channel-guided LPAs require control of matched spot size and density, which experiments and simulations reported here show can be tuned over a wide range via initial discharge and laser parameters. In this paper, measurements of the matched spot size and plasma density in laser-heated capillary discharges are presented, which are found to be in excellent agreement with simulations performed using the MHD code MARPLE. Strategies for optimizing accelerator performance are identified based on these results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High repetition-rate 0.5 Hz broadband neutron source driven by the Advanced Laser Light Source

Neutron beams are an essential tool to investigate material structure and perform nondestructive analysis, as they give unique access to element composition, thus ideally complementing density analysis allowed by standard x-rays investigation. Laser-driven neutron sources, though compact and cost-effective, currently have lower average flux than conventional neutron sources, due to the limited repetition rate of the lasers used so far. However, advancements in laser technology allow nowadays to address this challenge. Here, we report results obtained at the Advanced Laser Light Source characterizing stable production of broadband (0.1–2 MeV) neutrons produced at a high repetition rate (0.5 Hz). The interaction of laser pulses of 22 fs duration and 3.2 J on-target energy with 2-μm-thick tantalum targets produced protons in the Target Normal Sheath Acceleration (TNSA) regime up to 7.3 MeV. These protons were subsequently converted into neutrons by (p,n) reactions in lithium fluoride (LiF). Activation measurements and bubble detectors were used to characterize neutron emissions, with a neutron fluence of up to ∼1.4×105 neutrons/shot/sr and energies mainly between a few hundred of kilo-electron volt and 2 MeV. The total neutron yield was ∼5×105 neutrons/shot. This paves the way for numerous applications, e.g., in homeland security, materials science, or cultural heritage.

Physics↗

Symmetry breaking as predicted by a phase space Hamiltonian with a spin Coriolis potential

Here, we perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ( 3 CH 2 , 2 CH$^{•}_{3}$, 3 O 2 ) going beyond the Born–Oppenheimer approximation and accounting for nuclear motion. According to a phase space approach that parameterizes electronic states (|Φ⟩) and electronic energies (E) by nuclear position and momentum [i.e., |Φ(R, P)⟩ and E(R, P)], we find that the presence of degenerate spin degrees of freedom leads to broken symmetry ground states. More precisely, rather than a single degenerate minimum at (R, P) = (R min , 0), the ground state energy has two minima at (R,P)=(R' min ,±P min ) (where R' min is close to R min ), dramatically contradicting the notion that the total energy of the system can be written in separable form as E = $\frac{P^2}{2M}$ + V el . Although we find that the broken symmetry solutions have small barriers between them for the small molecules, we hypothesize that the barriers should be macroscopically large for metallic solids, thus offering up a new phase-space potential energy surface for simulating the Einstein–de Haas effect.

Berry connection↗

Nonnuclear Experimental Capabilities to Support Design, Development, and Demonstration of Microreactors

This work provides a summary of selected experimental capabilities being developed to support nonnuclear testing and demonstration of technology in support of microreactors under the U.S. Department of Energy’s (DOE’s) Microreactor Program. Major capabilities include the Single Primary Heat Extraction and Removal Emulator (SPHERE) and the Microreactor Agile Non-nuclear Experimental Test Bed (MAGNET). The SPHERE facility allows for controlled testing of the steady-state and transient heat rejection capabilities of a single heat pipe using electrical heaters that simulate nuclear heating. The facility is capable of monitoring axial temperature profiles along the heat pipe and surrounding test articles during startup, steady-state operation, and transients. Instrumentation includes noncontact infrared thermal imaging, surface thermocouples, spatially distributed fiber optic temperature and strain sensors, electrical power meters, and a water-cooled, gas-gap calorimeter for quantifying heat rejection from the heat pipe. The facility can be operated under both vacuum and inert-gas conditions. The MAGNET facility is a large-scale, 250-kW electrically heated microreactor test bed to enable nonnuclear experimental evaluation of a variety of microreactor concepts. It can be supplied to electrically heat a scaled section of a microreactor and further test the capabilities of heat rejection systems. The initial MAGNET experiments will support technology maturation and reduce uncertainty and risk associated with the design, operation, and deployment of monolithic heat pipe–based reactors. However, this test bed can broadly be applied to multiple microreactor concepts to evaluate a wide range of thermal-hydraulic and structural phenomena such as interface coupling with power conversion units and other collocated systems. MAGNET can evaluate integral thermomechanical effects during electrical heating of an array of heat pipes in a larger test article. Examples of initial testing will include thermal stresses in the monolith and the impact of debonding of a heat pipe from the core block and how that failure could impact surrounding heat pipes, i.e., understanding the potential for cascading failure. This work also discusses some modeling capabilities that can support experiment design, analysis, and interpretation, including the heat pipe code Sockeye and a comparison of thermal-structural simulations performed using ABAQUS and STAR-CCM+.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Evaluation of Corrosion Behavior of Various Fe- and Ni-Based Alloys in Molten Li 2 BeF 4 (FLiBe)

