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At least 811 records · Page 45

Electrically Insulated Catalyst–Ionomer Anode Interfaces toward Durable Alkaline Membrane Electrolyzers

Anion-exchange-membrane water electrolysis (AEMWE) is an emerging technology for scalable hydrogen production. AEMWE has poor durability when operating without supporting electrolyte due to the oxidation of ionomers and membranes in contact with the anode oxygen evolution reaction (OER) catalyst. We report a new “passivated” anode architecture for AEMWE where the OER catalysts and ionomers are physically separated with a thin film amorphous oxide coating that is electrically insulating but conductive to hydroxide ions. We find that 2–3 nm of HfO x passivation layers show sufficient hydroxide ion transport to minimally limit the cell performance while suppressing ionomer degradation with both Ir (500 mA·cm –2 for 40 h) and CoO x (1.0 A·cm –2 for 100 h) model porous-transport-layer-supported catalysts in AEMWE. As a result, this interfacial engineering approach guides electrode design to improve the durability of AEMWE, particularly for systems operating with pure-water feed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural transformation of metal oxo species within UiO-66 type metal–organic frameworks

Studying the coordination of actinide-based metal oxo clusters can provide valuable insights for nuclear energy technologies and radioactive waste containment. Metal–organic frameworks serve as a platform to directly interrogate the structure and properties of understudied actinide elements, including thorium. Examples of structural evolutions within Th oxo species within MOFs are rare yet relevant for nuclear waste speciation in solution. Herein, we report the serendipitous discovery of the structural evolution of Th-UiO-66 containing a hexanuclear Th node to a mononuclear Th(bdc) 2 (dmf) 2 upon the evaporation of solvent from the reaction. We observe a partial reversal of Th(bdc) 2 (dmf) 2 back to Th-UiO-66 upon hydrothermal treatment, indicating the complex dynamics of Th oxo species in solution. As a result, we report that isolated Ce-UiO-66 similarly transforms to a newly isolated 1D Ce III carboxylate chain MOF named NU-351 under the same conditions as Th-UiO-66, while Zr-UiO-66 and Hf-UiO-66 retain their structures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Learning the Temporal Effect in Infrared Thermal Videos With Long Short-Term Memory for Quality Prediction in Resistance Spot Welding

With the advances of sensing technology, in-situ infrared thermal videos can be collected from Resistance Spot Welding (RSW) processes. Each video records the formulation process of a weld nugget. The nugget evolution creates a “temporal effect” across the frames, which can be leveraged for real-time, nondestructive evaluation (NDE) of the weld quality. Currently, quality prediction with imaging data mainly focuses on optical feature extraction with Convolutional Neural Network (CNN) but does not make the most of such temporal effect. In this study, pixels corresponding to critical locations on the weld nugget surface are extracted from a video to form multivariate time series (MTS). Multivariate Adaptive Regression Splines (MARS) is used in MTS processing to remove noisy signals related to uninformative frames. A Stacked Long Short-Term Memory (LSTM) model is developed to learn from the processed MTS and then predicts weld nugget size and thickness in real-time NDE. Results from a case study on RSW of Boron steel demonstrates the improvement in prediction accuracy and computational time with the proposed method, as compared to CNN-based weld quality prediction.

Guo, Shenghan↗

Optimizing spin qubit coherence through materials codesign

The evolution of defect-based spin qubit systems is currently transitioning from fundamental studies and proof-of-concept demonstrations into applications in the burgeoning field of quantum technology. Within this context, new challenges emerge, in particular, the need to understand and engineer the fundamental materials that form the hardware building blocks critical for the scalability and wide-scale adoption of such technologies. While earlier discussions have often focused on qubits within idealized systems, major limitations on spin coherence and optical properties arise from effects imposed by the nonideality of the surrounding host matrix. Decoherence can stem from a variety of sources, including other qubits, nuclear spins, and parasitic point- and extended defects, which interact with the qubit via magnetic and electric fields, photons, phonons, and strain. In this article, we focus on the relevant sources and mechanisms through which decoherence occurs and provide potential mitigation strategies via the synergistic integration of first-principles simulations and materials synthesis and engineering. We aim to provide a tangible link between material properties and material functions thereby enabling materials-by-design.

