Intermediate Transfer Research Articles

Modeling of warm dense hydrogen via explicit real-time electron dynamics: Dynamic structure factors

We present two methods for computing the dynamic structure factor for warm dense hydrogen without invoking either the Born-Oppenheimer approximation or the Chihara decomposition, by employing a wave-packet description that resolves the electron dynamics during ion evolution. First, a semiclassical method is discussed, which is corrected based on known quantum constraints, and second, a direct computation of the density response function within the molecular dynamics. The wave-packet models are compared to PIMC and DFT-MD for the static and low-frequency behavior. For the high-frequency behavior the models recover the expected behavior in the limits of small and large momentum transfers and show the characteristic flattening of the plasmon dispersion for intermediate momentum transfers due to interactions, in agreement with commonly used models for x-ray Thomson scattering. By modeling the electrons and ions on an equal footing, both the ion and free electron part of the spectrum can now be treated within a single framework where we simultaneously resolve the ion-acoustic and plasmon mode, with a self-consistent description of collisions and screening. Published by the American Physical Society 2024

MultiADE: A Multi-domain benchmark for Adverse Drug Event extraction

Objective:Active adverse event surveillance monitors Adverse Drug Events (ADE) from different data sources, such as electronic health records, medical literature, social media and search engine logs. Over the years, many datasets have been created, and shared tasks have been organised to facilitate active adverse event surveillance. However, most—if not all—datasets or shared tasks focus on extracting ADEs from a particular type of text. Domain generalisation—the ability of a machine learning model to perform well on new, unseen domains (text types)—is under-explored. Given the rapid advancements in natural language processing, one unanswered question is how far we are from having a single ADE extraction model that is effective on various types of text, such as scientific literature and social media posts. Methods:We contribute to answering this question by building a multi-domain benchmark for adverse drug event extraction, which we named MultiADE. The new benchmark comprises several existing datasets sampled from different text types and our newly created dataset—CADECv2, which is an extension of CADEC (Karimi et al., 2015), covering online posts regarding more diverse drugs than CADEC. Our new dataset is carefully annotated by human annotators following detailed annotation guidelines. Conclusion:Our benchmark results show that the generalisation of the trained models is far from perfect, making it infeasible to be deployed to process different types of text. In addition, although intermediate transfer learning is a promising approach to utilising existing resources, further investigation is needed on methods of domain adaptation, particularly cost-effective methods to select useful training instances.The newly created CADECv2 and the scripts for building the benchmark are publicly available at CSIRO’s Data Portal (https://data.csiro.au/collection/csiro:62387). These resources enable the research community to further information extraction, leading to more effective active adverse drug event surveillance.

Does working memory training in children need to be adaptive? A randomized controlled trial.

Most cognitive training programs are adaptive, despite limited direct evidence that this maximizes children's outcomes. This randomized controlled trial evaluated working memory training with difficulty of activities presented using adaptive, self-select, or stepwise compared with an active control. At baseline, immediately, and 6-months post-intervention, 201 Australian primary school children (101 males, 7-11 years) completed working memory tests (near and intermediate transfer) and the Raven's Standard Progressive Matrices, and caregivers completed the attention-deficit/hyperactivity disorder-Rating Scale-5 (far transfer). The intervention comprised ten 20-min sessions delivered in class. For each training condition, compared with the active control, there was no evidence of transfer immediately or 6-months post-intervention (negligible to small effects). This trial provides no evidence that adaptive working memory training maximizes children's outcomes.