Reliable performance of structural alloys is essential for the successful implementation of Generation-IV fluoride salt–cooled high-temperature reactors (FHRs). Most FHR designs are considering molten salt (2LiF-BeF 2 ), or FLiBe, as a primary coolant or fuel carrier. The main corrosion mechanism for alloys exposed to molten fluoride salts is the selective dealloying of active alloying elements. Alloy composition has a significant effect on their high-temperature mechanical properties, but also affects their corrosion behavior. Although Hastelloy-N and its variants show good corrosion resistance compared to higher Cr-containing Ni- or Fe-based alloys, the mechanical properties of these alloys degrade quickly at temperatures above ~600°C. Twelve Ni-based or Fe-based alloys were selected due to their high temperature stability or their low Cr alloy composition and tested for their corrosion behavior in FLiBe. The results show that the mode and the extent of alloy degradation by selective dissolution mechanism corelates well with the overall alloy composition, and not just the concentration of active elements. It was found that there was good correlation between weight loss of the tested alloys and the ratio of major active elements (Cr, Mn) to that of the more noble alloying elements (Ni, Mo).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The structure of dissipative dark matter halos

Dissipative dark matter self-interactions can affect halo evolution and change its structure. We perform a series of controlled N-body simulations to study impacts of the dissipative interactions on halo properties. The interplay between gravitational contraction and collisional dissipation can significantly speed up the onset of gravothermal collapse, resulting in a steep inner density profile. For reasonable choices of model parameters controlling the dissipation, the collapse timescale can be a factor of 10–100 shorter than that predicted in purely elastic self-interacting dark matter. The effect is maximized when energy loss per collision is comparable to characteristic kinetic energy of dark matter particles in the halo. Our simulations provide guidance for testing the dissipative nature of dark matter with astrophysical observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Challenges and Possible Solutions in Aeroelastic Modeling for the Distributed Wind Industry

Aeroelastic modeling (AM) is the primary methodology for structural and performance assessment of any wind turbine; it provides an understanding of the impact of design parameters on turbine loading and power response before witnessing it in the field. Despite these advantages, the use of AM in the distributed wind technology (DWT) sector is limited. This article represents a short summary of an in-depth assessment by the authors of the status of AM and its role within the distributed wind technology design standards. The research gathered input and feedback from a large number of U.S. and international stakeholders, reviewed technical strengths and weaknesses of the current edition of the design standards, analyzed the minutes from recent industry workshops and meetings, collected publicly available AM templates, and provided an evaluation of the existing AM codes. Several goals were achieved including providing strategies for the load assessment categorization of turbines based on rotor swept area and archetype, and guidance for AM verification and validation. Recommendations within this study will advance the value and the ease-of-use of AM, thereby allowing the industry to better capitalize this underutilized tool, resulting in a more efficient design process, an easier path to certification, and overall better and more reliable distributed wind technology products.