ab initio simulations↗

Evolution and Development of Effective Feedstock Specifications

The U.S. Department of Energy promotes the production of a range of liquid fuels and fuel blend stocks from lignocellulosic biomass feedstocks by funding fundamental and applied research that advances the state of technology in biomass collection, conversion, and sustainability. As part of its involvement in this program, the Idaho National Laboratory (INL) investigates the feedstock logistics economics and sustainability of these fuels. The 2012 feedstock logistics milestone demonstrated that for high-yield areas that minimize the transportation distances of a low-density, unstable biomass, we could achieve a delivered cost of $35/ton. Based on current conventional equipment and processes, the 2012 logistics design is able to deliver the volume of biomass needed to fulfill the 2012 Renewable Fuel Standard’s targets for ethanol. However, the Renewable Fuel Standard’s volume targets are continuing to increase and are expected to peak in 2022 at 36 billion gallons. Meeting these volume targets and achieving a national-scale biofuels industry will require expansion of production capacity beyond the 2012 Conventional Feedstock Supply Design Case to access diverse available feedstocks, regardless of their inherent ability to meet preliminary biorefinery quality feedstock specifications. Implementation of quality specifications (specs), as outlined in the 2017 Design Case – “Feedstock Supply System Design and Economics for Conversion of Lignocellulosic Biomass to Hydrocarbon Fuels” (in progress), requires insertion of deliberate, active quality controls into the feedstock supply chain, whereas the 2012 Conventional Design only utilizes passive quality controls.

09 BIOMASS FUELS↗

A Qualitative Assessment of Current CCF Guidance Based on a Review of Safety System Digital Implementation Changes with Evolving Technology

The US Nuclear Regulatory Commission (NRC) is initiating a new rulemaking project to develop a digital system common-cause failure (CCF) rule. This rulemaking will review and modify or affirm the NRC's current digital system CCF policy as discussed in the Staff Requirements Memorandum to the Secretary of the Commission, Office of the NRC (SECY) 93-087, Policy, Technical, and Licensing Issues Pertaining to Evolutionary and Advanced Light Water Reactor (ALWR) Designs, and Branch Technical Position (BTP) 7-19, Guidance on Evaluation of Defense-in-Depth and Diversity in Digital Computer-Based Instrumentation and Control Systems, as well as Chapter 7, Instrumentation and Controls, in NRC Regulatory Guide (NUREG)-0800, Standard Review Plan for Review of Safety Analysis Reports for Nuclear Power Plants (ML033580677). The Oak Ridge National Laboratory (ORNL) is providing technical support to the NRC staff on the CCF rulemaking, and this report is one of several providing the technical basis to inform NRC staff members. For the task described in this report, ORNL examined instrumentation and controls (I&C) technology implementations in nuclear power plants in the light of current CCF guidance. The intent was to assess whether the current position on CCF is adequate given the evolutions in digital safety system implementations and, if gaps in the guidance were found, to provide recommendations as to how these gaps could be closed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

FY 2017-Influence of Sodium Environment on the Tensile Properties of Advanced Alloys

This report provides an update on the understanding of the effects of sodium exposures on tensile properties of advanced alloy 709 in support of the design and operation of structural components in sodium-cooled fast reactors (SFRs). The report is a Level 3 deliverable in FY17 (M3AT-17AN1602093), under the Work Package AT-17AN160209, “Sodium Compatibility” performed by Argonne National Laboratory (ANL), as part of Advanced Reactor Technologies Program. Three laboratory-size heats of Alloy 709 austenitic steel were investigated in liquid sodium environments at 550-650°C to understand its corrosion behaviour, microstructural evolution, and tensile properties. In addition, a commercial scale heat has been produced and hot-rolled into plates.