Innovation and application of inter-provincial carbon emission transfer accounting model in China’s domestic production network

The New Development Paradigm will result in the significant development of domestic production networks and the accelerated growth of carbon transfers among provinces in China. However, the existing value chain or the trade of intermediate goods decomposition method cannot completely account for the carbon content of intermediate goods. So the paper developed a accounting model for inter-regional intermediate goods trade based on input-output model. The most significant advantage of this accounting model is that by further decomposing final output into three components—final consumption within the region, final consumption flowing to other regions, and final output flowing to other regions as intermediate goods that are not returned to the region—it achieves a more comprehensive decomposition of the value chain in comparison to the established models. This approach allows for the tracking of longer value chains and the accounting for intermediate goods inflows and outflows simultaneously. Furthermore, the accounting of trade in intermediate goods can be conducted for any number of countries, regions, and sectors within the input-output system, thereby providing a foundation for the comprehensive accounting of inter-regional carbon transfers within production networks. With the input-output tables and carbon emission inventories from the CEADs (the China Carbon Emissions Accounting Database), the paper has calculated the changes of the carbon transfer among provinces in the China’s domestic production network from 2012 to 2017 and find that the inter-provincial intermediate goods trade and carbon transfer among provinces is increasing significantly. Each province has a strong incentive to overuse the carbon embodied in the intermediate goods from others, but lacks the motivation to reduce their own carbon emission. In the inter-provincial transfer of the carbon content of intermediate goods in China’s domestic production network, the difference between the average value of the ratio of the carbon content of intermediate goods from other provinces used by each province and that supplied for use by other provinces to the ratio of the carbon content of intermediate goods produced by itself increased by 13.6% between 2012 and 2017. Only a few provinces are evolving towards a win-win between economic and environmental benefits, while most are still facing the evolutionary dilemma in choosing between economic and environmental benefits. In the future, we should comprehensively explore the cooperative governance of carbon emission reduction in the domestic production network, including establishing a national standard for calculating the carbon transfer in domestic production network, improving the carbon emission responsibility sharing mechanism and carbon emission reduction compensation systems.

Strong-Coupling Modification of Singlet-Fission Dynamical Pathways.

We investigate theoretically the influence of strong light-matter coupling on the initial steps of the phototriggered singlet-fission process. In particular we focus on intramolecular singlet fission in a TIPS-pentacene dimer derivative described by a vibronic Hamiltonian including the optically active singlet excited states, doubly excited and charge transfer states, as well as the final triplet-triplet pair state. Quantum dynamics simulations of up to four dimers in the cavity indicate that the modified resonance condition imposed by the cavity strongly quenches the passage through the intermediate charge transfer and double-excitation states, thus largely reducing the triplet-triplet yield in the bare system. Subsequently, we modify the system parameters and construct a model Hamiltonian where the optically active singlet excitation lies below the final triplet-triplet state such that the yield of the bare system becomes insignificant. In this case we find that using the upper polariton as the doorway state for photoexcitation can lead to a much enhanced yield. This pathway is operative provided that the system is sufficiently rigid to prevent vibronic losses from the upper polariton to the dark-states manifold.

Unlocking amplified magneto-photocurrent using multi-field manipulation in nonfullerene organic bulk heterojunction systems.

An effective manipulation of polaron pairs (PPs) for realizing amplified magneto-photocurrent (AMPC) is of critical importance toward the development of low power consumption and high-performance organic spin-optoelectronic devices, for instance magneto-photo-volatile memories. By far, it is challenging and there is a lack of method to reach AMPC. The typical magneto-photocurrent due to the light-matter interanion is primarily for unveiling the spin-dependent electron-hole dissociation in organic solar cells. Herein, we achieved an AMPC of ∼140% in nonfullerene organic bulk heterojunction systems at room temperature. We found that the amplification can be effectively triggered by a multi-field to a large number of photogenerated PPs at intermediate charge transfer states. We further postulate that, at steady state, they may experience a cyclic photophysical process due to the triplet-exciton polaron interaction. This study paves the way for the realization of AMPC in the organic spin-optoelectronic system.

Understanding Variations in Ferrate Detection through the ABTS Method in the Presence of Electron-Rich Organic Compounds.