17 WIND ENERGY↗

Subsea permafrost carbon stocks and climate change sensitivity estimated by expert assessment

The continental shelves of the Arctic Ocean and surrounding seas contain large stocks of organic matter (OM) and methane (CH4), representing a potential ecosystem feedback to climate change not included in international climate agreements. We performed a structured expert assessment with 25 permafrost researchers to combine quantitative estimates of the stocks and sensitivity of organic carbon in the subsea permafrost domain (i.e. unglaciated portions of the continental shelves exposed during the last glacial period). Experts estimated that the subsea permafrost domain contains ~560 gigatons carbon (GtC; 170–740, 90% confidence interval) in OM and 45 GtC (10–110) in CH 4 . Current fluxes of CH 4 and carbon dioxide (CO 2 ) to the water column were estimated at 18 (2–34) and 38 (13–110) megatons C yr –1 , respectively. Under Representative Concentration Pathway (RCP) RCP8.5, the subsea permafrost domain could release 43 Gt CO 2 – equivalent (CO 2 e) by 2100 (14–110) and 190 Gt CO 2 e by 2300 (45–590), with ~30% fewer emissions under RCP2.6. The range of uncertainty demonstrates a serious knowledge gap but provides initial estimates of the magnitude and timing of the subsea permafrost climate feedback.

54 ENVIRONMENTAL SCIENCES↗

Model-based, in-situ, non-destructive qualification and certification of parts made by autonomous additive manufacturing

To address the significant productivity challenges associated with the qualification and certification (Q&C) tasks of additively manufactured (AM) parts, which have traditionally relied on rigorous post‐build inspection and testing, we propose an integrated framework that combines model‐based qualification and certification (MBQ&C) with autonomous additive manufacturing (AAM). MBQ&C employs high‐fidelity predictive models, developed within the Integrated Computational Materials Engineering (ICME) paradigm, to simulate process–structure–property–performance relationships for assessing a part’s fitness for use. Since predictive models are commonly machine learning (ML)-based or reduced-order surrogates of validated physics models, they run efficiently, enabling timely inference. In parallel, the self-driving AAM utilises ML-based adaptive, closed‐loop control strategies to avoid, mitigate, or repair defects and anomalies during fabrication, thereby increasing the likelihood of producing acceptable parts. A key feature of the combined AAM-MBQ&C framework is that predictive models explicitly incorporate defects or anomalies that persist after the build, using instance-specific data captured via in-situ sensing. This customisation enables a build‐specific assessment of fitness for use, rather than relying on nominal or generic parameters. Such individualised evaluation provides a robust basis for Q&C-related acceptance decisions relating to each build. Additionally, the rapid solution capabilities of ML or reduced-order models enable the determination of a part’s suitability for service shortly after build completion. As the framework matures, it has the potential to substantially reduce reliance on conventional point‐design approaches—such as time‐consuming post‐build computed tomography scanning and costly destructive testing. Thus, the AAM-MBQ&C framework represents a transformative, scalable strategy for quality assurance of AM components, as parts produced within a stable, validated, and certified envelope can be certified with reduced testing. Key benefits include: (1) significant gains in Q&C productivity through efficient, model-centric assessment; (2) performance-based classification of defects into critical and non-critical categories; (3) the ability to predict potential deviations in the performance of parts affected by real-time, adaptive process control interventions relative to those produced under a certified process, and (4) the enabling of virtual Q&C for service environments that are difficult, hazardous, or impractical to access or reproduce experimentally. Collectively, these capabilities strengthen the business case for AM, particularly for high‐consequence and mission‐critical applications. Finally, although this work focuses on powder-based AM, the proposed techniques could be extended to AM processes employing alternative feedstock forms.

Gunasegaram, Dayalan↗

Irradiation damage concurrent challenges with RAFM and ODS steels for fusion reactor first-wall/blanket: a review