36 MATERIALS SCIENCE↗

Biologically Cooling the Planet: A BRISK Approach that Directly Connects the Ground to Deep Space

Climate change is a grave threat to our ability to thrive and prosper on Earth. Accumulation of greenhouse gases in the atmosphere stifle the Earth’s ability to cool itself, which leads to a rise of the average temperature – Global warming. The planetary cooling is exclusively radiative – thermal radiation escapes into cold outer space via a flux of photons at the low-infrared range. The penetration of these photons through Earth’s atmosphere is dictated by atmospheric transparency, which, serendipitously possesses a window centered around the peak of the Plank spectrum for a black body at about room temperature – the average temperature of Earth. This window spanning about 8 --13 μm wavelengths allows most of the photons in this range to escape into the Cosmos carrying our planet’s heat away. The efficiency of this outer heat flux – and thus planet’s cooling ability – can be controlled via emissivity – a function of wavelength which multiplies the fundamental Plank spectrum of a black body at a given temperature. In the presence of non-trivial atmospheric transparency it can be shown that radiative cooling can be enhanced with properly “designed” emissivity function. For the last 100 years, or so, people have been looking into ways to engineer materials to take advantage of such enhancement for various cooling applications, from making ice to cool clothes, and substantial progress has been achieved, including cooling in direct sunlight. The beauty if this approach is that it is entirely passive – no energy input is required. The objective of this project was to investigate whether biological systems possess such advanced cooling capacity, developed via millennia of evolution, to enhance plant’s adaptation to a hot environment, to increase cooling capability, and possibly modulate spectral emissivities on short or long time scales. We wanted to know if BRISK (Biological Radiative Sky Cooling) occurs and to what extent. It is unknown whether biological systems can perform this "spectral redistribution." It is reasonable to expect, however, that they might: in particular, desert plants under high heat stress and arid conditions might evolve this mechanism in order to maintain a tolerable internal temperature. Our intended approach was twofold: extensive literature search and supporting experimental investigations on select plants. We obtained the answers from the former, while the latter proved to be more complicated to perform with required accuracy in the timespan/budget of a small seedling project. After one year of research, we concluded that among the plant species studied there seem to be no evidence of BRISK, but it’s not the end of the story. Our planet’s biosphere is immense, and the evolution is continuing. With our preliminary results and a better understanding of what to look for further discoveries await, considering the accelerated pace of infrared imaging and spectroscopy technology development, from microscopic to satellite-based studies of plants and canopies. In the end, Earth’s energy balance is ultimately tied to radiative cooling so that further investigation into this problem is directly tied to solving the Climate Change challenge.

54 ENVIRONMENTAL SCIENCES↗

Efficient and choreographed quality-of- service management in dense 6G verticals with high-speed mobility requirements

Future 6G networks are envisioned to support very heterogeneous and extreme applications (known as verticals). Some examples are further-enhanced mobile broadband communications, where bitrates could go above one terabit per second, or extremely reliable and low-latency communications, whose end-to-end delay must be below one hundred microseconds. To achieve that ultra-high Quality-of-Service, 6G networks are commonly provided with redundant resources and intelligent management mechanisms to ensure that all devices get the expected performance. But this approach is not feasible or scalable for all verticals. Specifically, in 6G scenarios, mobile devices are expected to have speeds greater than 500 kilometers per hour, and device density will exceed ten million devices per square kilometer. In those verticals, resources cannot be redundant as, because of such a huge number of devices, Quality-of-Service requirements are pushing the effective performance of technologies at physical level. And, on the other hand, high-speed mobility prevents intelligent mechanisms to be useful, as devices move around and evolve faster than the usual convergence time of those intelligent solutions. New technologies are needed to fill this unexplored gap. Therefore, in this paper we propose a choreographed Quality-of-Service management solution, where 6G base stations predict the evolution of verticals at real-time, and run a lightweight distributed optimization algorithm in advance, so they can manage the resource consumption and ensure all devices get the required Quality-of-Service. Prediction mechanism includes mobility models (Markov, Bayesian, etc.) and models for time-variant communication channels. Besides, a traffic prediction solution is also considered to explore the achieved Quality-of-Service in advance. The optimization algorithm calculates an efficient resource distribution according to the predicted future vertical situation, so devices achieve the expected Quality-of-Service according to the proposed traffic models. An experimental validation based on simulation tools is also provided. Results show that the proposed approach reduces up to 12% of the network resource consumption for a given Quality-of-Service.