The chromogenic reaction between 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) and ferrate [Fe(VI)] has long been utilized for Fe(VI) content measurement. However, the presence of electron-rich organic compounds has been found to significantly impact Fe(VI) detection using the ABTS method, leading to relative errors ranging from ∼88 to 100%. Reducing substances consumed ABTS•+ and resulted in underestimated Fe(VI) levels. Moreover, the oxidation of electron-rich organics containing hydroxyl groups by Fe(VI) could generate a phenoxyl radical (Ph•), promoting the transformation of Fe(VI) → Fe(V) → Fe(IV). The in situ formation of Fe(IV) can then contribute to ABTS oxidation, altering the ABTS•+:Fe(VI) stoichiometry from 1:1 to 2:1. To overcome these challenges, we introduced Mn(II) as an activator and 3,3',5,5'-tetramethylbenzidine (TMB) as a chromogenic agent for Fe(VI) detection. This Mn(II)/TMB method enables rapid completion of the chromogenic reaction within 2 s, with a low detection limit of approximately 4 nM and a wide detection range (0.01-10 μM). Importantly, the Mn(II)/TMB method exhibits superior resistance to reductive interference and effectively eliminates the impact of phenoxyl-radical-mediated intermediate valence iron transfer processes associated with electron-rich organic compounds. Furthermore, this method is resilient to particle interference and demonstrates practical applicability in authentic waters.

Extended perilune rendezvous method for low Delta-V transition to NRHO for cargo transportation mission to gateway

The construction of Gateway in lunar orbit is planned as a post-ISS mission by NASA, and JAXA is considering a cargo supply mission to provide service. The Near-Rectilinear Halo Orbit (NRHO) is a candidate for a Gateway orbit, and several methods for the transfer trajectory are being researched. The In-Direct Transfer (IDT) has a short transition period of seven days, but the ΔV application is inefficient. The Weak Stability Boundary (WSB) transfer maintains a small ΔV, but the transition takes over 100 days. However, a trajectory intermediate between IDT and WSB has not yet been actively studied. This paper proposes the Extended Perilune Rendezvous Method (EPRM) of intermediate transfer to NRHO. This method reduces ΔV by orbiting in an elliptical lunar orbit for over two weeks. EPRM has several transition methods corresponding to ΔV and transition periods. This paper systematically reveals the transition mechanisms. Moreover, an effective TCM, considering several error types, is presented for an actual mission. Finally, the rendezvous accuracy with Gateway is discussed.

Design update of DEMO BOP for HCPB BB concept with an energy storage system

An option for the Intermediate Coupling Design (ICD) of the European Demonstration Fusion Reactor (DEMO) Balance of Plant (BOP) configuration for Helium-Cooled Pebble Bed (HCPB) Breeding Blanket (BB) concept consists of the Primary Heat Transport System (PHTS), the Intermediate Heat Transfer System (IHTS), using HITEC salt as coolant, equipped with a thermal Energy Storage System (ESS), and the Power Conversion System (PCS). The aforementioned BOP configuration is capable of producing electricity continuously during the pulse time (2 h) and dwell time (10 min) of DEMO plant operation.The present study reports on the current (2023) thermal system design of DEMO HCPB ICD BOP for 12 operational states defined by the DEMO Design Central Team (DCT) in 2021. It was shown that the PCS is able to accommodate all of the 12 operational points defined based on the uncertainties of the energy map, provided that an additional bypass line at the outlet of the Divertor Cassettes (DIV-CAS) Heat Exchanger (HX) towards the low-pressure part of the feedwater line (to the condenser in this investigation) is installed in the system. This line is activated only in the cases, where the feedwater flow to the low temperature DEMO heat sources HXs is needed to be higher than that necessary to remove BB power at the Steam Generators (SGs). In all the other cases, the bypass line remains unused. Additionally, perspective improvements of DEMO HCPB BOP regarding thermal ESS, as well as PCS are discussed.

A Planar-Structured Dinuclear Cobalt(II) Complex with Indirect Synergy for Photocatalytic CO2-to-CO Conversion.