Reduced activation ferritic martensitic (RAFM) and oxide dispersion strengthened (ODS) steels are the most promising candidates for fusion first-wall/blanket (FW/B) structures. The performance of these steels will deteriorate during service due to neutron damage and transmutation-induced gases, such as helium/hydrogen, at elevated operating temperatures. Here, after highlighting the operating conditions of fusion reactor concepts and a brief overview, the main irradiation-induced degradation challenges associated with RAFM/ODS steels are discussed. Their long-term degradation scenarios such as (a) low-temperature hardening embrittlement (LTHE)—including dose-temperature dependent yield stress, tensile elongations, necking ductility, test temperature effect on hardening, Charpy impact ductile-to-brittle transition temperature and fracture toughness, (b) intermediate temperature cavity swelling, (c) the effect of helium on LTHE and cavity swelling, (d) irradiation creep and (e) tritium management issues are reviewed. The potential causes of LTHE are discussed, which highlights the need for advanced characterisation techniques. The mechanical properties, including the tensile/Charpy impact of RAFM and ODS steels, are compared to show that the current generation of ODS steels also suffers from LTHE, and shows irradiation hardening up to high temperatures of ~400 °C–500 °C. To minimise this, future ODS steel development for FW/B-specific application should target materials with a lower Cr concentration (to minimise α'), and minimise other elements that could form embrittling phases under irradiation. RAFM steel-designing activities targeting improvements in creep and LTHE are reviewed. The need to better understand the synergistic effects of helium on the thermo-mechanical properties in the entire temperature range of FW/B is highlighted. Because fusion operating conditions will be complex, including stresses due to the magnetic field, primary loads like coolant pressure, secondary loads from thermal gradients, and due to spatial variation in damage levels and gas production rates, an experimentally validated multiscale modelling approach is suggested as a pathway to future reactor component designing such as for the fusion neutron science facility.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Opacities of singly and doubly ionized neodymium and uranium for kilonova emission modeling

ABSTRACT Even though the electromagnetic counterpart AT2017gfo to the binary neutron star merger GW170817 is powered by the radioactive decay of r-process nuclei, only few tentative identifications of light r-process elements have been made so far. One of the major limitations for the identification of heavy nuclei is incomplete or missing atomic data. While substantial progress has been made on lanthanide atomic data over the last few years, for actinides there has been less emphasis, with the first complete set of opacity data only recently published. We perform atomic structure calculations of neodymium (Z = 60) as well as the corresponding actinide uranium (Z = 92). Using two different codes [flexible atomic code (fac) and hartree–fock-relativistic (hfr)] for the calculation of the atomic data, we investigate the accuracy of the calculated data (energy levels and electric dipole transitions) and their effect on kilonova opacities. For the fac calculations, we optimize the local central potential and the number of included configurations and use a dedicated calibration technique to improve the agreement between theoretical and available experimental atomic energy levels (AELs). For ions with vast amounts of experimental data available, the presented opacities agree quite well with previous estimations. On the other hand, the optimization and calibration method cannot be used for ions with only few available AELs. For these cases, where no experimental nor benchmarked calculations are available, a large spread in the opacities estimated from the atomic data obtained with the various atomic structure codes is observed. We find that the opacity of uranium is almost double the neodymium opacity.

Flörs, A. (ORCID:0000000320242819)↗

Enhancing superconductivity of Y 5 Rh 6 Sn 18 by atomic disorder

Here, we investigate the effect of enhancement of superconducting transition temperature $T_c$ by nonmagnetic atom disorder in the filled skutterudite-related tetragonal Y 5 Rh 6 Sn 18 compound doped with Ca. We documented experimentally that Y 5 Rh 6 Sn 18 and its Ca-doped alloys are electronically inhomogeneous at the nanoscale, when Ca content is smaller than ~1.5 in the Y 5– x Ca x Rh 6 Sn 18 system, while for $\textit{x}$ ≥ 1.5 much stronger chemical phase inhomogeneity is observed with an about 20% volume fraction of the second 3:4:13 cubic phase, which we interpret as a fluctuation of stoichiometry within the bulk sample. Then the enhancement of $T_c$ vs $\textit{x}$ could be modeled by a mechanism proposed in recent theoretical reports for increasing the mean-field transition temperature $T_c$ in the presence of nonmagnetic disorder. The increase in disorder with doping increases the sample inhomogeneity and causes a systematic increase in $T_c$, while for two-phase $\textit{x}$ ≥ 1.5 samples the critical temperature $T^{\star}_c ≈ 2 × T_c$ rapidly increases. Based on band structure calculations performed under pressure, we demonstrate how the change in density of states would affect $T_c$ of Y 5 Rh 6 Sn 18 . We obtained the Grüneisen parameter $γ_G$ larger for the inhomogeneous phase with respect to $γ_G$ of the bulk $T_c$ phase and attribute the enhancement of $T_c$ to larger stiffening of the high-temperature $T^{\star}_c$ phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Emergence of Intermediate Range Order in Jammed Packings