42 ENGINEERING↗

Functional Nano-to-Microstructures by Jet Printing and Direct Ink Writing

Jet-based printing techniques and direct ink writing have emerged as complementary, convergent technologies serving as key platforms in additive manufacturing for functional nano- to microscale architectures. This review highlights how these approaches enable fine feature resolution and three-dimensional structures in advanced electronics and biointerfacing applications. The interplay of fluid mechanics, viscoelastic ink rheology, droplet–substrate interactions, and drying dynamics is examined as a critical determinant of printing fidelity. Application-focused case studies, from flexible thin-film transistors to bioprinted artificial tissues, demonstrate how precise structural control via printing translates to enhanced device performance and new functionality in electronic and biological systems. Finally, we discuss the challenges and future opportunities driving the evolution of these printing platforms toward autonomous, adaptive, and intelligent manufacturing systems.

Luo, Junchen [Sichuan Univ. of Arts and Science (C↗

Distribution of defect clusters in the primary damage of ion irradiated 3C-SiC

We report a statistical analysis of sizes and compositions of clusters produced in cascades during irradiation of SiC. The results are obtained using molecular dynamics (MD) simulations of cascades caused by primary knock-on atoms (PKAs) with energies between 10 eV and 50 keV. The results are averaged over six crystallographic directions of the PKA and integrated over PKA energy spectrum derived from the Stopping and Range of Ions in Matter (SRIM) code. Specific results are presented for 1 MeV Kr ion as an example of an impinging particle. We find that distributions of cluster size n for both vacancies and interstitials obey a power law f = A/n S and these clusters are dominated by carbons defects. The fitted values of A and S are different than values reported for metals, which can be explained through different defect energetics and cascade morphology between the two classes of materials. In SiC, the average carbon ratio for interstitial clusters is 91.5%, which is higher than the ratio of C in vacancy clusters, which is 85.3%. Size and composition distribution of in-cascade clusters provide a critical input for long-term defect evolution models.

36 MATERIALS SCIENCE↗

Modeling thermal spike driven reactions at low temperature and application to zirconium carbide radiation damage

The development of TEM-visible damage in materials under irradiation at cryogenic temperatures cannot be explained using classical rate theory modeling with thermally activated reactions since at low temperatures thermal reaction rates are too low. Although point defect mobility approaches zero at low temperature, the thermal spikes induced by displacement cascades enable some atom mobility as it cools. In this work a model is developed to calculate “athermal” reaction rates from the atomic mobility within the irradiation-induced thermal spikes, including both displacement cascades and electronic stopping. The athermal reaction rates are added to a simple rate theory cluster dynamics model to allow for the simulation of microstructure evolution during irradiation at cryogenic temperatures. The rate theory model is applied to in-situ irradiation of ZrC and compares well at cryogenic temperatures. The results show that the addition of the thermal spike model makes it possible to rationalize microstructure evolution in the low temperature regime.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Effects of Synthesis Conditions on the Structure and Conductivity of Hydrogen-Substituted Graphdiyne

This study investigates how synthesis conditions influence the structure and conductivity of hydrogen-substituted graphdiyne (HsGDY). By varying the reaction temperature and solvent, we find that small changes in conditions markedly affect triple-bond retention and electronic continuity. Solid-state 13 C NMR and Raman spectroscopy reveal that elevated temperatures drive alkyne loss and partial graphitization, with N,N-dimethylformamide (DMF) promoting faster degradation than pyridine. The resulting decline in alkyne content directly correlates with reduced conductivity, indicating that preserving conjugation is essential for charge transport. These findings clarify how the synthetic environment governs the structural and electronic evolution of graphdiyne frameworks, providing insight into the controlled preparation of conjugated carbon networks.