Dinuclear metal synergistic catalysis (DMSC) has been proved an effective approach to enhance catalytic efficiency in photocatalytic CO2 reduction reaction, while it remains challenge to design dinuclear metal complexes that can show DMSC effect. The main reason is that the influence of the microenvironment around dinuclear metal centres on catalytic activity has not been well recognized and revealed. Herein, we report a dinuclear cobalt complex featuring a planar structure, which displays outstanding catalytic efficiency for photochemical CO2-to-CO conversion. The turnover number (TON) and turnover frequency (TOF) values reach as high as 14457 and 0.40 s-1 respectively, 8.6 times higher than those of the corresponding mononuclear cobalt complex. Control experiments and theoretical calculations revealed that the enhanced catalytic efficiency of the dinuclear cobalt complex is due to the indirect DMSC effect between two CoII ions, energetically feasible one step two-electron transfer process by Co2 I,I intermediate to afford Co2 II,II(CO2 2-) intermediate and fast mass transfer closely related with the planar structure.

A Planar‐Structured Dinuclear Cobalt(II) Complex with Indirect Synergy for Photocatalytic CO2‐to‐CO Conversion

Dinuclear metal synergistic catalysis (DMSC) has been proved an effective approach to enhance catalytic efficiency in photocatalytic CO2 reduction reaction, while it remains challenge to design dinuclear metal complexes that can show DMSC effect. The main reason is that the influence of the microenvironment around dinuclear metal centres on catalytic activity has not been well recognized and revealed. Herein, we report a dinuclear cobalt complex featuring a planar structure, which displays outstanding catalytic efficiency for photochemical CO2‐to‐CO conversion. The turnover number (TON) and turnover frequency (TOF) values reach as high as 14457 and 0.40 s‐1 respectively, 8.6 times higher than those of the corresponding mononuclear cobalt complex. Control experiments and DFT calculations revealed that the enhanced catalytic efficiency of the dinuclear cobalt complex is due to the indirect DMSC effect between two CoII ions, energetically feasible one step two‐electron transfer process by Co2I,I intermediate to afford Co2II,II(CO22‐) intermediate and fast mass transfer closely related with the planar structure.

A Mini Review on the Influence of Different Intermediate Mass Transfer Effects on the Chemical Pretreatment of Lignocellulosic Biomass

ABSTRACTChemical pretreatment of lignocellulosic biomass (LCB) in the presence of an alkaline catalyst is one of the major pretreatment processes that recover cellulose, hemicellulose, and lignin at effective process conditions and also for the production of bioethanol. Replacement of conventional catalysts with waste‐derived catalysts in the pretreatment process will be helpful for the development of low‐cost biorefinery. The continuous impact of different mass transfer properties during the chemical pretreatment of LCB will affect the final yield of products at a high reaction time and has been reviewed in the current study. Intraparticle diffusion of an alkaline catalyst into LCB is going to determine the diffusion of the selected catalyst within the porous biomass structure, which helps in the enhancement of the final yield of the product recovery at low‐process conditions. The diffusion of the synthesized catalyst within the selected biomass during the chemical pretreatment process is a rate‐limiting step that influences the final recovery yield of desired products. Enhancement of the biomass pretreatment reaction through the assessment of the diffusivity using the modified Nernst–Einstein relation is also discussed. Determination of different unique mass transfer properties rate of diffusion, diffusivity flux, and mass transfer coefficient are also to be analyzed to advance the reaction rate of the pretreatment process.

High yield electrosynthesis of oxygenates from CO using a relay Cu-Ag co-catalyst system

As a sustainable alternative to fossil fuel-based manufacture of bulk oxygenates, electrochemical synthesis using CO and H2O as raw materials at ambient conditions offers immense appeal. However, the upscaling of the electrosynthesis of oxygenates encounters kinetic bottlenecks arising from the competing hydrogen evolution reaction with the selective production of ethylene. Herein, a catalytic relay system that can perform in tandem CO capture, activation, intermediate transfer and enrichment on a Cu-Ag composite catalyst is used for attaining high yield CO-to-oxygenates electrosynthesis at high current densities. The composite catalyst Cu/30Ag (molar ratio of Cu to Ag is 7:3) enables high efficiency CO-to-oxygenates conversion, attaining a maximum partial current density for oxygenates of 800 mA cm−2 at an applied current density of 1200 mA cm−2, and with 67 % selectivity. The ability to finely control the production of ethylene and oxygenates highlights the principle of efficient catalyst design based on the relay mechanism.