We perform a structural analysis of large scale jammed packings of monodisperse, frictionless and frictional spheres to elucidate structural signatures of the static structure factor in the low-to-intermediate wave number region. We employ discrete element method simulations containing up to 8×10^{7} particles, in which the particle friction coefficient(s), including sliding, rolling, and twisting interactions, are varied. At intermediate wave number values, corresponding to length scales that lie between that of the nearest neighbor primary peak and the system size, we find the emergence of a prepeak-a signature of intermediate range order-that grows with increasing friction. We correlate the emergence of this peak to real space fluctuations in the local particle coordination number, which exhibits a grainy fluctuating field throughout the packing process that is retained in the final, mechanically stable state. While the formation of the prepeak shows varying degrees of robustness to packing protocol changes, our results suggest that preparation history may be used to construct packings with variable large length scale structural properties.

Monti, Joseph M↗

Beamline K11 DIAD: a new instrument for dual imaging and diffraction at Diamond Light Source

The Dual Imaging and Diffraction (DIAD) beamline at Diamond Light Source is a new dual-beam instrument for full-field imaging/tomography and powder diffraction. This instrument provides the user community with the capability to dynamically image 2D and 3D complex structures and perform phase identification and/or strain mapping using micro-diffraction. The aim is to enable in situ and in operando experiments that require spatially correlated results from both techniques, by providing measurements from the same specimen location quasi-simultaneously. Using an unusual optical layout, DIAD has two independent beams originating from one source that operate in the medium energy range (7–38 keV) and are combined at one sample position. Here, either radiography or tomography can be performed using monochromatic or pink beam, with a 1.4 mm × 1.2 mm field of view and a feature resolution of 1.2 µm. Micro-diffraction is possible with a variable beam size between 13 µm × 4 µm and 50 µm × 50 µm. One key functionality of the beamline is image-guided diffraction, a setup in which the micro-diffraction beam can be scanned over the complete area of the imaging field-of-view. This moving beam setup enables the collection of location-specific information about the phase composition and/or strains at any given position within the image/tomography field of view. The dual beam design allows fast switching between imaging and diffraction mode without the need of complicated and time-consuming mode switches. Real-time selection of areas of interest for diffraction measurements as well as the simultaneous collection of both imaging and diffraction data of (irreversible) in situ and in operando experiments are possible.

36 MATERIALS SCIENCE↗

Design of a 100 kW Surface Permanent Magnet Machine with Wide Constant Power Speed Ratio for Traction Applications

Surface permanent magnet (SPM) machines are considered to be strong candidates for traction applications due to their high power density and high efficiency. By adopting fractional-slot concentrated windings, SPM machines can achieve a wide constant power speed range. A carbon fiber sleeve is applied to ensure the retainment of the magnets at high speed operating conditions. The purpose of this paper is to present the design of a high speed SPM machine for traction applications with 25 kW/Liter active power density and a wide constant-power speed range that is consistent with guidelines and targets presented in the Electrical and Electronics Technical Team Roadmap published by the US Department of Energy. The predicted electromagnetic performance and structural characteristics are presented based on both analytical and FEA results.

42 ENGINEERING↗

Nondestructive Damage Detection of Concrete With Alkali-Silica Reactions Using Coda Wave and Anomaly Detection

An anomaly detection model for early damage detection for concrete structures undergoing alkali-silica reaction (ASR) is presented. It is difficult to detect ASR initiation and early damage without a reference expansion measurement. Coda waves, or the multiply scattered portion of ultrasonic waves, have been found to be indicative of small changes in complex material such as concrete. The relationship between concrete damage and relative velocity change and decorrelation of coda waves has been studied, but a generalized model which detects when damage occurs in a concrete structure is still lacking. The presented method uses features extracted from coda waves to detect early damage in concrete structures. The model uses unsupervised learning and only requires data from undamaged structures for training. During the training process, the reconstruction error of the training data is minimized. When the data collected from damaged concrete structures is used as an input of the model, it returns high reconstruction errors that indicate the occurrence of damage in the structures. The performance of the model is validated using experimental studies and has been shown to generalize across two different ASR specimens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