alkyne retention↗

On relaxation and transport in gyrokinetic drift wave turbulence with zonal flow

We present a theory for relaxation and transport in phase space for gyrokinetic drift wave turbulence with zonal flow. The interaction between phase space eddys and zonal flows is considered in two different limits, namely for K>>1 and K{approx_equal} 1 where K is the Kubo number. For K>>1, the growth of an isolated coherent phase space structure is calculated, including the associated zonal flow dynamics. For K{approx_equal} 1, mean field relaxation dynamics is considered in the presence of phase space granulations and zonal flows. In both limits, it is shown that the evolution equations for phase space structures are structurally similar to a corresponding Charney-Drazin theorem for zonal momentum balance in a potential vorticity conserving, quasi-geostrophic system. The transport flux in phase space is calculated in the presence of phase space density granulations and zonal flows. The zonal flow exerts a dynamical friction on ion phase space density evolution, which is a fundamentally new zonal flow effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hybrid (Vlasov-Fluid) simulation of ion-acoustic soliton chain formation and validity of Korteweg de-Vries model

The present paper is devoted to simulation of nonlinear disintegration of a localized perturbation into ion-acoustic solitons train in a plasma with hot electrons and cold ions. A Gaussian initial perturbation is used to model the localized perturbation. For this purpose, first, we reduce fluid system of equations to a Korteweg de-Vries equation by the following well-known assumptions. (i) On the ion-acoustic evolution time-scale, the electron velocity distribution function (EVDF) is assumed to be stationary. (ii) The calculation is restricted to small amplitude cases. Next, in order to generalize the model to finite amplitudes cases, the evolution of EVDF is included. To this end, a hybrid code is designed to simulate the case, in which electrons dynamics is governed by Vlasov equation, while cold ions dynamics is, like before, studied by the fluid equations. A comparison between the two models shows that although the fluid model is capable of demonstrating the general features of the process, to have a better insight into the relevant physics resulting from the evolution of EVDF, the use of kinetic treatment is of great importance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Heating system of pellet samples integrated with terahertz spectrometer

This article describes automation of temperature-dependent terahertz spectroscopic experiments. The proposed dual-heater temperature controller based on a cascade proportional-integral-derivative algorithm provides smooth temperature changes in the polyethylene-based pharmaceutical pellet samples. The device has been integrated with a terahertz time-domain spectrometer. Thermodynamic experiments can now be performed without any probe inserted into the measured sample. Selected results of temperature-induced evolution in terahertz spectra are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dispersion and the speed-limited particle-in-cell algorithm

This paper discusses temporally continuous and discrete forms of the speed-limited particle-in-cell (SLPIC) method first treated by Werner et al. [Phys. Plasmas 25, 123512 (2018)]. The dispersion relation for a 1D1V electrostatic plasma whose fast particles are speed-limited is derived and analyzed. By examining the normal modes of this dispersion relation, we show that the imposed speed-limiting substantially reduces the frequency of fast electron plasma oscillations while preserving the correct physics of lower-frequency plasma dynamics (e.g. ion acoustic wave dispersion and damping). We then demonstrate how the timestep constraints of conventional electrostatic particle-in-cell methods are relaxed by the speed-limiting approach, thus enabling larger timesteps and faster simulations. Here, these results indicate that the SLPIC method is a fast, accurate, and powerful technique for modeling plasmas wherein electron kinetic behavior is nontrivial (such that a fluid/Boltzmann representation for electrons is inadequate) but evolution is on ion timescales.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hybrid simulation of fishbone instabilities in the EAST tokamak

Hybrid simulations with the global kinetic-magnetohydrodynamic (MHD) code M3D-K have been carried out to investigate the linear stability and nonlinear dynamics of beam-driven fishbone in the experimental advanced superconducting tokamak (EAST) experiment. Linear simulations show that a low frequency fishbone instability is excited at experimental value of beam ion pressure. The mode is mainly driven by low energy beam ions via precessional resonance. Our results are consistent with the experimental measurement with respect to mode frequency and mode structure. When the beam ion pressure is increased to exceed a critical value, the low frequency mode transits to a beta-induced Alfven eigenmode (BAE) with much higher frequency. This BAE is driven by higher energy beam ions. Nonlinear simulations show that the frequency of the low frequency fishbone chirps up and down with corresponding hole-clump structures in phase space, consistent with the Berk-Breizman theory. In addition to the low frequency mode, the high frequency BAE is excited during the nonlinear evolution. Furthermore, for the transient case of beam pressure fraction where the low and high frequency modes are simultaneously excited in the linear phase, only one dominant mode appears in the nonlinear phase with frequency jumps up and down during nonlinear evolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