Overview and status of the PIP-II cryogenic system

The Proton Improvement Plan-II (PIP-II) is a major upgrade to the Fermilab accelerator complex, featuring a new 800-MeV Superconducting Radio-Frequency (SRF) linear accelerator (Linac) powering the accelerator complex to provide the world’s most intense high-energy neutrino beam. The PIP-II Linac consists of 23 SRF cryomodules operating at 2 K, 5 K, and 40 K temperature levels supplied by a single helium cryoplant providing 2.5 kW of cooling capacity at 2.0 K. The PIP-II cryogenic system consists of two major systems: a helium cryogenic plant and a cryogenic distribution system. The cryogenic plant includes a refrigerator cold box, a warm compressor system, and helium storage, recovery, and purification systems. The cryogenic distribution system includes a distribution box, intermediate transfer line, and a tunnel transfer line consisting of modular bayonet cans which supply and return cryogens to the cryomodules. A turnaround can is located at the end of the Linac to turnaround cryogenic flows. This paper describes the layout, design, and current status of the PIP-II cryogenic system.

Wafer-Recyclable, Eco-Friendly, and Multiscale Dry Transfer Printing by Transferable Photoresist for Flexible Epidermal Electronics.

Flexible electronics have been of great interest in the past few decades for their wide-ranging applications in health monitoring, human-machine interaction, artificial intelligence, and biomedical engineering. Currently, transfer printing is a popular technology for flexible electronics manufacturing. However, typical sacrificial intermediate layer-based transfer printing through chemical reactions results in a series of challenges, such as time consumption and interface incompatibility. In this paper, we have developed a time-saving, wafer-recyclable, eco-friendly, and multiscale transfer printing method by using a stable transferable photoresist. Demonstration of photoresist with various, high-resolution, and multiscale patterns from the donor substrate of silicon wafer to different flexible polymer substrates without any damage is conducted using the as-developed dry transfer printing process. Notably, by utilizing the photoresist patterns as conformal masks and combining them with physical vapor deposition and dry lift-off processes, we have achieved in situ fabrication of metal patterns on flexible substrates. Furthermore, a mechanical experiment has been conducted to demonstrate the mechanism of photoresist transfer printing and dry lift-off processes. Finally, we demonstrated the application of in situ fabricated electrode devices for collecting electromyography and electrocardiogram signals. Compared to commercially available hydrogel electrodes, our electrodes exhibited higher sensitivity, greater stability, and the ability to achieve long-term health monitoring.

Innovative Catalyst Design of Sea-Urchin-like NiCoP Nanoneedle Arrays Supported on N-Doped Carbon Nanospheres for Enhanced HER Performance.

Hydrogen (H2) stands as a clean energy alternative to fossil fuels, especially within the domain of the hydrogen evolution reaction (HER), offering prospective solutions to mitigate both environmental and energy-related challenges. In this work, we successfully synthesized a sea-urchin-like catalyst, specifically a nickel-cobalt phosphide nanoneedle array on N-doped carbon nanospheres (Ni0.5Co1.5P@NCSs), for efficient HER by a sequential hydrothermal and low-temperature phosphating process. The catalyst exhibits sea-urchin-like structures, offering a specific surface area of 298 m2 g-1 and consequently furnishing a greater abundance of active sites. Comparing with non-sea-urchin-like Ni0.5Co1.5P@CN catalysts, the Ni0.5Co1.5P@NCSs exhibit an overpotential of 163 mV at 10 mA cm-2, a Tafel slope of 60 mV dec-1, and a maintained current density of approximately 90% during 50 h of continuous electrolysis. Experiments demonstrate that the outstanding electrochemical properties of the Ni0.5Co1.5P@NCSs originate from nitrogen doping of carbon spheres, the distinctive morphology of sea-urchin-like nanoneedle arrays, and simultaneous enhancements in intermediate adsorption energy, charge transfer, and electrolyte diffusion channel shortening. This work emphasizes a preparation strategy for synthesizing an attractive electrocatalyst with a low cost and efficient HER performance.

Optimizing location-routing and demand allocation in the household waste collection system using a branch-and-price algorithm

In catering to the rapid development of urbanization and the growing urban population, it is essential to design an efficient and effective household waste collection system for guaranteeing a favorable ecological environment in cities. This paper focuses on a location-routing and demand allocation problem (LRDAP) in the household waste collection system where the household waste is initially allocated and transported to a set of intermediate transfer stations using a category of small garbage vehicles, and subsequently a fleet of large garbage vehicles visits each transfer station and transports the collected household waste to the waste disposal center for harmless treatment. The purpose is to simultaneously determine the location of transfer stations, the demand allocation of household waste collection and the routing plan of garbage vehicles while maximizing the efficiency of household waste collection within the whole system. Then, we formulate the proposed LRDAP into a mixed integer program. To solve our LRDAP, an exact branch-and-price (B&P) algorithm is developed along with several acceleration strategies involving column generation (CG) stabilization and heuristic dynamic programming (DP). Finally, we illustrate the proposed model and solution methodology by dealing with real-world problem instances with respect to household waste collection in China. Computational results are presented that explore the performance of our proposed B&P algorithm, analyze the optimized location-routing and demand allocation plan, discuss the impact of selected parameters, and gain some managerial insights in designing an efficient and effective household waste collection system under different decision-making conditions.

Photoredox-Catalyzed Defluorinative Carboxylation of gem-Difluorostyrenes with Formate Salt.

Herein, we present a transition-metal-free, easy handling protocol for regioselective carboxylation of gem-difluorostyrenes with sodium formate as the C1 source. 30 examples of α-fluoracrylates were obtained in yields of 30 to 80% under these conditions. A defluorinative monofluorovinyl intermediate and consecutive photoinduced electron transfer mechanism were proposed after mechanism investigation.

Colloidal InAs Quantum Dot-Based Infrared Optoelectronics Enabled by Universal Dual-Ligand Passivation.

Solution-processed low-bandgap semiconductors are crucial to next-generation infrared (IR) detection for various applications, such as autonomous driving, virtual reality, recognitions, and quantum communications. In particular, III-V group colloidal quantum dots (CQDs) are interesting as nontoxic bandgap-tunable materials and suitable for IR absorbers; however, the device performance is still lower than that of Pb-based devices. Herein, a universal surface-passivation method of InAs CQDs enabled by intermediate phase transfer (IPT), a preliminary process that exchanges native ligands with aromatic ligands on the CQD surface is presented. IPT yields highly stable CQD ink. In particular, desirable surface ligands with various reactivities can be obtained by dispersing them in green solvents. Furthermore, CQD near-infrared (NIR) photodetectors are demonstrated using solution processes. Careful surface ligand control via IPT is revealed that enables the modulation of surface-mediated photomultiplication, resulting in a notable gain control up to ≈10 with a fast rise/fall response time (≈12/36ns). Considering the figure of merit (FOM), EQE versus response time (or -3dB bandwidth), the optimal CQD photodiode yields one of the highest FOMs among all previously reported solution-processed nontoxic semiconductors comprising organics, perovskites, and CQDs in the NIR wavelength range.

Investigation of Single-Phase Immersion Cooling for Modern Data Centers

Compact servers with a high energy density are the result of the telecommunications industry's rapid advancement. Innovative cooling solutions are required due to the expanding scale of data centers and related cooling needs. Servers in the data center might be cooled via immersion cooling by immersing them in a thermally conductive die electric fluid. In this study, three distinct dielectric liquids were used with variable circulation rates to examine the effectiveness of single-phase immersion cooling with varying heat inputs of 300, 400 and 500 Watts. Deionized water, white mineral oil and propylene glycol were the three dielectric fluids being considered, at circulating rates of 1, 2 and 3 litres per minute. Among the three fluids tested, deionized water consistently outperformed the others by maintaining the lowest outlet temperature across various heat inputs and flow rates. The average heat transfer coefficient for deionized water was calculated as the highest, with a value of 349.29 W/m²·K. Propylene glycol had an intermediate heat transfer coefficient, which was 194.69 W/m²·K, and mineral oil exhibited the lowest heat transfer coefficient at 74.44 W/m²·K.